0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 C#CCSc1cccnc1 62a_100000038162_100000210063 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 C#CCSc1ccncc1 62a_100000038162_100000728582 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.17 CCCCc1cnnnc1 271570a_100020621405_100009846058 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.17 CCCSc1ccncn1 62a_100000210303_100000703185 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.17 CCCSc1ccncn1 62a_100000703185_100000210303 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.17 CCCSc1ncccn1 62a_100000210303_100000211032 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.17 CCCSc1ncccn1 62a_100000211032_100000210303 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.17 CCNCc1ncccn1 2230a_100015525214_100000703007 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.17 CCNCc1ncccn1 270004a_100015525214_100011532527 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|2,0,0]=2 97 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|2,0,0]=2 98 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.17 CCSCc1ncccn1 62a_100000210202_100000703007 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.17 CCSCc1ncccn1 62a_100000703007_100000210202 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|2,0,0]=2 113 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|2,0,0]=2 114 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|2,0,0]=2 115 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|2,0,0]=2 116 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|3,0,0]=3 118 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|2,0,0]=2 126 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|3,0,0]=3 130 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|3,0,0]=3 134 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|3,0,0]=3 135 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,0,0,0,0|4,0,0]=4 138 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|2,0,0]=2 142 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|2,0,0]=2 143 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|3,0,0]=3 145 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|3,0,0]=3 147 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|3,0,0]=3 148 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|3,0,0]=3 154 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|3,0,0]=3 157 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,0,0,0,0|4,0,0]=4 158 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,0,0,0,0|4,0,0]=4 159 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,0,0,0,0|4,0,0]=4 160 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,0,0,0,0,0|4,0,0]=4 163 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|2,0,0]=2 164 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|2,0,0]=2 166 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,0,0,0,0,0|3,0,0]=3 167 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,0,0,0,0,0|3,0,0]=3 168 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,0,0,0,0,0|3,0,0]=3 169 B10R1.17 FCCOc1ccnnc1 34a_100015204005_100011217306 [0,0,0,0,0,0|4,0,0]=4 170 B10R1.17 FCCOc1cncnc1 7a_100000754086_100011217306 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|2,0,0]=2 172 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|2,0,0]=2 173 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,0,0,0,0|3,0,0]=3 175 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,0,0,0,0,0|3,0,0]=3 176 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,0,0,0,0,0|3,0,0]=3 177 B10R1.17 FCCSc1cccnn1 62a_100011217306_100016991348 [0,0,0,0,0,0|4,0,0]=4 178 B10R1.17 FCCSc1cccnn1 62a_100016991348_100011217306 [0,0,0,0,0,0|4,0,0]=4 179 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,0,0,0,0,0|3,0,0]=3 180 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,0,0,0,0,0|3,0,0]=3 181 B10R1.17 FCCSc1ccncn1 62a_100000703185_100011217306 [0,0,0,0,0,0|4,0,0]=4 182 B10R1.17 FCCSc1ccncn1 62a_100011217306_100000703185 [0,0,0,0,0,0|4,0,0]=4 183 B10R1.17 FCCSc1ccnnc1 62a_100000732662_100011217306 [0,0,0,0,0,0|4,0,0]=4 184 B10R1.17 FCCSc1ccnnc1 62a_100011217306_100000732662 [0,0,0,0,0,0|4,0,0]=4 185 B10R1.17 FCCSc1cnccn1 62a_100000211759_100011217306 [0,0,0,0,0,0|4,0,0]=4 186 B10R1.17 FCCSc1cnccn1 62a_100011217306_100000211759 [0,0,0,0,0,0|4,0,0]=4 187 B10R1.17 FCCSc1cncnc1 62a_100011206942_100011217306 [0,0,0,0,0,0|4,0,0]=4 188 B10R1.17 FCCSc1cncnc1 62a_100011217306_100011206942 [0,0,0,0,0,0|4,0,0]=4 189 B10R1.17 FCCSc1ncccn1 62a_100000211032_100011217306 [0,0,0,0,0,0|4,0,0]=4 190 B10R1.17 FCCSc1ncccn1 62a_100011217306_100000211032 [0,0,0,0,0,0|4,0,0]=4 191 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|2,0,0]=2 192 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|2,0,0]=2 193 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|2,0,0]=2 194 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|2,0,0]=2 195 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|2,0,0]=2 196 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,0|3,0,0]=3 197 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,0|3,0,0]=3 198 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,0|3,0,0]=3 199 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,0|3,0,0]=3 200 B10R1.17 FCSCc1cccnn1 62a_100015361967_100016990269 [0,0,0,0,0,0|4,0,0]=4 201 B10R1.17 FCSCc1cccnn1 62a_100016990269_100015361967 [0,0,0,0,0,0|4,0,0]=4 202 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,0|3,0,0]=3 203 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,0|3,0,0]=3 204 B10R1.17 FCSCc1cnccn1 62a_100015361967_100016995436 [0,0,0,0,0,0|4,0,0]=4 205 B10R1.17 FCSCc1cnccn1 62a_100016995436_100015361967 [0,0,0,0,0,0|4,0,0]=4 206 B10R1.17 FCSCc1cncnc1 62a_100015196519_100015361967 [0,0,0,0,0,0|4,0,0]=4 207 B10R1.17 FCSCc1cncnc1 62a_100015361967_100015196519 [0,0,0,0,0,0|4,0,0]=4 208 B10R1.17 FCSCc1ncccn1 62a_100000703007_100015361967 [0,0,0,0,0,0|4,0,0]=4 209 B10R1.17 FCSCc1ncccn1 62a_100015361967_100000703007 [0,0,0,0,0,0|4,0,0]=4 210 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|2,0,1]=3 211 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [0,0,0,0,0,0|3,0,1]=4 212 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|2,0,1]=3 213 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|2,0,1]=3 214 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [0,0,0,0,0,0|3,0,1]=4 215 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [0,0,0,0,0,0|3,0,1]=4 216 B10R1.17 N#CCSc1cccnc1 62a_100000210063_100011215382 [0,0,0,0,0,0|3,0,1]=4 217 B10R1.17 N#CCSc1cccnc1 62a_100011215382_100000210063 [0,0,0,0,0,0|3,0,1]=4 218 B10R1.17 N#CCSc1ccncc1 62a_100000728582_100011215382 [0,0,0,0,0,0|3,0,1]=4 219 B10R1.17 N#CCSc1ccncc1 62a_100011215382_100000728582 [0,0,0,0,0,0|3,0,1]=4 220 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|1,0,2]=3 221 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|1,0,2]=3 222 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|1,0,2]=3 223 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,0|2,0,2]=4 224 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,0|2,0,2]=4 225 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,0|2,0,2]=4 226 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|1,0,2]=3 227 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|1,0,2]=3 228 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|2,0,2]=4 229 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|2,0,2]=4 230 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,0|2,0,2]=4 231 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,0|2,0,2]=4 232 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,0|2,0,2]=4 233 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,0|2,0,2]=4 234 B10R1.17 OCCCN1CC=CCC1 2230a_100000698166_100000230001 [0,0,0,0,0,0|1,0,3]=4 235 B10R1.17 OCCCN1CC=CCC1 269982a_100000698166_100011215043 [0,0,0,0,0,0|1,0,3]=4 236 B10R1.17 OCCCN1CC=CCC1 34a_100000698166_100000230001 [0,0,0,0,0,0|1,0,3]=4 237 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|1,0,0]=1 238 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [0,0,0,0,0,0|3,0,0]=3 239 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [0,0,0,0,0,0|3,0,0]=3 240 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [0,0,0,0,0,0|3,0,0]=3 241 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [0,0,0,0,0,0|3,0,0]=3 242 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|1,0,0]=1 243 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|1,0,0]=1 244 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,0,0,0,0|2,0,0]=2 245 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,0,0,0,0|2,0,0]=2 246 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,0,0,0,0,0|2,0,0]=2 247 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [0,0,0,0,0,0|3,0,0]=3 248 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [0,0,0,0,0,0|3,0,0]=3 249 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|1,0,0]=1 250 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|1,0,0]=1 251 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,0|2,0,0]=2 252 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,0|2,0,0]=2 253 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,0,0,0,0|2,0,0]=2 254 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,0,0,0,0|2,0,0]=2 255 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [0,0,0,0,0,0|3,0,0]=3 256 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [0,0,0,0,0,0|3,0,0]=3 257 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,0,0,0,0,0|2,0,0]=2 258 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,0,0,0,0,0|2,0,0]=2 259 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [0,0,0,0,0,0|3,0,0]=3 260 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [0,0,0,0,0,0|3,0,0]=3 261 B10R1.17 OCCSc1ccnnc1 62a_100000211926_100000732662 [0,0,0,0,0,0|3,0,0]=3 262 B10R1.17 OCCSc1ccnnc1 62a_100000732662_100000211926 [0,0,0,0,0,0|3,0,0]=3 263 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [0,0,0,0,0,0|3,0,0]=3 264 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [0,0,0,0,0,0|3,0,0]=3 265 B10R1.17 OCCSc1cncnc1 62a_100000211926_100011206942 [0,0,0,0,0,0|3,0,0]=3 266 B10R1.17 OCCSc1cncnc1 62a_100011206942_100000211926 [0,0,0,0,0,0|3,0,0]=3 267 B10R1.17 OCCSc1cnnnc1 62a_100000211926_100009846058 [0,0,0,0,0,0|4,0,0]=4 268 B10R1.17 OCCSc1cnnnc1 62a_100009846058_100000211926 [0,0,0,0,0,0|4,0,0]=4 269 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [0,0,0,0,0,0|3,0,0]=3 270 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [0,0,0,0,0,0|3,0,0]=3 271 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|2,0,0]=2 272 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|2,0,0]=2 273 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|3,0,0]=3 274 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|2,0,0]=2 275 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|2,0,0]=2 276 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|3,0,0]=3 277 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|3,0,0]=3 278 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|3,0,0]=3 279 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,0,0,0,0,0|4,0,0]=4 280 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [0,0,0,0,0,0|4,0,0]=4 281 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|2,0,0]=2 282 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|2,0,0]=2 283 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|3,0,0]=3 284 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|3,0,0]=3 285 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|3,0,0]=3 286 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|3,0,0]=3 287 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|3,0,0]=3 288 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|3,0,0]=3 289 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|3,0,0]=3 290 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|3,0,0]=3 291 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|0,0,3]=4 292 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|0,0,2]=3 293 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|1,0,2]=4 294 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|1,0,2]=4 295 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|1,0,2]=4 296 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|1,0,0]=2 297 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|1,0,0]=2 302 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|1,0,0]=2 303 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|2,0,0]=3 305 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [1,0,0,0,0,0|3,0,0]=4 307 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|1,0,0]=2 309 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|1,0,0]=2 310 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|2,0,0]=3 311 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|2,0,0]=3 312 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|2,0,0]=3 314 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|2,0,0]=3 317 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|2,0,0]=3 318 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [1,0,0,0,0,0|3,0,0]=4 319 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.8 CCSc1ccnnc1 62a_100000210202_100000732662 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.8 CCSc1ccnnc1 62a_100000732662_100000210202 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.8 CCSc1cncnc1 62a_100000210202_100011206942 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.8 CCSc1cncnc1 62a_100011206942_100000210202 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,0]=2 329 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,0]=2 330 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,0]=2 331 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,0]=2 332 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,0]=2 333 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,0]=2 334 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,0]=2 335 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,0]=3 340 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,0]=3 343 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,0]=3 344 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,0]=3 345 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|3,0,0]=4 347 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|3,0,0]=4 348 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|3,0,0]=4 349 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [1,0,0,0,0,0|3,0,0]=4 358 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [1,0,0,0,0,0|3,0,0]=4 359 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|1,0,0]=2 367 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|1,0,0]=2 368 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|1,0,0]=2 369 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|2,0,0]=3 370 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|2,0,0]=3 371 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|1,0,0]=2 376 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|1,0,0]=2 377 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|2,0,0]=3 378 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|2,0,0]=3 379 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|2,0,0]=3 380 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|2,0,0]=3 381 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|2,0,0]=3 384 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|2,0,0]=3 385 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,0|3,0,0]=4 386 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,0,0,0,0,0|3,0,0]=4 391 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,0]=3 392 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,0]=3 393 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,0]=3 394 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,0,0,0,0,0|3,0,0]=4 395 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,0]=3 398 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,0]=3 399 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,0]=2 406 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,0]=2 407 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|1,0,0]=2 410 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|1,0,0]=2 411 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|1,0,0]=2 412 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|1,0,0]=2 413 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|2,0,0]=3 416 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|2,0,0]=3 417 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,0|3,0,0]=4 418 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,0|3,0,0]=4 419 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|2,0,0]=3 420 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|2,0,0]=3 421 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [1,0,0,0,0,0|3,0,0]=4 424 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,0,0,0,0,0|3,0,0]=4 427 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,1,0,0,0,0|2,0,1]=4 434 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|2,0,1]=4 479 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.1 CCCCc1cnc(nc1)Br 271570a_100020621405_200012349914 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.1 CCCCc1cnc(nc1)F 271570a_100020621405_100000685262 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.1 CCCCc1cnc(nc1)N 271570a_100020621405_100000760574 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.1 CCCSc1cc[n+](cc1)[O-] 62a_100000210303_100000039755 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|2,0,0]=3 566 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.1 CCCSc1ccc(nc1)Br 62a_100000210303_100009814638 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.1 CCCSc1ccc(nc1)Br 62a_100009814638_100000210303 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.1 CCCSc1ccc(nc1)F 62a_100000042367_100000210303 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.1 CCCSc1ccc(nc1)F 62a_100000210303_100000042367 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.1 CCCSc1ccc(nc1)N 62a_100000187370_100000210303 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.1 CCCSc1ccc(nc1)N 62a_100000210303_100000187370 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100009817727_100000210202 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.1 CCNCc1ccc(nc1)Br 2230a_100015525214_100009831999 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.1 CCNCc1ccc(nc1)Br 34a_100009817727_100000210202 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210202 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.1 CCNCc1ccc(nc1)Cl 2230a_100015525214_100000735431 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.1 CCNCc1ccc(nc1)Cl 34a_100000735879_100000210202 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.1 CCNCc1ccc(nc1)F 2230a_100000101913_100000210202 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.1 CCNCc1ccc(nc1)F 2230a_100015525214_100009820150 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.1 CCNCc1ccc(nc1)F 34a_100000101913_100000210202 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.1 CCNCc1ccc(nc1)O 207a_100015525214_100011361521 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.1 CCNCc1ccc(nc1)O 2230a_100000757128_100000210202 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.1 CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210202 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.1 CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210202 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|2,0,0]=3 697 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.1 CCSCc1ccc(nc1)Br 62a_100000210202_100009831999 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.1 CCSCc1ccc(nc1)Br 62a_100009831999_100000210202 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000210202_100000735431 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.1 CCSCc1ccc(nc1)Cl 62a_100000735431_100000210202 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.1 CCSCc1ccc(nc1)F 62a_100000210202_100000099788 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.1 CCSCc1ccc(nc1)F 62a_100009820150_100000210202 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|2,0,0]=3 730 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|2,0,0]=3 778 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|2,0,0]=3 780 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|2,0,0]=3 781 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|2,0,0]=3 782 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|3,0,0]=4 803 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.1 C[n+]1ccc(cc1)COCF 34a_100009831711_100015361967 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|1,0,2]=4 822 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|1,0,0]=2 824 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,1,0,0,0,0|2,0,1]=4 825 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|1,0,2]=4 826 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|1,0,2]=4 827 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,1,0,0,0,0|2,0,0]=3 828 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|1,0,0]=2 830 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|1,0,0]=2 831 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,1,0,0,0,0|2,0,1]=4 833 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|1,0,2]=4 834 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|1,0,2]=4 835 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|1,0,0]=2 838 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|1,0,0]=2 839 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.1 Cc1ccc(cn1)CNCF 34a_100000740942_100015361967 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.1 Cc1ccc(cn1)COCF 34a_100011248133_100015361967 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.1 Cc1ccc(cn1)CSCF 62a_100015361967_100016987292 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.1 Cc1ccc(cn1)CSCF 62a_100016987292_100015361967 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.1 Cc1ccc(cn1)OCCF 34a_100000745506_100011217306 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.1 Cc1ccc(cn1)OCCF 7a_100000745506_100011217306 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [0,1,0,0,0,0|2,0,0]=3 848 B11R1.1 Cc1ccc(cn1)SCCF 62a_100000751577_100011217306 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.1 Cc1ccc(cn1)SCCF 62a_100011217306_100000751577 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000211926_100000751577 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000751577_100000211926 [0,1,0,0,0,0|2,0,0]=3 852 B11R1.1 Cc1ccc(nc1)CNCF 34a_100015187455_100015361967 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.1 Cc1ccc(nc1)COCF 34a_100012001401_100015361967 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.1 Cc1ccc(nc1)CSCF 62a_100000691093_100015361967 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.1 Cc1ccc(nc1)CSCF 62a_100015361967_100000691093 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011192072_100011217306 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011217306_100000754016 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.1 Cc1ccc(nn1)NCCO 27a_100000210304_100000744512 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.1 Cc1ccc(nn1)SCCO 62a_100000211926_100000744512 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.1 Cc1ccc(nn1)SCCO 62a_100000744512_100000211926 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.1 Cc1cnc(cn1)NCCO 27a_100000210304_100000074397 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.1 Cc1cnc(cn1)SCCO 62a_100000211926_100011999403 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.1 Cc1cnc(cn1)SCCO 62a_100011999403_100000211926 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.1 Cc1cnc(nc1)NCCO 27a_100000210304_100000061069 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.1 Cc1cnc(nc1)SCCO 62a_100000061069_100000211926 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.1 Cc1cnc(nc1)SCCO 62a_100000211926_100000061069 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.1 Cc1ncc(cn1)OCCO 34a_100000062939_100000211926 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.1 Cc1ncc(cn1)OCCO 7a_100000062939_100000211926 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.1 Cc1ncc(cn1)SCCO 62a_100000211926_100000686985 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.1 Cc1ncc(cn1)SCCO 62a_100000686985_100000211926 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,1,0,0,0,0|2,0,0]=3 876 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,1,0,0,0,0|2,0,0]=3 886 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,1,0,0,0,0|2,0,0]=3 887 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [0,1,0,0,0,0|3,0,0]=4 889 B11R1.1 FCCOc1ccc(cn1)F 34a_100000742473_100011217306 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.1 FCCOc1ccc(nc1)Br 34a_100000685995_100011217306 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.1 FCCOc1ccc(nc1)Br 7a_100000685995_100011217306 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.1 FCCOc1ccc(nc1)Cl 34a_100000744096_100011217306 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.1 FCCOc1ccc(nc1)Cl 7a_100000744096_100011217306 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.1 FCCOc1ccc(nc1)F 34a_100000688820_100011217306 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.1 FCCOc1ccc(nc1)F 7a_100000688820_100011217306 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.1 FCCOc1ccc(nc1)I 34a_100000687607_100011217306 [0,1,0,0,0,0|3,0,0]=4 897 B11R1.1 FCCOc1ccc(nc1)I 7a_100000687607_100011217306 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,1,0,0,0,0|2,0,0]=3 901 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.1 FCCSc1ccc(cn1)Br 62a_100000686858_100011217306 [0,1,0,0,0,0|3,0,0]=4 905 B11R1.1 FCCSc1ccc(cn1)Br 62a_100011217306_100000686858 [0,1,0,0,0,0|3,0,0]=4 906 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011217306_100011356976 [0,1,0,0,0,0|3,0,0]=4 907 B11R1.1 FCCSc1ccc(cn1)Cl 62a_100011356976_100011217306 [0,1,0,0,0,0|3,0,0]=4 908 B11R1.1 FCCSc1ccc(cn1)F 62a_100000744514_100011217306 [0,1,0,0,0,0|3,0,0]=4 909 B11R1.1 FCCSc1ccc(cn1)F 62a_100011217306_100000744514 [0,1,0,0,0,0|3,0,0]=4 910 B11R1.1 FCCSc1ccc(nc1)Br 62a_100009814638_100011217306 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.1 FCCSc1ccc(nc1)Br 62a_100011217306_100009814638 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.1 FCCSc1ccc(nc1)Cl 62a_100000034144_100011217306 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.1 FCCSc1ccc(nc1)Cl 62a_100011217306_100000034144 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.1 FCCSc1ccc(nc1)F 62a_100000042367_100011217306 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.1 FCCSc1ccc(nc1)F 62a_100011217306_100000042367 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.1 FCNCc1ccc(cn1)Br 34a_100015188789_100015361967 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.1 FCNCc1ccc(cn1)Cl 34a_100000697193_100015361967 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.1 FCNCc1ccc(cn1)F 34a_100020620131_100015361967 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.1 FCNCc1ccc(nc1)Br 34a_100009817727_100015361967 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.1 FCNCc1ccc(nc1)Cl 34a_100000735879_100015361967 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.1 FCNCc1ccc(nc1)F 34a_100000101913_100015361967 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,0|2,0,0]=3 930 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.1 FCOCc1ccc(cn1)Br 34a_100000754261_100015361967 [0,1,0,0,0,0|3,0,0]=4 934 B11R1.1 FCOCc1ccc(cn1)Cl 34a_100000703999_100015361967 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.1 FCOCc1ccc(cn1)F 34a_100011999454_100015361967 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.1 FCOCc1ccc(nc1)Br 34a_100009816760_100015361967 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.1 FCOCc1ccc(nc1)Br 7a_100009816760_100015361967 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.1 FCOCc1ccc(nc1)Cl 34a_100000755211_100015361967 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.1 FCOCc1ccc(nc1)Cl 7a_100000755211_100015361967 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.1 FCOCc1ccc(nc1)F 34a_100000079959_100015361967 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,1,0,0,0,0|2,0,0]=3 942 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,1,0,0,0,0|2,0,0]=3 943 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,1,0,0,0,0|2,0,0]=3 945 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,1,0,0,0,0|2,0,0]=3 946 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,1,0,0,0,0|2,0,0]=3 947 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,1,0,0,0,0|2,0,0]=3 948 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,1,0,0,0,0|2,0,0]=3 949 B11R1.1 FCSCc1ccc(cn1)Br 62a_100000702658_100015361967 [0,1,0,0,0,0|3,0,0]=4 950 B11R1.1 FCSCc1ccc(cn1)Br 62a_100015361967_100000702658 [0,1,0,0,0,0|3,0,0]=4 951 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100012066911_100015361967 [0,1,0,0,0,0|3,0,0]=4 952 B11R1.1 FCSCc1ccc(cn1)Cl 62a_100015361967_100000697101 [0,1,0,0,0,0|3,0,0]=4 953 B11R1.1 FCSCc1ccc(cn1)F 62a_100000703193_100015361967 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.1 FCSCc1ccc(cn1)F 62a_100015361967_100000703193 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.1 FCSCc1ccc(nc1)Br 62a_100009831999_100015361967 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.1 FCSCc1ccc(nc1)Br 62a_100015361967_100009831999 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.1 FCSCc1ccc(nc1)Cl 62a_100000735431_100015361967 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.1 FCSCc1ccc(nc1)Cl 62a_100015361967_100000735431 [0,1,0,0,0,0|3,0,0]=4 959 B11R1.1 FCSCc1ccc(nc1)F 62a_100009820150_100015361967 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.1 FCSCc1ccc(nc1)F 62a_100015361967_100000099788 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|1,0,1]=3 962 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,1,0,0,0,0|2,0,1]=4 967 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,1,0,0,0,0|2,0,1]=4 973 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,1,0,0,0,0|2,0,1]=4 974 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,1,0,0,0,0|2,0,1]=4 975 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,1,0,0,0,0|2,0,1]=4 976 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|1,0,0]=2 979 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,0,0,0|2,0,0]=3 981 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,1,0,0,0,0|2,0,0]=3 982 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,0|2,0,0]=3 983 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,2]=4 984 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,0]=3 985 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,0]=2 986 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|1,0,2]=4 987 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|1,0,2]=4 988 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,1,0,0,0,0|2,0,0]=3 989 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,1,0,0,0,0|2,0,0]=3 990 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|1,0,0]=2 991 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|1,0,0]=2 992 B11R1.1 Nc1ccc(cn1)COCF 34a_100000704267_100015361967 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.1 Nc1ccc(cn1)OCCF 34a_100015188713_100011217306 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.1 Nc1ccc(cn1)OCCF 7a_100015188713_100011217306 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [0,1,0,0,0,0|2,0,0]=3 996 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [0,1,0,0,0,0|2,0,0]=3 997 B11R1.1 Nc1ccc(cn1)SCCF 62a_100000187370_100011217306 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.1 Nc1ccc(cn1)SCCF 62a_100011217306_100000187370 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000187370_100000211926 [0,1,0,0,0,0|2,0,0]=3 1000 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000211926_100000187370 [0,1,0,0,0,0|2,0,0]=3 1001 B11R1.1 Nc1ccc(nc1)COCF 34a_100011998161_100015361967 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.1 Nc1ccc(nc1)OCCF 34a_100000729260_100011217306 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [0,1,0,0,0,0|2,0,0]=3 1004 B11R1.1 Nc1ccc(nc1)SCCF 62a_100000737798_100011217306 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.1 Nc1ccc(nc1)SCCF 62a_100011217306_100000737798 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000211926_100000737798 [0,1,0,0,0,0|2,0,0]=3 1007 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000737798_100000211926 [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.1 Nc1ccc(nn1)SCCO 62a_100000211926_100010219413 [0,1,0,0,0,0|3,0,0]=4 1009 B11R1.1 Nc1ccc(nn1)SCCO 62a_100010219413_100000211926 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000211926_100000744751 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.1 Nc1cnc(cn1)SCCO 62a_100000744751_100000211926 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.1 Nc1cnc(nc1)SCCO 62a_100000068403_100000211926 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.1 Nc1cnc(nc1)SCCO 62a_100000211926_100000068403 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.1 Nc1ncc(cn1)OCCO 34a_100000087137_100000211926 [0,1,0,0,0,0|3,0,0]=4 1015 B11R1.1 Nc1ncc(cn1)OCCO 7a_100000087137_100000211926 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.1 Nc1ncc(cn1)SCCO 62a_100000211926_100000766020 [0,1,0,0,0,0|3,0,0]=4 1017 B11R1.1 Nc1ncc(cn1)SCCO 62a_100000766020_100000211926 [0,1,0,0,0,0|3,0,0]=4 1018 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|0,0,2]=3 1019 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|1,0,2]=4 1020 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|1,0,2]=4 1021 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|1,0,2]=4 1022 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|1,0,2]=4 1023 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|1,0,2]=4 1024 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|1,0,2]=4 1025 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,2]=4 1026 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|1,0,2]=4 1027 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|1,0,2]=4 1028 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|1,0,2]=4 1029 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|1,0,2]=4 1030 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|1,0,2]=4 1031 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|1,0,2]=4 1032 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|1,0,2]=4 1033 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|1,0,2]=4 1034 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|1,0,2]=4 1035 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|1,0,2]=4 1036 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|1,0,2]=4 1037 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|1,0,2]=4 1038 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|1,0,2]=4 1039 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|1,0,2]=4 1040 B11R1.1 O=c1ccc(c[nH]1)COCF 34a_100011999846_100015361967 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.1 O=c1ccc(c[nH]1)OCCF 34a_100000075641_100011217306 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [0,1,0,0,0,0|2,0,0]=3 1043 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100000212171_100011217306 [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100011217306_100000212171 [0,1,0,0,0,0|3,0,0]=4 1045 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000211926_100000212171 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000212171_100000211926 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100000211926_100009820020 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100009820020_100000211926 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.1 O=c1ncc(c[nH]1)SCCO 62a_100000211926_102495366499 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.1 O=c1ncc(c[nH]1)SCCO 62a_102495366499_100000211926 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [0,1,0,0,0,0|0,0,2]=3 1052 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|0,0,0]=1 1053 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|1,0,0]=2 1054 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|1,0,0]=2 1055 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|1,0,0]=2 1056 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|1,0,0]=2 1057 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|1,0,0]=2 1058 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|1,0,0]=2 1059 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,0]=2 1060 B11R1.1 OCCNc1ccc(cn1)Br 27a_100000210304_100000686858 [0,1,0,0,0,0|2,0,0]=3 1061 B11R1.1 OCCNc1ccc(nn1)O 271570a_203496583355_100000767036 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.1 OCCNc1cnc(cn1)Br 27a_100000210304_100010187541 [0,1,0,0,0,0|3,0,0]=4 1063 B11R1.1 OCCNc1cnc(cn1)F 27a_100000210304_100009856528 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.1 OCCNc1ncc(cn1)Br 27a_100000210304_100000690281 [0,1,0,0,0,0|3,0,0]=4 1065 B11R1.1 OCCNc1ncc(cn1)Cl 27a_100000210304_100011356929 [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.1 OCCNc1ncc(cn1)F 27a_100000210304_100000685220 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|1,0,0]=2 1068 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|1,0,0]=2 1069 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|1,0,0]=2 1070 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|1,0,0]=2 1071 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|1,0,0]=2 1072 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|1,0,0]=2 1073 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|1,0,0]=2 1074 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|1,0,0]=2 1075 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [0,1,0,0,0,0|2,0,0]=3 1076 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [0,1,0,0,0,0|2,0,0]=3 1077 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [0,1,0,0,0,0|2,0,0]=3 1078 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [0,1,0,0,0,0|2,0,0]=3 1079 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [0,1,0,0,0,0|2,0,0]=3 1080 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [0,1,0,0,0,0|2,0,0]=3 1082 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [0,1,0,0,0,0|2,0,0]=3 1083 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [0,1,0,0,0,0|2,0,0]=3 1084 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [0,1,0,0,0,0|2,0,0]=3 1085 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [0,1,0,0,0,0|2,0,0]=3 1086 B11R1.1 OCCOc1cnc(cn1)Br 34a_100011934580_100000211926 [0,1,0,0,0,0|3,0,0]=4 1087 B11R1.1 OCCOc1cnc(cn1)Cl 34a_100015839800_100000211926 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.1 OCCOc1cnc(nc1)Br 34a_100000730009_100000211926 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.1 OCCOc1cnc(nc1)Br 7a_100000730009_100000211926 [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.1 OCCOc1cnc(nc1)Cl 34a_100000092845_100000211926 [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.1 OCCOc1cnc(nc1)Cl 7a_100000092845_100000211926 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.1 OCCOc1cnc(nc1)F 34a_200009874573_100000211926 [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.1 OCCOc1cnc(nc1)F 7a_200009874573_100000211926 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.1 OCCOc1ncc(cn1)F 34a_100011934040_100000211926 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|1,0,0]=2 1096 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|1,0,0]=2 1097 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|1,0,0]=2 1098 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|1,0,0]=2 1099 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|1,0,0]=2 1100 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|1,0,0]=2 1101 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|1,0,0]=2 1102 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000211926_100000686858 [0,1,0,0,0,0|2,0,0]=3 1103 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000686858_100000211926 [0,1,0,0,0,0|2,0,0]=3 1104 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [0,1,0,0,0,0|2,0,0]=3 1106 B11R1.1 OCCSc1ccc(cn1)F 62a_100000211926_100000744514 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.1 OCCSc1ccc(cn1)F 62a_100000744514_100000211926 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [0,1,0,0,0,0|2,0,0]=3 1109 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.1 OCCSc1ccc(nc1)Br 62a_100000211926_100009814638 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.1 OCCSc1ccc(nc1)Br 62a_100009814638_100000211926 [0,1,0,0,0,0|2,0,0]=3 1112 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000034144_100000211926 [0,1,0,0,0,0|2,0,0]=3 1113 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000211926_100000034144 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.1 OCCSc1ccc(nc1)F 62a_100000042367_100000211926 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.1 OCCSc1ccc(nc1)F 62a_100000211926_100000042367 [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.1 OCCSc1ccc(nn1)Cl 62a_100000068654_100000211926 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.1 OCCSc1ccc(nn1)Cl 62a_100000211926_100000068654 [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.1 OCCSc1ccc(nn1)O 271570a_203496583355_100000215309 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.1 OCCSc1cnc(cn1)Br 62a_100000211926_100010187541 [0,1,0,0,0,0|3,0,0]=4 1120 B11R1.1 OCCSc1cnc(cn1)Br 62a_100010187541_100000211926 [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100000211926_100010214907 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.1 OCCSc1cnc(cn1)Cl 62a_100010214907_100000211926 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.1 OCCSc1cnc(cn1)F 62a_100000211926_100009856528 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.1 OCCSc1cnc(cn1)F 62a_100009856528_100000211926 [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.1 OCCSc1cnc(cn1)O 62a_100000211926_100015839800 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.1 OCCSc1cnc(cn1)O 62a_100011934580_100000211926 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.1 OCCSc1cnc(nc1)Br 62a_100000211926_200012349914 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.1 OCCSc1cnc(nc1)Br 62a_200012349914_100000211926 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.1 OCCSc1cnc(nc1)Cl 62a_100000059775_100000211926 [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.1 OCCSc1cnc(nc1)Cl 62a_100000211926_100000059775 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.1 OCCSc1cnc(nc1)F 62a_100000211926_100000685262 [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.1 OCCSc1cnc(nc1)F 62a_100000685262_100000211926 [0,1,0,0,0,0|3,0,0]=4 1133 B11R1.1 OCCSc1ncc(cn1)Br 62a_100000211926_100000690281 [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.1 OCCSc1ncc(cn1)Br 62a_100000690281_100000211926 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.1 OCCSc1ncc(cn1)Cl 62a_100000211926_100011356929 [0,1,0,0,0,0|3,0,0]=4 1136 B11R1.1 OCCSc1ncc(cn1)Cl 62a_100011356929_100000211926 [0,1,0,0,0,0|3,0,0]=4 1137 B11R1.1 OCCSc1ncc(cn1)F 62a_100000211926_100000685220 [0,1,0,0,0,0|3,0,0]=4 1138 B11R1.1 OCCSc1ncc(cn1)F 62a_100000685220_100000211926 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.1 OCCSc1ncc(cn1)O 62a_100000211926_100000092845 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.1 OCCSc1ncc(cn1)O 62a_100000730009_100000211926 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,1,0,0,0,0|2,0,0]=3 1142 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,0]=3 1143 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,0,0,0|2,0,0]=3 1144 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,1,0,0,0,0|2,0,0]=3 1145 B11R1.1 Oc1ccc(nc1)SCCF 62a_100000685995_100011217306 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.1 Oc1ccc(nc1)SCCF 62a_100011217306_100000744096 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|2,0,0]=3 1148 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|2,0,0]=3 1150 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|2,0,0]=3 1151 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|2,0,0]=3 1152 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|2,0,0]=3 1153 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|2,0,0]=3 1154 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|2,0,0]=3 1155 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|2,0,0]=3 1156 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|2,0,0]=3 1157 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|2,0,0]=3 1158 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|2,0,0]=3 1161 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|2,0,0]=3 1162 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,0]=3 1163 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|2,0,0]=3 1168 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|2,0,0]=3 1169 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|2,0,0]=3 1170 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|2,0,0]=3 1172 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|2,0,0]=3 1174 B11R1.1 [O-][n+]1ccc(cc1)COCF 34a_100000031831_100015361967 [0,1,0,0,0,0|3,0,0]=4 1175 B11R1.1 [O-][n+]1ccc(cc1)COCF 7a_100000031831_100015361967 [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.1 [O-][n+]1ccc(cc1)SCCF 62a_100011217306_100000039755 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.1 [O-][n+]1ccc(cc1)SCCO 62a_100000211926_100000039755 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|1,0,2]=4 1179 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,1,0,0,0,0|2,0,1]=4 1180 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,1,0,0,0,0|2,0,1]=4 1181 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|1,0,2]=4 1182 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 1183 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 1184 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|2,0,1]=4 1185 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 1186 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|2,0,1]=4 1187 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|2,0,1]=4 1188 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|2,0,0]=3 1193 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,0]=3 1194 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,0]=3 1195 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,0]=3 1196 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,0]=3 1197 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|2,0,0]=3 1198 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|2,0,0]=3 1199 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|1,0,1]=3 1200 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|2,0,0]=3 1201 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|2,0,0]=3 1202 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|2,0,0]=3 1203 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|2,0,0]=3 1204 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|2,0,0]=3 1205 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|2,0,0]=3 1206 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|2,0,0]=3 1207 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|2,0,0]=3 1209 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 1210 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 1211 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,1,0,0,0,0|2,0,1]=4 1212 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|2,0,0]=3 1213 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|2,0,0]=3 1214 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,1,0,0,0,0|3,0,0]=4 1215 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,1,0,0,0,0|3,0,0]=4 1216 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,1,0,0,0,0|3,0,0]=4 1218 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,1,0,0,0,0|3,0,0]=4 1219 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|2,0,0]=3 1221 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|2,0,0]=3 1222 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|2,0,0]=3 1224 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,1,0,0,0,0|2,0,1]=4 1227 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|1,0,2]=4 1229 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|1,0,2]=4 1230 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|1,0,2]=4 1231 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|1,0,0]=2 1235 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1236 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|1,0,0]=2 1237 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1238 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|1,0,0]=2 1239 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 1240 B11R1.16 CN(CCO)c1cccnn1 27a_100000210263_100016991348 [0,1,0,0,0,0|3,0,0]=4 1241 B11R1.16 CN(CCO)c1ccncn1 27a_100000210263_100000703185 [0,1,0,0,0,0|3,0,0]=4 1242 B11R1.16 CN(CCO)c1cnccn1 27a_100000210263_100000211759 [0,1,0,0,0,0|3,0,0]=4 1243 B11R1.16 CN(CCO)c1ncccn1 27a_100000210263_100000211032 [0,1,0,0,0,0|3,0,0]=4 1244 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|2,0,1]=4 1245 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|2,0,0]=3 1249 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|2,0,0]=3 1250 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|2,0,0]=3 1251 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|2,0,0]=3 1253 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|2,0,0]=3 1254 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|2,0,0]=3 1255 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|2,0,0]=3 1258 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|2,0,0]=3 1259 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|2,0,0]=3 1260 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,0]=3 1263 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|2,0,0]=3 1264 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,0]=3 1267 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,1,0,0,0,0|3,0,0]=4 1268 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|2,0,1]=4 1270 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,0]=3 1272 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|2,0,0]=3 1275 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|2,0,0]=3 1280 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|2,0,0]=3 1282 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|2,0,0]=3 1283 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|1,0,2]=4 1284 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|1,0,1]=3 1285 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|0,0,1]=2 1286 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1287 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1288 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 1289 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|2,0,0]=3 1290 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,0,0,0,0|3,0,0]=4 1291 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,0|3,0,0]=4 1292 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,0]=3 1293 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,1,0,0,0,0|3,0,0]=4 1294 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|3,0,0]=4 1299 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|2,0,0]=3 1300 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|2,0,0]=3 1301 B11R1.17 C#CCNc1ccccc1Br 34a_100000210017_100000184674 [0,1,0,0,0,0|2,0,1]=4 1302 B11R1.17 C#CCNc1ccccc1C 34a_100015192222_100000184674 [0,1,0,0,0,0|2,0,1]=4 1303 B11R1.17 C#CCNc1ccccc1Cl 34a_100000185783_100000184674 [0,1,0,0,0,0|2,0,1]=4 1304 B11R1.17 C#CCNc1ccccc1F 34a_100000210422_100000184674 [0,1,0,0,0,0|2,0,1]=4 1305 B11R1.17 C#CCNc1ccccc1I 34a_100000210053_100000184674 [0,1,0,0,0,0|2,0,1]=4 1306 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [0,1,0,0,0,0|2,0,1]=4 1307 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [0,1,0,0,0,0|2,0,1]=4 1308 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [0,1,0,0,0,0|2,0,1]=4 1309 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [0,1,0,0,0,0|2,0,1]=4 1310 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [0,1,0,0,0,0|2,0,1]=4 1311 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [0,1,0,0,0,0|2,0,1]=4 1312 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [0,1,0,0,0,0|2,0,1]=4 1313 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [0,1,0,0,0,0|2,0,1]=4 1314 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [0,1,0,0,0,0|2,0,1]=4 1315 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [0,1,0,0,0,0|2,0,1]=4 1316 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [0,1,0,0,0,0|2,0,1]=4 1317 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [0,1,0,0,0,0|2,0,1]=4 1318 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [0,1,0,0,0,0|2,0,1]=4 1319 B11R1.17 C#CCSc1ccccc1Br 62a_100000038162_100000695589 [0,1,0,0,0,0|2,0,1]=4 1320 B11R1.17 C#CCSc1ccccc1C 62a_100000038162_100000210755 [0,1,0,0,0,0|2,0,1]=4 1321 B11R1.17 C#CCSc1ccccc1Cl 62a_100000038162_100000764095 [0,1,0,0,0,0|2,0,1]=4 1322 B11R1.17 C#CCSc1ccccc1F 62a_100000038162_100011215700 [0,1,0,0,0,0|2,0,1]=4 1323 B11R1.17 C#CCSc1ccccc1N 62a_100000038162_100000210017 [0,1,0,0,0,0|2,0,1]=4 1324 B11R1.17 C#CCSc1ccccc1O 62a_100000038162_100000739446 [0,1,0,0,0,0|2,0,1]=4 1325 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,1,0,0,0,0|2,0,1]=4 1326 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,1,0,0,0,0|2,0,1]=4 1327 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,1,0,0,0,0|2,0,1]=4 1328 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,1,0,0,0,0|2,0,1]=4 1329 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,1,0,0,0,0|2,0,1]=4 1330 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,1,0,0,0,0|2,0,1]=4 1331 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,1,0,0,0,0|2,0,1]=4 1332 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,1,0,0,0,0|2,0,1]=4 1333 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,1,0,0,0,0|2,0,1]=4 1334 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,1,0,0,0,0|2,0,1]=4 1335 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,1,0,0,0,0|2,0,1]=4 1336 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,1,0,0,0,0|2,0,1]=4 1337 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,1,0,0,0,0|2,0,1]=4 1338 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,1,0,0,0,0|2,0,1]=4 1339 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,1,0,0,0,0|2,0,1]=4 1340 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,1,0,0,0,0|2,0,1]=4 1341 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,1,0,0,0,0|2,0,1]=4 1342 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,1,0,0,0,0|2,0,1]=4 1343 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,1,0,0,0,0|2,0,1]=4 1344 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,1,0,0,0,0|2,0,1]=4 1345 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,1,0,0,0,0|2,0,1]=4 1347 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,1,0,0,0,0|2,0,1]=4 1348 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,1,0,0,0,0|2,0,1]=4 1349 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,1,0,0,0,0|2,0,1]=4 1351 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,1,0,0,0,0|2,0,1]=4 1352 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,1,0,0,0,0|2,0,1]=4 1353 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,1,0,0,0,0|2,0,1]=4 1354 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,1,0,0,0,0|2,0,1]=4 1355 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,0,0,0,0|2,0,0]=3 1356 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,1,0,0,0,0|2,0,0]=3 1357 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,0,0,0,0|2,0,0]=3 1358 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,0,0,0,0|2,0,0]=3 1359 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,1,0,0,0,0|2,0,0]=3 1360 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|1,0,0]=2 1361 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|1,0,0]=2 1362 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|1,0,0]=2 1363 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|1,0,0]=2 1364 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|1,0,0]=2 1365 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|1,0,0]=2 1366 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,0,0,0,0|2,0,0]=3 1367 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,0,0,0|2,0,0]=3 1368 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,0,0,0,0|2,0,0]=3 1369 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,0,0,0,0|2,0,0]=3 1370 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,0,0,0,0|2,0,0]=3 1371 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,1,0,0,0,0|2,0,0]=3 1373 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,1,0,0,0,0|2,0,0]=3 1375 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,1,0,0,0,0|2,0,0]=3 1376 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,1,0,0,0,0|2,0,0]=3 1377 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,1,0,0,0,0|2,0,0]=3 1378 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,1,0,0,0,0|2,0,0]=3 1379 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,1,0,0,0,0|2,0,0]=3 1380 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,1,0,0,0,0|2,0,0]=3 1381 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,1,0,0,0,0|2,0,0]=3 1382 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,1,0,0,0,0|2,0,0]=3 1383 B11R1.17 CCCCc1cncnc1Br 271570a_100020621405_200012461658 [0,1,0,0,0,0|3,0,0]=4 1384 B11R1.17 CCCCc1cncnc1C 271570a_100020621405_100009819671 [0,1,0,0,0,0|3,0,0]=4 1385 B11R1.17 CCCCc1cncnc1Cl 271570a_100020621405_100000758962 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.17 CCCCc1cncnc1N 271570a_100020621405_100011996079 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.17 CCCCc1cncnc1O 271570a_100020621405_100000751107 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.17 CCCCc1cnncc1N 271570a_100020621405_100009829405 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,1,0,0,0,0|2,0,0]=3 1391 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,1,0,0,0,0|2,0,0]=3 1392 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,1,0,0,0,0|2,0,0]=3 1393 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,1,0,0,0,0|2,0,0]=3 1394 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,1,0,0,0,0|2,0,0]=3 1395 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,0,0,0,0|2,0,0]=3 1396 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.17 CCCCc1ncncc1C 271570a_100020621405_100011998708 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.17 CCCCc1ncncc1F 271570a_100020621405_100000069762 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.17 CCCCc1ncncc1N 271570a_100020621405_100000709731 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.17 CCCCc1ncncc1O 271570a_203496583355_200009816989 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.17 CCCCc1nnccc1C 271570a_100020621405_100000089043 [0,1,0,0,0,0|3,0,0]=4 1404 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,0,0,0|2,0,0]=3 1405 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,0,0,0|2,0,0]=3 1406 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,0,0,0|2,0,0]=3 1407 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,0,0,0|2,0,0]=3 1408 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,0,0,0|2,0,0]=3 1409 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.17 CCCOc1cccc[n+]1[O-] 7a_100000211761_100000210303 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,0,0,0|2,0,0]=3 1412 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,0,0,0|2,0,0]=3 1413 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,0,0,0|2,0,0]=3 1414 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,0,0,0|2,0,0]=3 1415 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,0,0,0|2,0,0]=3 1416 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,0,0,0|2,0,0]=3 1417 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,0,0,0|2,0,0]=3 1418 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,0,0,0|2,0,0]=3 1419 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,0,0,0|2,0,0]=3 1420 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,0,0,0|2,0,0]=3 1421 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,0,0,0|2,0,0]=3 1422 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,0,0,0|2,0,0]=3 1423 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,0,0,0|2,0,0]=3 1424 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,1,0,0,0,0|3,0,0]=4 1425 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,1,0,0,0,0|3,0,0]=4 1426 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,0,0,0,0|3,0,0]=4 1427 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,0,0,0,0|3,0,0]=4 1428 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,1,0,0,0,0|3,0,0]=4 1429 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,1,0,0,0,0|3,0,0]=4 1431 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,1,0,0,0,0|3,0,0]=4 1432 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,1,0,0,0,0|3,0,0]=4 1435 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,1,0,0,0,0|3,0,0]=4 1436 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.17 CCCOc1ccncc1Br 34a_100011996408_100000210303 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.17 CCCOc1ccncc1C 34a_100000694293_100000210303 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.17 CCCOc1ccncc1Cl 34a_100011997054_100000210303 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.17 CCCOc1ccncc1F 34a_200000081243_100000210303 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.17 CCCOc1cnccc1C 34a_100011997053_100000210303 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.17 CCCOc1cnccc1C 7a_100011997053_100000210303 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.17 CCCOc1cnccc1Cl 34a_100011996695_100000210303 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.17 CCCOc1cnccc1I 34a_100000050107_100000210303 [0,1,0,0,0,0|3,0,0]=4 1446 B11R1.17 CCCOc1cnccc1N 34a_100000753702_100000210303 [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1448 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [0,1,0,0,0,0|3,0,0]=4 1449 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [0,1,0,0,0,0|3,0,0]=4 1451 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [0,1,0,0,0,0|3,0,0]=4 1454 B11R1.17 CCCSc1c[nH]ccc1=S 62a_100000210303_200012280681 [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.17 CCCSc1c[nH]ccc1=S 62a_200012280681_100000210303 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [0,1,0,0,0,0|3,0,0]=4 1457 B11R1.17 CCCSc1cccc[n+]1[O-] 62a_100000210303_200000042595 [0,1,0,0,0,0|3,0,0]=4 1458 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,0,0,0|2,0,0]=3 1459 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,0,0,0|2,0,0]=3 1460 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,0,0,0|2,0,0]=3 1461 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,0,0,0|2,0,0]=3 1462 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,0,0,0|2,0,0]=3 1463 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,0,0,0|2,0,0]=3 1464 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,0,0,0|2,0,0]=3 1465 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,0,0,0|2,0,0]=3 1466 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,0,0,0|2,0,0]=3 1467 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,0,0,0|2,0,0]=3 1468 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,0,0,0|2,0,0]=3 1469 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,0,0,0|2,0,0]=3 1470 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [0,1,0,0,0,0|3,0,0]=4 1471 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [0,1,0,0,0,0|3,0,0]=4 1472 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [0,1,0,0,0,0|3,0,0]=4 1473 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [0,1,0,0,0,0|3,0,0]=4 1474 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [0,1,0,0,0,0|3,0,0]=4 1475 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [0,1,0,0,0,0|3,0,0]=4 1476 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [0,1,0,0,0,0|3,0,0]=4 1477 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [0,1,0,0,0,0|3,0,0]=4 1478 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [0,1,0,0,0,0|3,0,0]=4 1479 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [0,1,0,0,0,0|3,0,0]=4 1480 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [0,1,0,0,0,0|3,0,0]=4 1481 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [0,1,0,0,0,0|3,0,0]=4 1482 B11R1.17 CCCSc1ccncc1Br 62a_100000210303_100000726257 [0,1,0,0,0,0|3,0,0]=4 1483 B11R1.17 CCCSc1ccncc1Br 62a_100000726257_100000210303 [0,1,0,0,0,0|3,0,0]=4 1484 B11R1.17 CCCSc1ccncc1C 62a_100000210303_100000765111 [0,1,0,0,0,0|3,0,0]=4 1485 B11R1.17 CCCSc1ccncc1C 62a_100000765111_100000210303 [0,1,0,0,0,0|3,0,0]=4 1486 B11R1.17 CCCSc1ccncc1Cl 62a_100000210303_100000708259 [0,1,0,0,0,0|3,0,0]=4 1487 B11R1.17 CCCSc1ccncc1Cl 62a_100000708259_100000210303 [0,1,0,0,0,0|3,0,0]=4 1488 B11R1.17 CCCSc1ccncc1F 62a_100000047030_100000210303 [0,1,0,0,0,0|3,0,0]=4 1489 B11R1.17 CCCSc1ccncc1F 62a_100000210303_100000047030 [0,1,0,0,0,0|3,0,0]=4 1490 B11R1.17 CCCSc1ccncc1N 62a_100000210303_100000756074 [0,1,0,0,0,0|3,0,0]=4 1491 B11R1.17 CCCSc1ccncc1N 62a_100000756074_100000210303 [0,1,0,0,0,0|3,0,0]=4 1492 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [0,1,0,0,0,0|3,0,0]=4 1493 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [0,1,0,0,0,0|3,0,0]=4 1494 B11R1.17 CCCSc1cnccc1Br 62a_100000210303_100010138639 [0,1,0,0,0,0|3,0,0]=4 1495 B11R1.17 CCCSc1cnccc1Br 62a_100010138639_100000210303 [0,1,0,0,0,0|3,0,0]=4 1496 B11R1.17 CCCSc1cnccc1C 62a_100000210303_100000761580 [0,1,0,0,0,0|3,0,0]=4 1497 B11R1.17 CCCSc1cnccc1C 62a_100000761580_100000210303 [0,1,0,0,0,0|3,0,0]=4 1498 B11R1.17 CCCSc1cnccc1Cl 62a_100000210303_100009995489 [0,1,0,0,0,0|3,0,0]=4 1499 B11R1.17 CCCSc1cnccc1Cl 62a_100009995489_100000210303 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.17 CCCSc1cnccc1F 62a_100000210303_100009820683 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.17 CCCSc1cnccc1F 62a_100009820683_100000210303 [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.17 CCCSc1cnccc1N 62a_100000047001_100000210303 [0,1,0,0,0,0|3,0,0]=4 1503 B11R1.17 CCCSc1cnccc1N 62a_100000210303_100000047001 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.17 CCCSc1ncccc1Br 62a_100000210303_100000696092 [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.17 CCCSc1ncccc1Br 62a_100000696092_100000210303 [0,1,0,0,0,0|3,0,0]=4 1506 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [0,1,0,0,0,0|3,0,0]=4 1508 B11R1.17 CCCSc1ncccc1Cl 62a_100000210303_100011356963 [0,1,0,0,0,0|3,0,0]=4 1509 B11R1.17 CCCSc1ncccc1Cl 62a_100011356963_100000210303 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.17 CCCSc1ncccc1F 62a_100000210303_100000685392 [0,1,0,0,0,0|3,0,0]=4 1511 B11R1.17 CCCSc1ncccc1F 62a_100000685392_100000210303 [0,1,0,0,0,0|3,0,0]=4 1512 B11R1.17 CCCSc1ncccc1N 62a_100000210303_100000688686 [0,1,0,0,0,0|3,0,0]=4 1513 B11R1.17 CCCSc1ncccc1N 62a_100000688686_100000210303 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,1,0,0,0,0|3,0,0]=4 1515 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,1,0,0,0,0|3,0,0]=4 1516 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,0|2,0,0]=3 1517 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,0|2,0,0]=3 1518 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,0|2,0,0]=3 1519 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,0|2,0,0]=3 1520 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,0|2,0,0]=3 1521 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,0|2,0,0]=3 1522 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,0|2,0,0]=3 1523 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,0|2,0,0]=3 1524 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,0|2,0,0]=3 1525 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,0|2,0,0]=3 1526 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,0|2,0,0]=3 1527 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,0|2,0,0]=3 1528 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,0|2,0,0]=3 1529 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,0|2,0,0]=3 1530 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,0|2,0,0]=3 1531 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,0|2,0,0]=3 1532 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,0|2,0,0]=3 1533 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,0|2,0,0]=3 1534 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,0|2,0,0]=3 1535 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,0|2,0,0]=3 1536 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,0|2,0,0]=3 1537 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,0|2,0,0]=3 1538 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [0,1,0,0,0,0|3,0,0]=4 1539 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [0,1,0,0,0,0|3,0,0]=4 1540 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [0,1,0,0,0,0|3,0,0]=4 1541 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,1,0,0,0,0|3,0,0]=4 1542 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,1,0,0,0,0|3,0,0]=4 1543 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [0,1,0,0,0,0|3,0,0]=4 1547 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [0,1,0,0,0,0|3,0,0]=4 1548 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [0,1,0,0,0,0|3,0,0]=4 1549 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [0,1,0,0,0,0|3,0,0]=4 1550 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [0,1,0,0,0,0|3,0,0]=4 1551 B11R1.17 CCNCc1ccncc1Br 270004a_100015525214_100000755692 [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.17 CCNCc1ccncc1C 2230a_100015525214_100020672808 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.17 CCNCc1ccncc1Cl 207a_100015525214_100011934409 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.17 CCNCc1ccncc1Cl 2230a_100015525214_100000763264 [0,1,0,0,0,0|3,0,0]=4 1555 B11R1.17 CCNCc1ccncc1Cl 270004a_100015525214_100011934409 [0,1,0,0,0,0|3,0,0]=4 1556 B11R1.17 CCNCc1ccncc1F 34a_100011935246_100000210202 [0,1,0,0,0,0|3,0,0]=4 1557 B11R1.17 CCNCc1cnccc1Br 270004a_100015525214_100009816821 [0,1,0,0,0,0|3,0,0]=4 1558 B11R1.17 CCNCc1cnccc1C 207a_100015525214_100000685662 [0,1,0,0,0,0|3,0,0]=4 1559 B11R1.17 CCNCc1cnccc1C 2230a_100015525214_100000690890 [0,1,0,0,0,0|3,0,0]=4 1560 B11R1.17 CCNCc1cnccc1C 270004a_100015525214_100000685662 [0,1,0,0,0,0|3,0,0]=4 1561 B11R1.17 CCNCc1cnccc1Cl 270004a_100015525214_100000050567 [0,1,0,0,0,0|3,0,0]=4 1562 B11R1.17 CCNCc1ncccc1Br 207a_100015525214_100011934733 [0,1,0,0,0,0|3,0,0]=4 1563 B11R1.17 CCNCc1ncccc1Br 2230a_100015525214_100025702911 [0,1,0,0,0,0|3,0,0]=4 1564 B11R1.17 CCNCc1ncccc1Br 270004a_100015525214_100011934733 [0,1,0,0,0,0|3,0,0]=4 1565 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [0,1,0,0,0,0|3,0,0]=4 1566 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [0,1,0,0,0,0|3,0,0]=4 1567 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [0,1,0,0,0,0|3,0,0]=4 1568 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [0,1,0,0,0,0|3,0,0]=4 1569 B11R1.17 CCNCc1ncccc1Cl 207a_100015525214_100012001307 [0,1,0,0,0,0|3,0,0]=4 1570 B11R1.17 CCNCc1ncccc1Cl 2230a_100015189233_100000210202 [0,1,0,0,0,0|3,0,0]=4 1571 B11R1.17 CCNCc1ncccc1Cl 2230a_100015525214_100000099807 [0,1,0,0,0,0|3,0,0]=4 1572 B11R1.17 CCNCc1ncccc1Cl 270004a_100015525214_100012001307 [0,1,0,0,0,0|3,0,0]=4 1573 B11R1.17 CCNCc1ncccc1F 207a_100015525214_100011934734 [0,1,0,0,0,0|3,0,0]=4 1574 B11R1.17 CCNCc1ncccc1F 2230a_100015525214_100000104219 [0,1,0,0,0,0|3,0,0]=4 1575 B11R1.17 CCNCc1ncccc1F 270004a_100015525214_100011934734 [0,1,0,0,0,0|3,0,0]=4 1576 B11R1.17 CCNCc1ncccc1F 34a_100000690088_100000210202 [0,1,0,0,0,0|3,0,0]=4 1577 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,0|2,0,0]=3 1578 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,0|2,0,0]=3 1579 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,0|2,0,0]=3 1580 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,0|2,0,0]=3 1581 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,0|2,0,0]=3 1582 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,0|2,0,0]=3 1583 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,0|2,0,0]=3 1584 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,0|2,0,0]=3 1585 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,0|2,0,0]=3 1586 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,0|2,0,0]=3 1587 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,0|2,0,0]=3 1588 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,0|2,0,0]=3 1589 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,0|2,0,0]=3 1590 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,0|2,0,0]=3 1591 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,0|2,0,0]=3 1592 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,0|2,0,0]=3 1593 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,0|2,0,0]=3 1594 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [0,1,0,0,0,0|3,0,0]=4 1595 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [0,1,0,0,0,0|3,0,0]=4 1596 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [0,1,0,0,0,0|3,0,0]=4 1597 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [0,1,0,0,0,0|3,0,0]=4 1598 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [0,1,0,0,0,0|3,0,0]=4 1599 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [0,1,0,0,0,0|3,0,0]=4 1600 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [0,1,0,0,0,0|3,0,0]=4 1607 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [0,1,0,0,0,0|3,0,0]=4 1608 B11R1.17 CCOCc1ccncc1F 34a_100012172863_100000210202 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [0,1,0,0,0,0|3,0,0]=4 1610 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [0,1,0,0,0,0|3,0,0]=4 1611 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [0,1,0,0,0,0|3,0,0]=4 1612 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [0,1,0,0,0,0|3,0,0]=4 1613 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [0,1,0,0,0,0|3,0,0]=4 1615 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [0,1,0,0,0,0|3,0,0]=4 1616 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [0,1,0,0,0,0|3,0,0]=4 1617 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,1,0,0,0,0|3,0,0]=4 1621 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,0|2,0,0]=3 1622 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,0|2,0,0]=3 1623 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,0|2,0,0]=3 1624 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,0|2,0,0]=3 1625 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,0|2,0,0]=3 1626 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,0|2,0,0]=3 1627 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,0|2,0,0]=3 1628 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,0|2,0,0]=3 1629 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,0|2,0,0]=3 1630 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,0|2,0,0]=3 1631 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,0|2,0,0]=3 1632 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [0,1,0,0,0,0|3,0,0]=4 1633 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [0,1,0,0,0,0|3,0,0]=4 1634 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [0,1,0,0,0,0|3,0,0]=4 1635 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [0,1,0,0,0,0|3,0,0]=4 1636 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [0,1,0,0,0,0|3,0,0]=4 1639 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [0,1,0,0,0,0|3,0,0]=4 1640 B11R1.17 CCSCc1ccncc1C 62a_100000210202_100020672808 [0,1,0,0,0,0|3,0,0]=4 1641 B11R1.17 CCSCc1ccncc1C 62a_100020672808_100000210202 [0,1,0,0,0,0|3,0,0]=4 1642 B11R1.17 CCSCc1ccncc1Cl 62a_100000210202_100000763264 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.17 CCSCc1ccncc1Cl 62a_100000763264_100000210202 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.17 CCSCc1cnccc1C 62a_100000210202_100000690890 [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.17 CCSCc1cnccc1C 62a_100000690890_100000210202 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.17 CCSCc1ncccc1Br 62a_100000210202_100025702911 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.17 CCSCc1ncccc1Br 62a_100025702911_100000210202 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [0,1,0,0,0,0|3,0,0]=4 1649 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [0,1,0,0,0,0|3,0,0]=4 1650 B11R1.17 CCSCc1ncccc1Cl 62a_100000099807_100000210202 [0,1,0,0,0,0|3,0,0]=4 1651 B11R1.17 CCSCc1ncccc1Cl 62a_100000210202_100000099807 [0,1,0,0,0,0|3,0,0]=4 1652 B11R1.17 CCSCc1ncccc1F 62a_100000104219_100000210202 [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.17 CCSCc1ncccc1F 62a_100000210202_100000104219 [0,1,0,0,0,0|3,0,0]=4 1654 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,1,0,0,0,0|3,0,0]=4 1655 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1656 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|2,0,0]=3 1657 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|2,0,0]=3 1658 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|2,0,0]=3 1659 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|2,0,0]=3 1660 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|2,0,0]=3 1661 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|2,0,0]=3 1662 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|2,0,0]=3 1663 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|2,0,0]=3 1664 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|2,0,0]=3 1665 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|2,0,0]=3 1666 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|2,0,0]=3 1667 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|2,0,0]=3 1668 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|2,0,0]=3 1669 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|2,0,0]=3 1670 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|2,0,0]=3 1671 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|2,0,0]=3 1672 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1673 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|2,0,0]=3 1674 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|2,0,0]=3 1675 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|2,0,0]=3 1676 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|2,0,0]=3 1677 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|2,0,0]=3 1678 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|2,0,0]=3 1679 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|2,0,0]=3 1680 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [0,1,0,0,0,0|3,0,0]=4 1681 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|2,0,0]=3 1682 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|2,0,0]=3 1683 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|2,0,0]=3 1684 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|2,0,0]=3 1685 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|2,0,0]=3 1686 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|2,0,0]=3 1687 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|2,0,0]=3 1688 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|2,0,0]=3 1689 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|2,0,0]=3 1690 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|2,0,0]=3 1691 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|2,0,0]=3 1692 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|2,0,0]=3 1693 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|2,0,0]=3 1694 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|2,0,0]=3 1695 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,0]=3 1696 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|2,0,0]=3 1697 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [0,1,0,0,0,0|3,0,0]=4 1698 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [0,1,0,0,0,0|3,0,0]=4 1699 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,1,0,0,0,0|3,0,0]=4 1700 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [0,1,0,0,0,0|3,0,0]=4 1701 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [0,1,0,0,0,0|3,0,0]=4 1702 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [0,1,0,0,0,0|3,0,0]=4 1705 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [0,1,0,0,0,0|3,0,0]=4 1709 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [0,1,0,0,0,0|3,0,0]=4 1710 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,1,0,0,0,0|3,0,0]=4 1711 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,1,0,0,0,0|3,0,0]=4 1712 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|2,0,0]=3 1713 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|2,0,0]=3 1714 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|2,0,0]=3 1715 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|2,0,0]=3 1716 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|2,0,0]=3 1717 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|2,0,0]=3 1718 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|2,0,0]=3 1719 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|2,0,0]=3 1720 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|2,0,0]=3 1721 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|2,0,0]=3 1722 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [0,1,0,0,0,0|3,0,0]=4 1723 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [0,1,0,0,0,0|3,0,0]=4 1725 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [0,1,0,0,0,0|3,0,0]=4 1726 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,1,0,0,0,0|3,0,0]=4 1728 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [0,1,0,0,0,0|3,0,0]=4 1729 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [0,1,0,0,0,0|3,0,0]=4 1730 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [0,1,0,0,0,0|3,0,0]=4 1731 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [0,1,0,0,0,0|3,0,0]=4 1732 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [0,1,0,0,0,0|3,0,0]=4 1733 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [0,1,0,0,0,0|3,0,0]=4 1734 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [0,1,0,0,0,0|3,0,0]=4 1735 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [0,1,0,0,0,0|3,0,0]=4 1736 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [0,1,0,0,0,0|3,0,0]=4 1737 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [0,1,0,0,0,0|3,0,0]=4 1738 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [0,1,0,0,0,0|3,0,0]=4 1741 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [0,1,0,0,0,0|3,0,0]=4 1742 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.17 C[n+]1ccccc1SCCF 62a_100011217306_100000212160 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.17 C[n+]1ccccc1SCCO 62a_100000211926_100000212160 [0,1,0,0,0,0|2,0,0]=3 1748 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|2,0,0]=3 1749 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|2,0,0]=3 1750 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|2,0,0]=3 1751 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|2,0,0]=3 1752 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|2,0,0]=3 1753 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|2,0,0]=3 1754 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [0,1,0,0,0,0|2,0,0]=3 1755 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [0,1,0,0,0,0|2,0,0]=3 1756 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [0,1,0,0,0,0|2,0,0]=3 1757 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [0,1,0,0,0,0|2,0,0]=3 1758 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [0,1,0,0,0,0|2,0,0]=3 1759 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,1,0,0,0,0|1,0,2]=4 1760 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [0,1,0,0,0,0|2,0,0]=3 1761 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,0|1,0,0]=2 1762 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [0,1,0,0,0,0|2,0,1]=4 1763 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,1,0,0,0,0|1,0,2]=4 1764 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,1,0,0,0,0|1,0,2]=4 1765 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [0,1,0,0,0,0|2,0,0]=3 1766 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [0,1,0,0,0,0|2,0,0]=3 1767 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,0|1,0,0]=2 1768 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,0|1,0,0]=2 1769 B11R1.17 Cc1ccccc1SCC#N 62a_100000210755_100011215382 [0,1,0,0,0,0|2,0,1]=4 1770 B11R1.17 Cc1ccccc1SCC#N 62a_100011215382_100000210755 [0,1,0,0,0,0|2,0,1]=4 1771 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,1,0,0,0,0|1,0,2]=4 1772 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,1,0,0,0,0|1,0,2]=4 1773 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [0,1,0,0,0,0|2,0,0]=3 1774 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [0,1,0,0,0,0|2,0,0]=3 1775 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,0|1,0,0]=2 1776 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,0|1,0,0]=2 1777 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.17 Cc1cccnc1CNCF 34a_100011223789_100015361967 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.17 Cc1cccnc1COCF 34a_100000698912_100015361967 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.17 Cc1cccnc1CSCF 62a_100000696600_100015361967 [0,1,0,0,0,0|3,0,0]=4 1782 B11R1.17 Cc1cccnc1CSCF 62a_100015361967_100000696600 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.17 Cc1cccnc1SCCF 62a_100000751373_100011217306 [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.17 Cc1cccnc1SCCF 62a_100011217306_100000751373 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [0,1,0,0,0,0|2,0,0]=3 1786 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [0,1,0,0,0,0|2,0,0]=3 1787 B11R1.17 Cc1ccncc1COCF 34a_100011996381_100015361967 [0,1,0,0,0,0|3,0,0]=4 1788 B11R1.17 Cc1ccncc1CSCF 62a_100000690890_100015361967 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.17 Cc1ccncc1CSCF 62a_100015361967_100000690890 [0,1,0,0,0,0|3,0,0]=4 1790 B11R1.17 Cc1ccncc1OCCF 34a_100011997053_100011217306 [0,1,0,0,0,0|3,0,0]=4 1791 B11R1.17 Cc1ccncc1OCCF 7a_100011997053_100011217306 [0,1,0,0,0,0|3,0,0]=4 1792 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [0,1,0,0,0,0|2,0,0]=3 1793 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [0,1,0,0,0,0|2,0,0]=3 1794 B11R1.17 Cc1ccncc1SCCF 62a_100000761580_100011217306 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.17 Cc1ccncc1SCCF 62a_100011217306_100000761580 [0,1,0,0,0,0|3,0,0]=4 1796 B11R1.17 Cc1ccncc1SCCO 62a_100000211926_100000761580 [0,1,0,0,0,0|2,0,0]=3 1797 B11R1.17 Cc1ccncc1SCCO 62a_100000761580_100000211926 [0,1,0,0,0,0|2,0,0]=3 1798 B11R1.17 Cc1ccnnc1NCCO 27a_100000210304_100000089043 [0,1,0,0,0,0|3,0,0]=4 1799 B11R1.17 Cc1ccnnc1SCCO 62a_100000211926_100000089043 [0,1,0,0,0,0|3,0,0]=4 1800 B11R1.17 Cc1cnccc1COCF 34a_100011997032_100015361967 [0,1,0,0,0,0|3,0,0]=4 1801 B11R1.17 Cc1cnccc1CSCF 62a_100015361967_100020672808 [0,1,0,0,0,0|3,0,0]=4 1802 B11R1.17 Cc1cnccc1CSCF 62a_100020672808_100015361967 [0,1,0,0,0,0|3,0,0]=4 1803 B11R1.17 Cc1cnccc1NCCO 27a_100000210304_100000765111 [0,1,0,0,0,0|2,0,0]=3 1804 B11R1.17 Cc1cnccc1OCCF 34a_100000694293_100011217306 [0,1,0,0,0,0|3,0,0]=4 1805 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [0,1,0,0,0,0|2,0,0]=3 1806 B11R1.17 Cc1cnccc1SCCF 62a_100000765111_100011217306 [0,1,0,0,0,0|3,0,0]=4 1807 B11R1.17 Cc1cnccc1SCCF 62a_100011217306_100000765111 [0,1,0,0,0,0|3,0,0]=4 1808 B11R1.17 Cc1cnccc1SCCO 62a_100000211926_100000765111 [0,1,0,0,0,0|2,0,0]=3 1809 B11R1.17 Cc1cnccc1SCCO 62a_100000765111_100000211926 [0,1,0,0,0,0|2,0,0]=3 1810 B11R1.17 Cc1cncnc1NCCO 27a_100000210304_100011998708 [0,1,0,0,0,0|3,0,0]=4 1811 B11R1.17 Cc1cncnc1SCCO 62a_100000211926_100011998708 [0,1,0,0,0,0|3,0,0]=4 1812 B11R1.17 Cc1cncnc1SCCO 62a_100011998708_100000211926 [0,1,0,0,0,0|3,0,0]=4 1813 B11R1.17 Cc1ncccc1COCF 34a_100000729262_100015361967 [0,1,0,0,0,0|3,0,0]=4 1814 B11R1.17 Cc1ncccc1COCF 7a_100000729262_100015361967 [0,1,0,0,0,0|3,0,0]=4 1815 B11R1.17 Cc1ncccc1CSCF 62a_100000732876_100015361967 [0,1,0,0,0,0|3,0,0]=4 1816 B11R1.17 Cc1ncccc1CSCF 62a_100015361967_100000732876 [0,1,0,0,0,0|3,0,0]=4 1817 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [0,1,0,0,0,0|3,0,0]=4 1818 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [0,1,0,0,0,0|3,0,0]=4 1819 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [0,1,0,0,0,0|2,0,0]=3 1820 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [0,1,0,0,0,0|2,0,0]=3 1821 B11R1.17 Cc1ncccc1SCCF 62a_100000751574_100011217306 [0,1,0,0,0,0|3,0,0]=4 1822 B11R1.17 Cc1ncccc1SCCF 62a_100011217306_100000751574 [0,1,0,0,0,0|3,0,0]=4 1823 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [0,1,0,0,0,0|2,0,0]=3 1824 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [0,1,0,0,0,0|2,0,0]=3 1825 B11R1.17 Cc1nccnc1NCCO 27a_100000210304_100011999405 [0,1,0,0,0,0|3,0,0]=4 1826 B11R1.17 Cc1nccnc1OCCO 34a_100000766352_100000211926 [0,1,0,0,0,0|3,0,0]=4 1827 B11R1.17 Cc1nccnc1SCCO 62a_100000211926_100011999405 [0,1,0,0,0,0|3,0,0]=4 1828 B11R1.17 Cc1nccnc1SCCO 62a_100011999405_100000211926 [0,1,0,0,0,0|3,0,0]=4 1829 B11R1.17 Cc1ncncc1SCCO 62a_100000211926_100009819671 [0,1,0,0,0,0|3,0,0]=4 1830 B11R1.17 Cc1ncncc1SCCO 62a_100009819671_100000211926 [0,1,0,0,0,0|3,0,0]=4 1831 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [0,1,0,0,0,0|2,0,0]=3 1832 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [0,1,0,0,0,0|2,0,0]=3 1833 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [0,1,0,0,0,0|2,0,0]=3 1834 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [0,1,0,0,0,0|2,0,0]=3 1835 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [0,1,0,0,0,0|2,0,0]=3 1836 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [0,1,0,0,0,0|2,0,0]=3 1837 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [0,1,0,0,0,0|2,0,0]=3 1838 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [0,1,0,0,0,0|2,0,0]=3 1839 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [0,1,0,0,0,0|2,0,0]=3 1840 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [0,1,0,0,0,0|2,0,0]=3 1841 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [0,1,0,0,0,0|2,0,0]=3 1842 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [0,1,0,0,0,0|2,0,0]=3 1843 B11R1.17 FCCOc1cccnc1Br 34a_100000744436_100011217306 [0,1,0,0,0,0|3,0,0]=4 1844 B11R1.17 FCCOc1cccnc1Br 7a_100000744436_100011217306 [0,1,0,0,0,0|3,0,0]=4 1845 B11R1.17 FCCOc1cccnc1Cl 34a_100000757616_100011217306 [0,1,0,0,0,0|3,0,0]=4 1846 B11R1.17 FCCOc1cccnc1Cl 7a_100000757616_100011217306 [0,1,0,0,0,0|3,0,0]=4 1847 B11R1.17 FCCOc1cccnc1F 34a_100000061740_100011217306 [0,1,0,0,0,0|3,0,0]=4 1848 B11R1.17 FCCOc1cccnc1F 7a_100000061740_100011217306 [0,1,0,0,0,0|3,0,0]=4 1849 B11R1.17 FCCOc1cccnc1I 34a_100000034122_100011217306 [0,1,0,0,0,0|3,0,0]=4 1850 B11R1.17 FCCOc1cccnc1I 7a_100000034122_100011217306 [0,1,0,0,0,0|3,0,0]=4 1851 B11R1.17 FCCOc1ccncc1Br 34a_100011996408_100011217306 [0,1,0,0,0,0|3,0,0]=4 1852 B11R1.17 FCCOc1ccncc1Cl 34a_100011997054_100011217306 [0,1,0,0,0,0|3,0,0]=4 1853 B11R1.17 FCCOc1ccncc1F 34a_200000081243_100011217306 [0,1,0,0,0,0|3,0,0]=4 1854 B11R1.17 FCCOc1cnccc1Cl 34a_100011996695_100011217306 [0,1,0,0,0,0|3,0,0]=4 1855 B11R1.17 FCCOc1cnccc1I 34a_100000050107_100011217306 [0,1,0,0,0,0|3,0,0]=4 1856 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [0,1,0,0,0,0|3,0,0]=4 1857 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [0,1,0,0,0,0|3,0,0]=4 1858 B11R1.17 FCCSc1c[nH]ccc1=S 62a_100011217306_200012280681 [0,1,0,0,0,0|3,0,0]=4 1859 B11R1.17 FCCSc1c[nH]ccc1=S 62a_200012280681_100011217306 [0,1,0,0,0,0|3,0,0]=4 1860 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [0,1,0,0,0,0|2,0,0]=3 1861 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [0,1,0,0,0,0|2,0,0]=3 1862 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [0,1,0,0,0,0|2,0,0]=3 1863 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [0,1,0,0,0,0|2,0,0]=3 1864 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [0,1,0,0,0,0|2,0,0]=3 1865 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [0,1,0,0,0,0|2,0,0]=3 1866 B11R1.17 FCCSc1cccnc1Br 62a_100010202626_100011217306 [0,1,0,0,0,0|3,0,0]=4 1867 B11R1.17 FCCSc1cccnc1Br 62a_100011217306_100010202626 [0,1,0,0,0,0|3,0,0]=4 1868 B11R1.17 FCCSc1cccnc1Cl 62a_100000036424_100011217306 [0,1,0,0,0,0|3,0,0]=4 1869 B11R1.17 FCCSc1cccnc1Cl 62a_100011217306_100000036424 [0,1,0,0,0,0|3,0,0]=4 1870 B11R1.17 FCCSc1cccnc1F 62a_100009816115_100011217306 [0,1,0,0,0,0|3,0,0]=4 1871 B11R1.17 FCCSc1cccnc1F 62a_100011217306_100009816115 [0,1,0,0,0,0|3,0,0]=4 1872 B11R1.17 FCCSc1ccncc1Br 62a_100000726257_100011217306 [0,1,0,0,0,0|3,0,0]=4 1873 B11R1.17 FCCSc1ccncc1Br 62a_100011217306_100000726257 [0,1,0,0,0,0|3,0,0]=4 1874 B11R1.17 FCCSc1ccncc1Cl 62a_100000708259_100011217306 [0,1,0,0,0,0|3,0,0]=4 1875 B11R1.17 FCCSc1ccncc1Cl 62a_100011217306_100000708259 [0,1,0,0,0,0|3,0,0]=4 1876 B11R1.17 FCCSc1ccncc1F 62a_100000047030_100011217306 [0,1,0,0,0,0|3,0,0]=4 1877 B11R1.17 FCCSc1ccncc1F 62a_100011217306_100000047030 [0,1,0,0,0,0|3,0,0]=4 1878 B11R1.17 FCCSc1cnccc1Br 62a_100010138639_100011217306 [0,1,0,0,0,0|3,0,0]=4 1879 B11R1.17 FCCSc1cnccc1Br 62a_100011217306_100010138639 [0,1,0,0,0,0|3,0,0]=4 1880 B11R1.17 FCCSc1cnccc1Cl 62a_100009995489_100011217306 [0,1,0,0,0,0|3,0,0]=4 1881 B11R1.17 FCCSc1cnccc1Cl 62a_100011217306_100009995489 [0,1,0,0,0,0|3,0,0]=4 1882 B11R1.17 FCCSc1cnccc1F 62a_100009820683_100011217306 [0,1,0,0,0,0|3,0,0]=4 1883 B11R1.17 FCCSc1cnccc1F 62a_100011217306_100009820683 [0,1,0,0,0,0|3,0,0]=4 1884 B11R1.17 FCCSc1ncccc1Br 62a_100000696092_100011217306 [0,1,0,0,0,0|3,0,0]=4 1885 B11R1.17 FCCSc1ncccc1Br 62a_100011217306_100000696092 [0,1,0,0,0,0|3,0,0]=4 1886 B11R1.17 FCCSc1ncccc1Cl 62a_100011217306_100011356963 [0,1,0,0,0,0|3,0,0]=4 1887 B11R1.17 FCCSc1ncccc1Cl 62a_100011356963_100011217306 [0,1,0,0,0,0|3,0,0]=4 1888 B11R1.17 FCCSc1ncccc1F 62a_100000685392_100011217306 [0,1,0,0,0,0|3,0,0]=4 1889 B11R1.17 FCCSc1ncccc1F 62a_100011217306_100000685392 [0,1,0,0,0,0|3,0,0]=4 1890 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [0,1,0,0,0,0|2,0,0]=3 1891 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [0,1,0,0,0,0|2,0,0]=3 1892 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [0,1,0,0,0,0|2,0,0]=3 1893 B11R1.17 FCNCc1cccnc1Br 34a_100009818023_100015361967 [0,1,0,0,0,0|3,0,0]=4 1894 B11R1.17 FCNCc1cccnc1Cl 34a_100015189234_100015361967 [0,1,0,0,0,0|3,0,0]=4 1895 B11R1.17 FCNCc1cccnc1F 34a_100000724633_100015361967 [0,1,0,0,0,0|3,0,0]=4 1896 B11R1.17 FCNCc1ccncc1F 34a_100011935246_100015361967 [0,1,0,0,0,0|3,0,0]=4 1897 B11R1.17 FCNCc1ncccc1F 34a_100000690088_100015361967 [0,1,0,0,0,0|3,0,0]=4 1898 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [0,1,0,0,0,0|2,0,0]=3 1899 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [0,1,0,0,0,0|2,0,0]=3 1900 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [0,1,0,0,0,0|2,0,0]=3 1901 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [0,1,0,0,0,0|2,0,0]=3 1902 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [0,1,0,0,0,0|2,0,0]=3 1903 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [0,1,0,0,0,0|2,0,0]=3 1904 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [0,1,0,0,0,0|2,0,0]=3 1905 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [0,1,0,0,0,0|2,0,0]=3 1906 B11R1.17 FCOCc1cccnc1Br 34a_100000719692_100015361967 [0,1,0,0,0,0|3,0,0]=4 1907 B11R1.17 FCOCc1cccnc1Br 7a_100000719692_100015361967 [0,1,0,0,0,0|3,0,0]=4 1908 B11R1.17 FCOCc1cccnc1Cl 34a_100000748726_100015361967 [0,1,0,0,0,0|3,0,0]=4 1909 B11R1.17 FCOCc1cccnc1Cl 7a_100000748726_100015361967 [0,1,0,0,0,0|3,0,0]=4 1910 B11R1.17 FCOCc1cccnc1F 34a_100000079888_100015361967 [0,1,0,0,0,0|3,0,0]=4 1911 B11R1.17 FCOCc1cccnc1F 7a_100000079888_100015361967 [0,1,0,0,0,0|3,0,0]=4 1912 B11R1.17 FCOCc1ccncc1F 34a_100012172863_100015361967 [0,1,0,0,0,0|3,0,0]=4 1913 B11R1.17 FCOCc1cnccc1Cl 34a_100000117392_100015361967 [0,1,0,0,0,0|3,0,0]=4 1914 B11R1.17 FCOCc1ncccc1Br 34a_100011996772_100015361967 [0,1,0,0,0,0|3,0,0]=4 1915 B11R1.17 FCOCc1ncccc1Cl 34a_100012002383_100015361967 [0,1,0,0,0,0|3,0,0]=4 1916 B11R1.17 FCOCc1ncccc1F 34a_100011934865_100015361967 [0,1,0,0,0,0|3,0,0]=4 1917 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [0,1,0,0,0,0|2,0,0]=3 1918 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [0,1,0,0,0,0|2,0,0]=3 1919 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [0,1,0,0,0,0|2,0,0]=3 1920 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [0,1,0,0,0,0|2,0,0]=3 1921 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [0,1,0,0,0,0|2,0,0]=3 1922 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [0,1,0,0,0,0|2,0,0]=3 1923 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [0,1,0,0,0,0|2,0,0]=3 1924 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [0,1,0,0,0,0|2,0,0]=3 1925 B11R1.17 FCSCc1cccnc1Br 62a_100010140945_100015361967 [0,1,0,0,0,0|3,0,0]=4 1926 B11R1.17 FCSCc1cccnc1Br 62a_100015361967_100010140945 [0,1,0,0,0,0|3,0,0]=4 1927 B11R1.17 FCSCc1cccnc1Cl 62a_100000045678_100015361967 [0,1,0,0,0,0|3,0,0]=4 1928 B11R1.17 FCSCc1cccnc1Cl 62a_100015361967_100000045678 [0,1,0,0,0,0|3,0,0]=4 1929 B11R1.17 FCSCc1cccnc1F 62a_100000099810_100015361967 [0,1,0,0,0,0|3,0,0]=4 1930 B11R1.17 FCSCc1cccnc1F 62a_100015361967_100000099810 [0,1,0,0,0,0|3,0,0]=4 1931 B11R1.17 FCSCc1ccncc1Cl 62a_100000763264_100015361967 [0,1,0,0,0,0|3,0,0]=4 1932 B11R1.17 FCSCc1ccncc1Cl 62a_100015361967_100000763264 [0,1,0,0,0,0|3,0,0]=4 1933 B11R1.17 FCSCc1ncccc1Br 62a_100015361967_100025702911 [0,1,0,0,0,0|3,0,0]=4 1934 B11R1.17 FCSCc1ncccc1Br 62a_100025702911_100015361967 [0,1,0,0,0,0|3,0,0]=4 1935 B11R1.17 FCSCc1ncccc1Cl 62a_100000099807_100015361967 [0,1,0,0,0,0|3,0,0]=4 1936 B11R1.17 FCSCc1ncccc1Cl 62a_100015361967_100000099807 [0,1,0,0,0,0|3,0,0]=4 1937 B11R1.17 FCSCc1ncccc1F 62a_100000104219_100015361967 [0,1,0,0,0,0|3,0,0]=4 1938 B11R1.17 FCSCc1ncccc1F 62a_100015361967_100000104219 [0,1,0,0,0,0|3,0,0]=4 1939 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [0,1,0,0,0,0|2,0,1]=4 1940 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [0,1,0,0,0,0|2,0,1]=4 1941 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [0,1,0,0,0,0|2,0,1]=4 1942 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [0,1,0,0,0,0|2,0,1]=4 1943 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [0,1,0,0,0,0|2,0,1]=4 1944 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [0,1,0,0,0,0|2,0,1]=4 1945 B11R1.17 N#CCSc1ccccc1Br 62a_100000695589_100011215382 [0,1,0,0,0,0|2,0,1]=4 1946 B11R1.17 N#CCSc1ccccc1Br 62a_100011215382_100000695589 [0,1,0,0,0,0|2,0,1]=4 1947 B11R1.17 N#CCSc1ccccc1Cl 62a_100000764095_100011215382 [0,1,0,0,0,0|2,0,1]=4 1948 B11R1.17 N#CCSc1ccccc1Cl 62a_100011215382_100000764095 [0,1,0,0,0,0|2,0,1]=4 1949 B11R1.17 N#CCSc1ccccc1F 62a_100011215382_100011215700 [0,1,0,0,0,0|2,0,1]=4 1950 B11R1.17 N#CCSc1ccccc1F 62a_100011215700_100011215382 [0,1,0,0,0,0|2,0,1]=4 1951 B11R1.17 N#CCSc1ccccc1N 62a_100000210017_100011215382 [0,1,0,0,0,0|2,0,1]=4 1952 B11R1.17 N#CCSc1ccccc1N 62a_100011215382_100000210017 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.17 N#CCSc1ccccc1O 62a_100000739446_100011215382 [0,1,0,0,0,0|2,0,1]=4 1954 B11R1.17 N#CCSc1ccccc1O 62a_100011215382_100000739446 [0,1,0,0,0,0|2,0,1]=4 1955 B11R1.17 N#CSCc1ccccc1O 271570a_203496583355_200010199460 [0,1,0,0,0,0|2,0,1]=4 1956 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [0,1,0,0,0,0|2,0,0]=3 1957 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [0,1,0,0,0,0|2,0,0]=3 1958 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,1,0,0,0,0|1,0,2]=4 1959 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,1,0,0,0,0|1,0,2]=4 1960 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|2,0,0]=3 1961 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [0,1,0,0,0,0|2,0,0]=3 1962 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [0,1,0,0,0,0|1,0,0]=2 1963 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [0,1,0,0,0,0|1,0,0]=2 1964 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,1,0,0,0,0|1,0,2]=4 1965 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,1,0,0,0,0|1,0,2]=4 1966 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [0,1,0,0,0,0|2,0,0]=3 1967 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [0,1,0,0,0,0|2,0,0]=3 1968 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [0,1,0,0,0,0|1,0,0]=2 1969 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [0,1,0,0,0,0|1,0,0]=2 1970 B11R1.17 Nc1cccnc1COCF 34a_114873767017_100015361967 [0,1,0,0,0,0|3,0,0]=4 1971 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [0,1,0,0,0,0|3,0,0]=4 1972 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [0,1,0,0,0,0|2,0,0]=3 1973 B11R1.17 Nc1cccnc1SCCF 62a_100000688686_100011217306 [0,1,0,0,0,0|3,0,0]=4 1974 B11R1.17 Nc1cccnc1SCCF 62a_100011217306_100000688686 [0,1,0,0,0,0|3,0,0]=4 1975 B11R1.17 Nc1cccnc1SCCO 62a_100000211926_100000688686 [0,1,0,0,0,0|2,0,0]=3 1976 B11R1.17 Nc1cccnc1SCCO 62a_100000688686_100000211926 [0,1,0,0,0,0|2,0,0]=3 1977 B11R1.17 Nc1ccncc1OCCF 34a_100000753702_100011217306 [0,1,0,0,0,0|3,0,0]=4 1978 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [0,1,0,0,0,0|2,0,0]=3 1979 B11R1.17 Nc1ccncc1SCCF 62a_100000047001_100011217306 [0,1,0,0,0,0|3,0,0]=4 1980 B11R1.17 Nc1ccncc1SCCF 62a_100011217306_100000047001 [0,1,0,0,0,0|3,0,0]=4 1981 B11R1.17 Nc1ccncc1SCCO 62a_100000047001_100000211926 [0,1,0,0,0,0|2,0,0]=3 1982 B11R1.17 Nc1ccncc1SCCO 62a_100000211926_100000047001 [0,1,0,0,0,0|2,0,0]=3 1983 B11R1.17 Nc1cnccc1SCCF 62a_100000756074_100011217306 [0,1,0,0,0,0|3,0,0]=4 1984 B11R1.17 Nc1cnccc1SCCF 62a_100011217306_100000756074 [0,1,0,0,0,0|3,0,0]=4 1985 B11R1.17 Nc1cnccc1SCCO 62a_100000211926_100000756074 [0,1,0,0,0,0|2,0,0]=3 1986 B11R1.17 Nc1cnccc1SCCO 62a_100000756074_100000211926 [0,1,0,0,0,0|2,0,0]=3 1987 B11R1.17 Nc1cncnc1NCCO 27a_100000210304_100000709731 [0,1,0,0,0,0|3,0,0]=4 1988 B11R1.17 Nc1cncnc1SCCO 62a_100000211926_100000709731 [0,1,0,0,0,0|3,0,0]=4 1989 B11R1.17 Nc1cncnc1SCCO 62a_100000709731_100000211926 [0,1,0,0,0,0|3,0,0]=4 1990 B11R1.17 Nc1cnncc1SCCO 62a_100000211926_100009829405 [0,1,0,0,0,0|3,0,0]=4 1991 B11R1.17 Nc1cnncc1SCCO 62a_100009829405_100000211926 [0,1,0,0,0,0|3,0,0]=4 1992 B11R1.17 Nc1ncccc1OCCF 34a_100000211975_100011217306 [0,1,0,0,0,0|3,0,0]=4 1993 B11R1.17 Nc1ncccc1OCCF 7a_100000211975_100011217306 [0,1,0,0,0,0|3,0,0]=4 1994 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [0,1,0,0,0,0|2,0,0]=3 1995 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [0,1,0,0,0,0|2,0,0]=3 1996 B11R1.17 Nc1ncccc1SCCF 62a_100000045569_100011217306 [0,1,0,0,0,0|3,0,0]=4 1997 B11R1.17 Nc1ncccc1SCCF 62a_100011217306_100000045569 [0,1,0,0,0,0|3,0,0]=4 1998 B11R1.17 Nc1ncccc1SCCO 62a_100000045569_100000211926 [0,1,0,0,0,0|2,0,0]=3 1999 B11R1.17 Nc1ncccc1SCCO 62a_100000211926_100000045569 [0,1,0,0,0,0|2,0,0]=3 2000 B11R1.17 Nc1nccnc1SCCO 62a_100000211926_100000747729 [0,1,0,0,0,0|3,0,0]=4 2001 B11R1.17 Nc1nccnc1SCCO 62a_100000747729_100000211926 [0,1,0,0,0,0|3,0,0]=4 2002 B11R1.17 Nc1ncncc1OCCO 7a_100000112926_100000211926 [0,1,0,0,0,0|3,0,0]=4 2003 B11R1.17 Nc1ncncc1SCCO 62a_100000211926_100011996079 [0,1,0,0,0,0|3,0,0]=4 2004 B11R1.17 Nc1ncncc1SCCO 62a_100011996079_100000211926 [0,1,0,0,0,0|3,0,0]=4 2005 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|0,0,2]=3 2006 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,1,0,0,0,0|1,0,2]=4 2007 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,1,0,0,0,0|1,0,2]=4 2008 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,1,0,0,0,0|1,0,2]=4 2009 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,1,0,0,0,0|1,0,2]=4 2010 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,1,0,0,0,0|1,0,2]=4 2011 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,1,0,0,0,0|1,0,2]=4 2012 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,1,0,0,0,0|1,0,2]=4 2013 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,1,0,0,0,0|1,0,2]=4 2014 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,1,0,0,0,0|1,0,2]=4 2015 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,1,0,0,0,0|1,0,2]=4 2016 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,1,0,0,0,0|1,0,2]=4 2017 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,1,0,0,0,0|1,0,2]=4 2018 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,1,0,0,0,0|1,0,2]=4 2019 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,1,0,0,0,0|1,0,2]=4 2020 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,1,0,0,0,0|1,0,2]=4 2021 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,1,0,0,0,0|1,0,2]=4 2022 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,1,0,0,0,0|1,0,2]=4 2023 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,1,0,0,0,0|1,0,2]=4 2024 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,1,0,0,0,0|1,0,2]=4 2025 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,1,0,0,0,0|1,0,2]=4 2026 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,1,0,0,0,0|1,0,2]=4 2027 B11R1.17 O=c1[nH]ccnc1SCCO 62a_100000211926_100000763361 [0,1,0,0,0,0|3,0,0]=4 2028 B11R1.17 O=c1[nH]nccc1NCCO 27a_100000210304_100000087129 [0,1,0,0,0,0|3,0,0]=4 2029 B11R1.17 O=c1[nH]nccc1SCCO 62a_100000211926_100000087129 [0,1,0,0,0,0|3,0,0]=4 2030 B11R1.17 O=c1cc[nH]cc1SCCF 62a_100009998708_100011217306 [0,1,0,0,0,0|3,0,0]=4 2031 B11R1.17 O=c1cc[nH]cc1SCCF 62a_100011217306_100009998708 [0,1,0,0,0,0|3,0,0]=4 2032 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100000211926_100009998708 [0,1,0,0,0,0|2,0,0]=3 2033 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100009998708_100000211926 [0,1,0,0,0,0|2,0,0]=3 2034 B11R1.17 O=c1ccocc1OCCF 34a_100000060831_100011217306 [0,1,0,0,0,0|3,0,0]=4 2035 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [0,1,0,0,0,0|2,0,0]=3 2036 B11R1.17 O=c1occcc1OCCF 34a_100000077404_100011217306 [0,1,0,0,0,0|3,0,0]=4 2037 B11R1.17 O=c1occcc1OCCF 7a_100000077404_100011217306 [0,1,0,0,0,0|3,0,0]=4 2038 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [0,1,0,0,0,0|2,0,0]=3 2039 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [0,1,0,0,0,0|2,0,0]=3 2040 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [0,1,0,0,0,0|0,0,2]=3 2041 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|0,0,0]=1 2042 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [0,1,0,0,0,0|1,0,0]=2 2043 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [0,1,0,0,0,0|1,0,0]=2 2044 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [0,1,0,0,0,0|1,0,0]=2 2045 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [0,1,0,0,0,0|1,0,0]=2 2046 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,1,0,0,0,0|1,0,0]=2 2047 B11R1.17 OCCNc1ccncc1Br 27a_100000210304_100000726257 [0,1,0,0,0,0|2,0,0]=3 2048 B11R1.17 OCCNc1ccncc1F 27a_100000210304_100000035921 [0,1,0,0,0,0|2,0,0]=3 2049 B11R1.17 OCCNc1ncccc1Br 27a_100000210304_100000696092 [0,1,0,0,0,0|2,0,0]=3 2050 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [0,1,0,0,0,0|2,0,0]=3 2051 B11R1.17 OCCNc1nccnc1F 27a_100000210304_200010125657 [0,1,0,0,0,0|3,0,0]=4 2052 B11R1.17 OCCNc1nccnc1O 271570a_203496583355_200011219046 [0,1,0,0,0,0|3,0,0]=4 2053 B11R1.17 OCCNc1ncncc1F 27a_100000210304_100000069762 [0,1,0,0,0,0|3,0,0]=4 2054 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [0,1,0,0,0,0|1,0,0]=2 2055 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [0,1,0,0,0,0|1,0,0]=2 2056 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [0,1,0,0,0,0|1,0,0]=2 2057 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [0,1,0,0,0,0|1,0,0]=2 2058 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [0,1,0,0,0,0|1,0,0]=2 2059 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [0,1,0,0,0,0|1,0,0]=2 2060 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [0,1,0,0,0,0|1,0,0]=2 2061 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [0,1,0,0,0,0|1,0,0]=2 2062 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,1,0,0,0,0|1,0,0]=2 2063 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [0,1,0,0,0,0|2,0,0]=3 2064 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [0,1,0,0,0,0|2,0,0]=3 2065 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [0,1,0,0,0,0|2,0,0]=3 2066 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [0,1,0,0,0,0|2,0,0]=3 2067 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [0,1,0,0,0,0|2,0,0]=3 2068 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [0,1,0,0,0,0|2,0,0]=3 2069 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [0,1,0,0,0,0|2,0,0]=3 2070 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [0,1,0,0,0,0|2,0,0]=3 2071 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [0,1,0,0,0,0|2,0,0]=3 2072 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [0,1,0,0,0,0|2,0,0]=3 2073 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [0,1,0,0,0,0|2,0,0]=3 2074 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [0,1,0,0,0,0|2,0,0]=3 2075 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [0,1,0,0,0,0|2,0,0]=3 2076 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [0,1,0,0,0,0|2,0,0]=3 2077 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [0,1,0,0,0,0|2,0,0]=3 2078 B11R1.17 OCCSc1c[nH]ccc1=S 62a_100000211926_200012280681 [0,1,0,0,0,0|2,0,0]=3 2079 B11R1.17 OCCSc1c[nH]ccc1=S 62a_200012280681_100000211926 [0,1,0,0,0,0|2,0,0]=3 2080 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [0,1,0,0,0,0|1,0,0]=2 2081 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [0,1,0,0,0,0|1,0,0]=2 2082 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [0,1,0,0,0,0|1,0,0]=2 2083 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [0,1,0,0,0,0|1,0,0]=2 2084 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [0,1,0,0,0,0|1,0,0]=2 2085 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [0,1,0,0,0,0|1,0,0]=2 2086 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,1,0,0,0,0|1,0,0]=2 2087 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,1,0,0,0,0|1,0,0]=2 2088 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,1,0,0,0,0|1,0,0]=2 2089 B11R1.17 OCCSc1cccnc1Br 62a_100000211926_100010202626 [0,1,0,0,0,0|2,0,0]=3 2090 B11R1.17 OCCSc1cccnc1Br 62a_100010202626_100000211926 [0,1,0,0,0,0|2,0,0]=3 2091 B11R1.17 OCCSc1cccnc1Cl 62a_100000036424_100000211926 [0,1,0,0,0,0|2,0,0]=3 2092 B11R1.17 OCCSc1cccnc1Cl 62a_100000211926_100000036424 [0,1,0,0,0,0|2,0,0]=3 2093 B11R1.17 OCCSc1cccnc1F 62a_100000211926_100009816115 [0,1,0,0,0,0|2,0,0]=3 2094 B11R1.17 OCCSc1cccnc1F 62a_100009816115_100000211926 [0,1,0,0,0,0|2,0,0]=3 2095 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [0,1,0,0,0,0|2,0,0]=3 2096 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [0,1,0,0,0,0|2,0,0]=3 2097 B11R1.17 OCCSc1ccncc1Br 62a_100000211926_100000726257 [0,1,0,0,0,0|2,0,0]=3 2098 B11R1.17 OCCSc1ccncc1Br 62a_100000726257_100000211926 [0,1,0,0,0,0|2,0,0]=3 2099 B11R1.17 OCCSc1ccncc1Cl 62a_100000211926_100000708259 [0,1,0,0,0,0|2,0,0]=3 2100 B11R1.17 OCCSc1ccncc1Cl 62a_100000708259_100000211926 [0,1,0,0,0,0|2,0,0]=3 2101 B11R1.17 OCCSc1ccncc1F 62a_100000047030_100000211926 [0,1,0,0,0,0|2,0,0]=3 2102 B11R1.17 OCCSc1ccncc1F 62a_100000211926_100000047030 [0,1,0,0,0,0|2,0,0]=3 2103 B11R1.17 OCCSc1ccncc1O 62a_100000211926_100009817591 [0,1,0,0,0,0|2,0,0]=3 2104 B11R1.17 OCCSc1ccncc1O 62a_100009817591_100000211926 [0,1,0,0,0,0|2,0,0]=3 2105 B11R1.17 OCCSc1cnccc1Br 62a_100000211926_100010138639 [0,1,0,0,0,0|2,0,0]=3 2106 B11R1.17 OCCSc1cnccc1Br 62a_100010138639_100000211926 [0,1,0,0,0,0|2,0,0]=3 2107 B11R1.17 OCCSc1cnccc1Cl 62a_100000211926_100009995489 [0,1,0,0,0,0|2,0,0]=3 2108 B11R1.17 OCCSc1cnccc1Cl 62a_100009995489_100000211926 [0,1,0,0,0,0|2,0,0]=3 2109 B11R1.17 OCCSc1cnccc1F 62a_100000211926_100009820683 [0,1,0,0,0,0|2,0,0]=3 2110 B11R1.17 OCCSc1cnccc1F 62a_100009820683_100000211926 [0,1,0,0,0,0|2,0,0]=3 2111 B11R1.17 OCCSc1cncnc1Br 62a_100000211926_200012461658 [0,1,0,0,0,0|3,0,0]=4 2112 B11R1.17 OCCSc1cncnc1Br 62a_200012461658_100000211926 [0,1,0,0,0,0|3,0,0]=4 2113 B11R1.17 OCCSc1cncnc1Cl 62a_100000211926_100000758962 [0,1,0,0,0,0|3,0,0]=4 2114 B11R1.17 OCCSc1cncnc1Cl 62a_100000758962_100000211926 [0,1,0,0,0,0|3,0,0]=4 2115 B11R1.17 OCCSc1cncnc1O 62a_100000211926_100000751107 [0,1,0,0,0,0|3,0,0]=4 2116 B11R1.17 OCCSc1cncnc1O 62a_100000751107_100000211926 [0,1,0,0,0,0|3,0,0]=4 2117 B11R1.17 OCCSc1ncccc1Br 62a_100000211926_100000696092 [0,1,0,0,0,0|2,0,0]=3 2118 B11R1.17 OCCSc1ncccc1Br 62a_100000696092_100000211926 [0,1,0,0,0,0|2,0,0]=3 2119 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [0,1,0,0,0,0|2,0,0]=3 2120 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [0,1,0,0,0,0|2,0,0]=3 2121 B11R1.17 OCCSc1ncccc1F 62a_100000211926_100000685392 [0,1,0,0,0,0|2,0,0]=3 2122 B11R1.17 OCCSc1ncccc1F 62a_100000685392_100000211926 [0,1,0,0,0,0|2,0,0]=3 2123 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [0,1,0,0,0,0|2,0,0]=3 2124 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [0,1,0,0,0,0|2,0,0]=3 2125 B11R1.17 OCCSc1nccnc1Cl 62a_100000211926_100010886584 [0,1,0,0,0,0|3,0,0]=4 2126 B11R1.17 OCCSc1nccnc1Cl 62a_100010886584_100000211926 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.17 OCCSc1nccnc1F 62a_100000211926_200010125657 [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.17 OCCSc1nccnc1F 62a_200010125657_100000211926 [0,1,0,0,0,0|3,0,0]=4 2129 B11R1.17 OCCSc1ncncc1F 62a_100000069762_100000211926 [0,1,0,0,0,0|3,0,0]=4 2130 B11R1.17 OCCSc1ncncc1F 62a_100000211926_100000069762 [0,1,0,0,0,0|3,0,0]=4 2131 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [0,1,0,0,0,0|2,0,0]=3 2132 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|2,0,0]=3 2133 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [0,1,0,0,0,0|2,0,0]=3 2134 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [0,1,0,0,0,0|2,0,0]=3 2135 B11R1.17 Oc1cccnc1CSCF 62a_100015361967_200020655725 [0,1,0,0,0,0|3,0,0]=4 2136 B11R1.17 Oc1cccnc1CSCF 62a_200020655725_100015361967 [0,1,0,0,0,0|3,0,0]=4 2137 B11R1.17 Oc1cccnc1SCCF 62a_100000034122_100011217306 [0,1,0,0,0,0|3,0,0]=4 2138 B11R1.17 Oc1cccnc1SCCF 62a_100011217306_100000034122 [0,1,0,0,0,0|3,0,0]=4 2139 B11R1.17 Oc1cnccc1SCCF 62a_100009817591_100011217306 [0,1,0,0,0,0|3,0,0]=4 2140 B11R1.17 Oc1cnccc1SCCF 62a_100011217306_100009817591 [0,1,0,0,0,0|3,0,0]=4 2141 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [0,1,0,0,0,0|3,0,0]=4 2142 B11R1.17 Oc1ncccc1SCCF 62a_100000760158_100011217306 [0,1,0,0,0,0|3,0,0]=4 2143 B11R1.17 Oc1ncccc1SCCF 62a_100011217306_100000760158 [0,1,0,0,0,0|3,0,0]=4 2144 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|2,0,0]=3 2145 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|2,0,0]=3 2146 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|2,0,0]=3 2147 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|2,0,0]=3 2148 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|2,0,0]=3 2149 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|2,0,0]=3 2150 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|2,0,0]=3 2151 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [0,1,0,0,0,0|3,0,0]=4 2152 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|2,0,0]=3 2153 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|2,0,0]=3 2154 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|2,0,0]=3 2155 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|2,0,0]=3 2156 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|2,0,0]=3 2157 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|2,0,0]=3 2158 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|2,0,0]=3 2159 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|2,0,0]=3 2160 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,0]=3 2161 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|2,0,0]=3 2162 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|2,0,0]=3 2163 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|2,0,0]=3 2164 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|2,0,0]=3 2165 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|2,0,0]=3 2166 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|2,0,0]=3 2167 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|2,0,0]=3 2168 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|2,0,0]=3 2169 B11R1.17 [O-][n+]1ccccc1OCCF 7a_100000211761_100011217306 [0,1,0,0,0,0|3,0,0]=4 2170 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [0,1,0,0,0,0|2,0,0]=3 2171 B11R1.17 [O-][n+]1ccccc1SCCF 62a_100011217306_200000042595 [0,1,0,0,0,0|3,0,0]=4 2172 B11R1.17 [O-][n+]1ccccc1SCCO 62a_100000211926_200000042595 [0,1,0,0,0,0|2,0,0]=3 2173 B11R1.24 C#CCNc1cccc(c1)Br 34a_100000210019_100000184674 [0,1,0,0,0,0|2,0,1]=4 2174 B11R1.24 C#CCNc1cccc(c1)C 2230a_100000188690_100000038162 [0,1,0,0,0,0|2,0,1]=4 2175 B11R1.24 C#CCNc1cccc(c1)C 34a_100000188690_100000184674 [0,1,0,0,0,0|2,0,1]=4 2176 B11R1.24 C#CCNc1cccc(c1)Cl 34a_100000185859_100000184674 [0,1,0,0,0,0|2,0,1]=4 2177 B11R1.24 C#CCNc1cccc(c1)F 34a_100000210047_100000184674 [0,1,0,0,0,0|2,0,1]=4 2178 B11R1.24 C#CCNc1cccc(c1)I 34a_100000211102_100000184674 [0,1,0,0,0,0|2,0,1]=4 2179 B11R1.24 C#CCNc1cccc(c1)O 34a_100000210217_100000184674 [0,1,0,0,0,0|2,0,1]=4 2180 B11R1.24 C#CCOc1cccc(c1)Br 34a_100000210342_100000184674 [0,1,0,0,0,0|2,0,1]=4 2181 B11R1.24 C#CCOc1cccc(c1)Br 7a_100000210342_100000038162 [0,1,0,0,0,0|2,0,1]=4 2182 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [0,1,0,0,0,0|2,0,1]=4 2183 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [0,1,0,0,0,0|2,0,1]=4 2184 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [0,1,0,0,0,0|2,0,1]=4 2185 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [0,1,0,0,0,0|2,0,1]=4 2186 B11R1.24 C#CCOc1cccc(c1)F 34a_100000210426_100000184674 [0,1,0,0,0,0|2,0,1]=4 2187 B11R1.24 C#CCOc1cccc(c1)F 7a_100000210426_100000038162 [0,1,0,0,0,0|2,0,1]=4 2188 B11R1.24 C#CCOc1cccc(c1)I 34a_100000211634_100000184674 [0,1,0,0,0,0|2,0,1]=4 2189 B11R1.24 C#CCOc1cccc(c1)I 7a_100000211634_100000038162 [0,1,0,0,0,0|2,0,1]=4 2190 B11R1.24 C#CCOc1cccc(c1)N 34a_100000210217_100000184674 [0,1,0,0,0,0|2,0,1]=4 2191 B11R1.24 C#CCSc1cccc(c1)Br 62a_100000038162_100000691529 [0,1,0,0,0,0|2,0,1]=4 2192 B11R1.24 C#CCSc1cccc(c1)C 62a_100000038162_100011215228 [0,1,0,0,0,0|2,0,1]=4 2193 B11R1.24 C#CCSc1cccc(c1)Cl 62a_100000038162_100000699651 [0,1,0,0,0,0|2,0,1]=4 2194 B11R1.24 C#CCSc1cccc(c1)F 62a_100000038162_100000685547 [0,1,0,0,0,0|2,0,1]=4 2195 B11R1.24 C#CCSc1cccc(c1)N 62a_100000038162_100000210019 [0,1,0,0,0,0|2,0,1]=4 2196 B11R1.24 C#CCSc1cccc(c1)O 62a_100000038162_100000211634 [0,1,0,0,0,0|2,0,1]=4 2197 B11R1.24 C#CCSc1cccc(c1)[S] 62a_100000038162_114929384022 [0,1,0,0,0,0|2,0,1]=4 2198 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,1,0,0,0,0|2,0,1]=4 2199 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,1,0,0,0,0|2,0,1]=4 2200 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,1,0,0,0,0|2,0,1]=4 2201 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,1,0,0,0,0|2,0,1]=4 2202 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,1,0,0,0,0|2,0,1]=4 2203 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,1,0,0,0,0|2,0,1]=4 2204 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,1,0,0,0,0|2,0,1]=4 2205 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,1,0,0,0,0|2,0,1]=4 2206 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,1,0,0,0,0|2,0,1]=4 2207 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,1,0,0,0,0|2,0,1]=4 2208 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,1,0,0,0,0|2,0,1]=4 2209 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,1,0,0,0,0|2,0,1]=4 2210 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,1,0,0,0,0|2,0,1]=4 2211 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,1,0,0,0,0|2,0,1]=4 2212 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,1,0,0,0,0|2,0,1]=4 2213 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,1,0,0,0,0|2,0,1]=4 2214 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,1,0,0,0,0|2,0,1]=4 2215 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,1,0,0,0,0|2,0,1]=4 2216 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,1,0,0,0,0|2,0,1]=4 2217 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,1,0,0,0,0|2,0,1]=4 2218 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,1,0,0,0,0|2,0,1]=4 2219 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,1,0,0,0,0|2,0,1]=4 2220 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,1,0,0,0,0|2,0,1]=4 2221 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,1,0,0,0,0|2,0,1]=4 2222 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,1,0,0,0,0|2,0,1]=4 2223 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,1,0,0,0,0|2,0,1]=4 2224 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,1,0,0,0,0|2,0,1]=4 2225 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,1,0,0,0,0|2,0,1]=4 2226 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,1,0,0,0,0|2,0,1]=4 2227 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,1,0,0,0,0|2,0,1]=4 2228 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,1,0,0,0,0|2,0,1]=4 2229 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [0,1,0,0,0,0|3,0,0]=4 2230 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,1,0,0,0,0|2,0,0]=3 2231 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [0,1,0,0,0,0|2,0,0]=3 2232 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [0,1,0,0,0,0|2,0,0]=3 2233 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [0,1,0,0,0,0|2,0,0]=3 2234 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,0,0,0,0|2,0,0]=3 2235 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [0,1,0,0,0,0|3,0,0]=4 2236 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [0,1,0,0,0,0|3,0,0]=4 2237 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [0,1,0,0,0,0|3,0,0]=4 2238 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [0,1,0,0,0,0|3,0,0]=4 2239 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [0,1,0,0,0,0|3,0,0]=4 2240 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [0,1,0,0,0,0|3,0,0]=4 2241 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [0,1,0,0,0,0|2,0,0]=3 2242 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [0,1,0,0,0,0|3,0,0]=4 2243 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [0,1,0,0,0,0|2,0,0]=3 2244 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [0,1,0,0,0,0|2,0,0]=3 2245 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,0,0,0,0|2,0,0]=3 2246 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|1,0,0]=2 2247 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|1,0,0]=2 2248 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|1,0,0]=2 2249 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|1,0,0]=2 2250 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|1,0,0]=2 2251 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|1,0,0]=2 2252 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|1,0,0]=2 2253 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|1,0,0]=2 2254 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,1,0,0,0,0|2,0,0]=3 2255 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,1,0,0,0,0|2,0,0]=3 2256 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,1,0,0,0,0|2,0,0]=3 2257 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,1,0,0,0,0|2,0,0]=3 2258 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [0,1,0,0,0,0|2,0,0]=3 2259 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [0,1,0,0,0,0|2,0,0]=3 2260 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [0,1,0,0,0,0|2,0,0]=3 2261 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [0,1,0,0,0,0|2,0,0]=3 2262 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [0,1,0,0,0,0|2,0,0]=3 2263 B11R1.24 CCCCc1ccnc(n1)C 271570a_100020621405_100000749937 [0,1,0,0,0,0|3,0,0]=4 2264 B11R1.24 CCCCc1ccnc(n1)N 271570a_100020621405_100009820717 [0,1,0,0,0,0|3,0,0]=4 2265 B11R1.24 CCCCc1cn[nH]c(=O)c1 271570a_100020621405_100010197405 [0,1,0,0,0,0|3,0,0]=4 2266 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [0,1,0,0,0,0|2,0,0]=3 2267 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [0,1,0,0,0,0|2,0,0]=3 2268 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [0,1,0,0,0,0|2,0,0]=3 2269 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [0,1,0,0,0,0|2,0,0]=3 2270 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [0,1,0,0,0,0|2,0,0]=3 2271 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,0,0,0,0|2,0,0]=3 2272 B11R1.24 CCCCc1cncc(n1)C 271570a_100020621405_100009842155 [0,1,0,0,0,0|3,0,0]=4 2273 B11R1.24 CCCCc1cncc(n1)F 271570a_100020621405_200009863489 [0,1,0,0,0,0|3,0,0]=4 2274 B11R1.24 CCCCc1cncc(n1)N 271570a_100020621405_100009819714 [0,1,0,0,0,0|3,0,0]=4 2275 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [0,1,0,0,0,0|3,0,0]=4 2276 B11R1.24 CCCCc1cnnc(c1)N 271570a_100020621405_100000130277 [0,1,0,0,0,0|3,0,0]=4 2277 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [0,1,0,0,0,0|3,0,0]=4 2278 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [0,1,0,0,0,0|3,0,0]=4 2279 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [0,1,0,0,0,0|3,0,0]=4 2280 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [0,1,0,0,0,0|2,0,0]=3 2281 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [0,1,0,0,0,0|2,0,0]=3 2282 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [0,1,0,0,0,0|2,0,0]=3 2283 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [0,1,0,0,0,0|2,0,0]=3 2284 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [0,1,0,0,0,0|2,0,0]=3 2285 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [0,1,0,0,0,0|2,0,0]=3 2286 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,1,0,0,0,0|2,0,0]=3 2287 B11R1.24 CCCNc1cccc(n1)O 271570a_203496583355_200025756634 [0,1,0,0,0,0|3,0,0]=4 2288 B11R1.24 CCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210303 [0,1,0,0,0,0|3,0,0]=4 2289 B11R1.24 CCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210303 [0,1,0,0,0,0|3,0,0]=4 2290 B11R1.24 CCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210303 [0,1,0,0,0,0|3,0,0]=4 2291 B11R1.24 CCCOc1cccc(=O)[nH]1 34a_100000033347_100000210303 [0,1,0,0,0,0|3,0,0]=4 2292 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [0,1,0,0,0,0|2,0,0]=3 2293 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [0,1,0,0,0,0|2,0,0]=3 2294 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [0,1,0,0,0,0|2,0,0]=3 2295 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [0,1,0,0,0,0|2,0,0]=3 2296 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,1,0,0,0,0|2,0,0]=3 2297 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,1,0,0,0,0|2,0,0]=3 2298 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [0,1,0,0,0,0|2,0,0]=3 2299 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [0,1,0,0,0,0|2,0,0]=3 2300 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [0,1,0,0,0,0|2,0,0]=3 2301 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [0,1,0,0,0,0|2,0,0]=3 2302 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [0,1,0,0,0,0|2,0,0]=3 2303 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,1,0,0,0,0|2,0,0]=3 2304 B11R1.24 CCCOc1cccc(n1)F 34a_100011432558_100000210303 [0,1,0,0,0,0|3,0,0]=4 2305 B11R1.24 CCCOc1cccc(n1)O 271570a_203496583355_200011960250 [0,1,0,0,0,0|3,0,0]=4 2306 B11R1.24 CCCOc1ccnc(c1)C 34a_100000688365_100000210303 [0,1,0,0,0,0|3,0,0]=4 2307 B11R1.24 CCCOc1ccnc(c1)Cl 34a_100000762945_100000210303 [0,1,0,0,0,0|3,0,0]=4 2308 B11R1.24 CCCOc1ccnc(c1)F 34a_100000732698_100000210303 [0,1,0,0,0,0|3,0,0]=4 2309 B11R1.24 CCCOc1ccnc(c1)N 34a_100011834064_100000210303 [0,1,0,0,0,0|3,0,0]=4 2310 B11R1.24 CCCOc1cncc(c1)Br 34a_100000754920_100000210303 [0,1,0,0,0,0|3,0,0]=4 2311 B11R1.24 CCCOc1cncc(c1)Br 7a_100000754920_100000210303 [0,1,0,0,0,0|3,0,0]=4 2312 B11R1.24 CCCOc1cncc(c1)C 34a_100011830280_100000210303 [0,1,0,0,0,0|3,0,0]=4 2313 B11R1.24 CCCOc1cncc(c1)C 7a_100011830280_100000210303 [0,1,0,0,0,0|3,0,0]=4 2314 B11R1.24 CCCOc1cncc(c1)Cl 7a_100000032511_100000210303 [0,1,0,0,0,0|3,0,0]=4 2315 B11R1.24 CCCOc1cncc(c1)F 34a_100011830296_100000210303 [0,1,0,0,0,0|3,0,0]=4 2316 B11R1.24 CCCOc1cncc(c1)F 7a_100011830296_100000210303 [0,1,0,0,0,0|3,0,0]=4 2317 B11R1.24 CCCOc1cncc(c1)N 34a_100011997051_100000210303 [0,1,0,0,0,0|3,0,0]=4 2318 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [0,1,0,0,0,0|3,0,0]=4 2319 B11R1.24 CCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210303 [0,1,0,0,0,0|3,0,0]=4 2320 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [0,1,0,0,0,0|3,0,0]=4 2321 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [0,1,0,0,0,0|3,0,0]=4 2322 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [0,1,0,0,0,0|3,0,0]=4 2323 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [0,1,0,0,0,0|3,0,0]=4 2324 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [0,1,0,0,0,0|3,0,0]=4 2325 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2326 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [0,1,0,0,0,0|3,0,0]=4 2328 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [0,1,0,0,0,0|3,0,0]=4 2329 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100000210303_100009816521 [0,1,0,0,0,0|3,0,0]=4 2330 B11R1.24 CCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210303 [0,1,0,0,0,0|3,0,0]=4 2331 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100000210303_100009996589 [0,1,0,0,0,0|3,0,0]=4 2332 B11R1.24 CCCSc1ccc[n+](c1)C 62a_100009996589_100000210303 [0,1,0,0,0,0|3,0,0]=4 2333 B11R1.24 CCCSc1ccc[n+](c1)[O-] 62a_100000210303_100009815978 [0,1,0,0,0,0|3,0,0]=4 2334 B11R1.24 CCCSc1cccc(=O)[nH]1 62a_100000210303_100000752884 [0,1,0,0,0,0|3,0,0]=4 2335 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [0,1,0,0,0,0|2,0,0]=3 2336 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [0,1,0,0,0,0|2,0,0]=3 2337 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [0,1,0,0,0,0|2,0,0]=3 2338 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [0,1,0,0,0,0|2,0,0]=3 2339 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [0,1,0,0,0,0|2,0,0]=3 2340 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [0,1,0,0,0,0|2,0,0]=3 2341 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [0,1,0,0,0,0|2,0,0]=3 2342 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [0,1,0,0,0,0|2,0,0]=3 2343 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [0,1,0,0,0,0|2,0,0]=3 2344 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [0,1,0,0,0,0|2,0,0]=3 2345 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,1,0,0,0,0|2,0,0]=3 2346 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,1,0,0,0,0|2,0,0]=3 2347 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [0,1,0,0,0,0|2,0,0]=3 2348 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [0,1,0,0,0,0|2,0,0]=3 2349 B11R1.24 CCCSc1cccc(n1)Br 62a_100000210303_100000684672 [0,1,0,0,0,0|3,0,0]=4 2350 B11R1.24 CCCSc1cccc(n1)Br 62a_100000684672_100000210303 [0,1,0,0,0,0|3,0,0]=4 2351 B11R1.24 CCCSc1cccc(n1)C 62a_100000210303_100000742759 [0,1,0,0,0,0|3,0,0]=4 2352 B11R1.24 CCCSc1cccc(n1)C 62a_100000742759_100000210303 [0,1,0,0,0,0|3,0,0]=4 2353 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000051397_100000210303 [0,1,0,0,0,0|3,0,0]=4 2354 B11R1.24 CCCSc1cccc(n1)Cl 62a_100000210303_100000051397 [0,1,0,0,0,0|3,0,0]=4 2355 B11R1.24 CCCSc1cccc(n1)F 62a_100000210303_100009815982 [0,1,0,0,0,0|3,0,0]=4 2356 B11R1.24 CCCSc1cccc(n1)F 62a_100009815982_100000210303 [0,1,0,0,0,0|3,0,0]=4 2357 B11R1.24 CCCSc1cccc(n1)N 62a_100000210303_100000740741 [0,1,0,0,0,0|3,0,0]=4 2358 B11R1.24 CCCSc1cccc(n1)N 62a_100000740741_100000210303 [0,1,0,0,0,0|3,0,0]=4 2359 B11R1.24 CCCSc1ccnc(c1)Br 62a_100000210303_100009814637 [0,1,0,0,0,0|3,0,0]=4 2360 B11R1.24 CCCSc1ccnc(c1)Br 62a_100009814637_100000210303 [0,1,0,0,0,0|3,0,0]=4 2361 B11R1.24 CCCSc1ccnc(c1)C 62a_100000210303_100000758586 [0,1,0,0,0,0|3,0,0]=4 2362 B11R1.24 CCCSc1ccnc(c1)C 62a_100000758586_100000210303 [0,1,0,0,0,0|3,0,0]=4 2363 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000035001_100000210303 [0,1,0,0,0,0|3,0,0]=4 2364 B11R1.24 CCCSc1ccnc(c1)Cl 62a_100000210303_100000035001 [0,1,0,0,0,0|3,0,0]=4 2365 B11R1.24 CCCSc1ccnc(c1)F 62a_100000210303_100009816116 [0,1,0,0,0,0|3,0,0]=4 2366 B11R1.24 CCCSc1ccnc(c1)F 62a_100009816116_100000210303 [0,1,0,0,0,0|3,0,0]=4 2367 B11R1.24 CCCSc1ccnc(c1)N 62a_100000049665_100000210303 [0,1,0,0,0,0|3,0,0]=4 2368 B11R1.24 CCCSc1ccnc(c1)N 62a_100000210303_100000049665 [0,1,0,0,0,0|3,0,0]=4 2369 B11R1.24 CCCSc1cncc(c1)Br 62a_100000210303_100000728054 [0,1,0,0,0,0|3,0,0]=4 2370 B11R1.24 CCCSc1cncc(c1)Br 62a_100000728054_100000210303 [0,1,0,0,0,0|3,0,0]=4 2371 B11R1.24 CCCSc1cncc(c1)C 62a_100000210303_100000760492 [0,1,0,0,0,0|3,0,0]=4 2372 B11R1.24 CCCSc1cncc(c1)C 62a_100000760492_100000210303 [0,1,0,0,0,0|3,0,0]=4 2373 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000049639_100000210303 [0,1,0,0,0,0|3,0,0]=4 2374 B11R1.24 CCCSc1cncc(c1)Cl 62a_100000210303_100000049639 [0,1,0,0,0,0|3,0,0]=4 2375 B11R1.24 CCCSc1cncc(c1)F 62a_100000210303_100000744099 [0,1,0,0,0,0|3,0,0]=4 2376 B11R1.24 CCCSc1cncc(c1)F 62a_100000744099_100000210303 [0,1,0,0,0,0|3,0,0]=4 2377 B11R1.24 CCCSc1cncc(c1)N 62a_100000210303_100000687067 [0,1,0,0,0,0|3,0,0]=4 2378 B11R1.24 CCCSc1cncc(c1)N 62a_100000687067_100000210303 [0,1,0,0,0,0|3,0,0]=4 2379 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [0,1,0,0,0,0|3,0,0]=4 2380 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [0,1,0,0,0,0|3,0,0]=4 2381 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [0,1,0,0,0,0|3,0,0]=4 2382 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [0,1,0,0,0,0|3,0,0]=4 2383 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [0,1,0,0,0,0|3,0,0]=4 2384 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [0,1,0,0,0,0|3,0,0]=4 2385 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [0,1,0,0,0,0|3,0,0]=4 2386 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [0,1,0,0,0,0|3,0,0]=4 2387 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [0,1,0,0,0,0|3,0,0]=4 2388 B11R1.24 CCNCc1cccc(=O)[nH]1 207a_100015525214_100011935257 [0,1,0,0,0,0|3,0,0]=4 2389 B11R1.24 CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210202 [0,1,0,0,0,0|3,0,0]=4 2390 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,0|2,0,0]=3 2391 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,0|2,0,0]=3 2392 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,0|2,0,0]=3 2393 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,0|2,0,0]=3 2394 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,0|2,0,0]=3 2395 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,0|2,0,0]=3 2396 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,0|2,0,0]=3 2397 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,0|2,0,0]=3 2398 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,0|2,0,0]=3 2399 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,0|2,0,0]=3 2400 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,0|2,0,0]=3 2401 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,0|2,0,0]=3 2402 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,0|2,0,0]=3 2403 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,0|2,0,0]=3 2404 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,0|2,0,0]=3 2405 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,0|2,0,0]=3 2406 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,0|2,0,0]=3 2407 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,0|2,0,0]=3 2408 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,0|2,0,0]=3 2409 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,0|2,0,0]=3 2410 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,0|2,0,0]=3 2411 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,0|2,0,0]=3 2412 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,0|2,0,0]=3 2413 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,0|2,0,0]=3 2414 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,0|2,0,0]=3 2415 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,0|2,0,0]=3 2416 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,0|2,0,0]=3 2417 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,0|2,0,0]=3 2418 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,0|2,0,0]=3 2419 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,0|2,0,0]=3 2420 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,0|2,0,0]=3 2421 B11R1.24 CCNCc1cccc(n1)Br 2230a_100015525214_100009889011 [0,1,0,0,0,0|3,0,0]=4 2422 B11R1.24 CCNCc1cccc(n1)Br 2230a_100016987751_100000210202 [0,1,0,0,0,0|3,0,0]=4 2423 B11R1.24 CCNCc1cccc(n1)Br 270004a_100015525214_100000688028 [0,1,0,0,0,0|3,0,0]=4 2424 B11R1.24 CCNCc1cccc(n1)C 207a_100015525214_100011215050 [0,1,0,0,0,0|3,0,0]=4 2425 B11R1.24 CCNCc1cccc(n1)C 2230a_100015525214_100000757606 [0,1,0,0,0,0|3,0,0]=4 2426 B11R1.24 CCNCc1cccc(n1)C 270004a_100015525214_100011215050 [0,1,0,0,0,0|3,0,0]=4 2427 B11R1.24 CCNCc1cccc(n1)C 34a_100000701342_100000210202 [0,1,0,0,0,0|3,0,0]=4 2428 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100015525214_100000086093 [0,1,0,0,0,0|3,0,0]=4 2429 B11R1.24 CCNCc1cccc(n1)Cl 2230a_100016990191_100000210202 [0,1,0,0,0,0|3,0,0]=4 2430 B11R1.24 CCNCc1cccc(n1)Cl 270004a_100015525214_100011361687 [0,1,0,0,0,0|3,0,0]=4 2431 B11R1.24 CCNCc1cccc(n1)F 2230a_100015188798_100000210202 [0,1,0,0,0,0|3,0,0]=4 2432 B11R1.24 CCNCc1cccc(n1)F 2230a_100015525214_100009819644 [0,1,0,0,0,0|3,0,0]=4 2433 B11R1.24 CCNCc1cccc(n1)F 270004a_100015525214_100000050434 [0,1,0,0,0,0|3,0,0]=4 2434 B11R1.24 CCNCc1cccc(n1)F 34a_100015188798_100000210202 [0,1,0,0,0,0|3,0,0]=4 2435 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100015525214_100010243470 [0,1,0,0,0,0|3,0,0]=4 2436 B11R1.24 CCNCc1ccnc(c1)Br 2230a_100025757509_100000210202 [0,1,0,0,0,0|3,0,0]=4 2437 B11R1.24 CCNCc1ccnc(c1)Br 270004a_100015525214_100009814634 [0,1,0,0,0,0|3,0,0]=4 2438 B11R1.24 CCNCc1ccnc(c1)Br 34a_100025757509_100000210202 [0,1,0,0,0,0|3,0,0]=4 2439 B11R1.24 CCNCc1ccnc(c1)C 207a_100015525214_100011361630 [0,1,0,0,0,0|3,0,0]=4 2440 B11R1.24 CCNCc1ccnc(c1)C 2230a_100015525214_200020672517 [0,1,0,0,0,0|3,0,0]=4 2441 B11R1.24 CCNCc1ccnc(c1)C 270004a_100015525214_100011361630 [0,1,0,0,0,0|3,0,0]=4 2442 B11R1.24 CCNCc1ccnc(c1)C 34a_100011934566_100000210202 [0,1,0,0,0,0|3,0,0]=4 2443 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015205668_100000210202 [0,1,0,0,0,0|3,0,0]=4 2444 B11R1.24 CCNCc1ccnc(c1)Cl 2230a_100015525214_100000764220 [0,1,0,0,0,0|3,0,0]=4 2445 B11R1.24 CCNCc1ccnc(c1)Cl 270004a_100015525214_100011290808 [0,1,0,0,0,0|3,0,0]=4 2446 B11R1.24 CCNCc1ccnc(c1)Cl 34a_100015205668_100000210202 [0,1,0,0,0,0|3,0,0]=4 2447 B11R1.24 CCNCc1ccnc(c1)F 2230a_100015188774_100000210202 [0,1,0,0,0,0|3,0,0]=4 2448 B11R1.24 CCNCc1ccnc(c1)F 270004a_100015525214_100000068331 [0,1,0,0,0,0|3,0,0]=4 2449 B11R1.24 CCNCc1ccnc(c1)F 34a_100015188774_100000210202 [0,1,0,0,0,0|3,0,0]=4 2450 B11R1.24 CCNCc1ccnc(c1)O 207a_100015525214_100000688113 [0,1,0,0,0,0|3,0,0]=4 2451 B11R1.24 CCNCc1cncc(c1)Br 207a_100015525214_100000687066 [0,1,0,0,0,0|3,0,0]=4 2452 B11R1.24 CCNCc1cncc(c1)Br 2230a_100015525214_100000738771 [0,1,0,0,0,0|3,0,0]=4 2453 B11R1.24 CCNCc1cncc(c1)Br 270004a_100015525214_100000687066 [0,1,0,0,0,0|3,0,0]=4 2454 B11R1.24 CCNCc1cncc(c1)C 207a_100015525214_100011998712 [0,1,0,0,0,0|3,0,0]=4 2455 B11R1.24 CCNCc1cncc(c1)C 2230a_100000692839_100000210202 [0,1,0,0,0,0|3,0,0]=4 2456 B11R1.24 CCNCc1cncc(c1)C 2230a_100015525214_100000716715 [0,1,0,0,0,0|3,0,0]=4 2457 B11R1.24 CCNCc1cncc(c1)C 270004a_100015525214_100011998712 [0,1,0,0,0,0|3,0,0]=4 2458 B11R1.24 CCNCc1cncc(c1)C 34a_100000692839_100000210202 [0,1,0,0,0,0|3,0,0]=4 2459 B11R1.24 CCNCc1cncc(c1)Cl 207a_100015525214_100000088910 [0,1,0,0,0,0|3,0,0]=4 2460 B11R1.24 CCNCc1cncc(c1)Cl 2230a_100015525214_100016992070 [0,1,0,0,0,0|3,0,0]=4 2461 B11R1.24 CCNCc1cncc(c1)Cl 2230a_200020614424_100000210202 [0,1,0,0,0,0|3,0,0]=4 2462 B11R1.24 CCNCc1cncc(c1)Cl 270004a_100015525214_100000088910 [0,1,0,0,0,0|3,0,0]=4 2463 B11R1.24 CCNCc1cncc(c1)F 207a_100015525214_100011361476 [0,1,0,0,0,0|3,0,0]=4 2464 B11R1.24 CCNCc1cncc(c1)F 2230a_100011962886_100000210202 [0,1,0,0,0,0|3,0,0]=4 2465 B11R1.24 CCNCc1cncc(c1)F 2230a_100015525214_100000725299 [0,1,0,0,0,0|3,0,0]=4 2466 B11R1.24 CCNCc1cncc(c1)F 270004a_100015525214_100011361476 [0,1,0,0,0,0|3,0,0]=4 2467 B11R1.24 CCNCc1cncc(c1)F 34a_100011962886_100000210202 [0,1,0,0,0,0|3,0,0]=4 2468 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [0,1,0,0,0,0|3,0,0]=4 2469 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [0,1,0,0,0,0|3,0,0]=4 2470 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [0,1,0,0,0,0|3,0,0]=4 2471 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [0,1,0,0,0,0|3,0,0]=4 2472 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [0,1,0,0,0,0|3,0,0]=4 2473 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [0,1,0,0,0,0|3,0,0]=4 2474 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [0,1,0,0,0,0|3,0,0]=4 2475 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [0,1,0,0,0,0|3,0,0]=4 2476 B11R1.24 CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210202 [0,1,0,0,0,0|3,0,0]=4 2477 B11R1.24 CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210202 [0,1,0,0,0,0|3,0,0]=4 2478 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,0|2,0,0]=3 2479 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,0|2,0,0]=3 2480 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,0|2,0,0]=3 2481 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,0|2,0,0]=3 2482 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,0|2,0,0]=3 2483 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,0|2,0,0]=3 2484 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,0|2,0,0]=3 2485 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,0|2,0,0]=3 2486 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,0|2,0,0]=3 2487 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,0|2,0,0]=3 2488 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,0|2,0,0]=3 2489 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,0|2,0,0]=3 2490 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,0|2,0,0]=3 2491 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,0|2,0,0]=3 2492 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,0|2,0,0]=3 2493 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,0|2,0,0]=3 2494 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,0|2,0,0]=3 2495 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,0|2,0,0]=3 2496 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [0,1,0,0,0,0|3,0,0]=4 2497 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [0,1,0,0,0,0|3,0,0]=4 2498 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [0,1,0,0,0,0|3,0,0]=4 2499 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [0,1,0,0,0,0|3,0,0]=4 2500 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [0,1,0,0,0,0|3,0,0]=4 2501 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [0,1,0,0,0,0|3,0,0]=4 2502 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [0,1,0,0,0,0|3,0,0]=4 2503 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [0,1,0,0,0,0|3,0,0]=4 2504 B11R1.24 CCOCc1ccnc(c1)Br 34a_100009814636_100000210202 [0,1,0,0,0,0|3,0,0]=4 2505 B11R1.24 CCOCc1ccnc(c1)Br 34a_100121572206_100010243470 [0,1,0,0,0,0|3,0,0]=4 2506 B11R1.24 CCOCc1ccnc(c1)Br 7a_100009814636_100000210202 [0,1,0,0,0,0|3,0,0]=4 2507 B11R1.24 CCOCc1ccnc(c1)C 34a_100011998630_100000210202 [0,1,0,0,0,0|3,0,0]=4 2508 B11R1.24 CCOCc1ccnc(c1)C 34a_100121572206_200020672517 [0,1,0,0,0,0|3,0,0]=4 2509 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100000748751_100000210202 [0,1,0,0,0,0|3,0,0]=4 2510 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100121572206_100000764220 [0,1,0,0,0,0|3,0,0]=4 2511 B11R1.24 CCOCc1ccnc(c1)F 34a_100000082451_100000210202 [0,1,0,0,0,0|3,0,0]=4 2512 B11R1.24 CCOCc1cncc(c1)Br 34a_100011259137_100000210202 [0,1,0,0,0,0|3,0,0]=4 2513 B11R1.24 CCOCc1cncc(c1)Br 34a_100121572206_100000738771 [0,1,0,0,0,0|3,0,0]=4 2514 B11R1.24 CCOCc1cncc(c1)Br 7a_100011259137_100000210202 [0,1,0,0,0,0|3,0,0]=4 2515 B11R1.24 CCOCc1cncc(c1)C 34a_100011998709_100000210202 [0,1,0,0,0,0|3,0,0]=4 2516 B11R1.24 CCOCc1cncc(c1)C 34a_100121572206_100000716715 [0,1,0,0,0,0|3,0,0]=4 2517 B11R1.24 CCOCc1cncc(c1)C 7a_100011998709_100000210202 [0,1,0,0,0,0|3,0,0]=4 2518 B11R1.24 CCOCc1cncc(c1)Cl 34a_100000092867_100000210202 [0,1,0,0,0,0|3,0,0]=4 2519 B11R1.24 CCOCc1cncc(c1)Cl 34a_100121572206_100016992070 [0,1,0,0,0,0|3,0,0]=4 2520 B11R1.24 CCOCc1cncc(c1)Cl 7a_100000092867_100000210202 [0,1,0,0,0,0|3,0,0]=4 2521 B11R1.24 CCOCc1cncc(c1)F 34a_100011962875_100000210202 [0,1,0,0,0,0|3,0,0]=4 2522 B11R1.24 CCOCc1cncc(c1)F 34a_100121572206_100000725299 [0,1,0,0,0,0|3,0,0]=4 2523 B11R1.24 CCOCc1cncc(c1)F 7a_100011962875_100000210202 [0,1,0,0,0,0|3,0,0]=4 2524 B11R1.24 CCOCc1cncc(c1)N 34a_100000085308_100000210202 [0,1,0,0,0,0|3,0,0]=4 2525 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [0,1,0,0,0,0|3,0,0]=4 2526 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [0,1,0,0,0,0|3,0,0]=4 2527 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [0,1,0,0,0,0|3,0,0]=4 2528 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [0,1,0,0,0,0|3,0,0]=4 2529 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [0,1,0,0,0,0|3,0,0]=4 2530 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [0,1,0,0,0,0|3,0,0]=4 2531 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,0|2,0,0]=3 2532 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,0|2,0,0]=3 2533 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,0|2,0,0]=3 2534 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,0|2,0,0]=3 2535 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,0|2,0,0]=3 2536 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,0|2,0,0]=3 2537 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,0|2,0,0]=3 2538 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,0|2,0,0]=3 2539 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,0|2,0,0]=3 2540 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,0|2,0,0]=3 2541 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,0|2,0,0]=3 2542 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,0|2,0,0]=3 2543 B11R1.24 CCSCc1cccc(n1)Br 62a_100000210202_100009889011 [0,1,0,0,0,0|3,0,0]=4 2544 B11R1.24 CCSCc1cccc(n1)Br 62a_100009889011_100000210202 [0,1,0,0,0,0|3,0,0]=4 2545 B11R1.24 CCSCc1cccc(n1)C 62a_100000210202_100000757606 [0,1,0,0,0,0|3,0,0]=4 2546 B11R1.24 CCSCc1cccc(n1)C 62a_100000757606_100000210202 [0,1,0,0,0,0|3,0,0]=4 2547 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000086093_100000210202 [0,1,0,0,0,0|3,0,0]=4 2548 B11R1.24 CCSCc1cccc(n1)Cl 62a_100000210202_100000086093 [0,1,0,0,0,0|3,0,0]=4 2549 B11R1.24 CCSCc1cccc(n1)F 62a_100000210202_100009819644 [0,1,0,0,0,0|3,0,0]=4 2550 B11R1.24 CCSCc1cccc(n1)F 62a_100009819644_100000210202 [0,1,0,0,0,0|3,0,0]=4 2551 B11R1.24 CCSCc1ccnc(c1)Br 62a_100000210202_100010243470 [0,1,0,0,0,0|3,0,0]=4 2552 B11R1.24 CCSCc1ccnc(c1)Br 62a_100010254460_100000210202 [0,1,0,0,0,0|3,0,0]=4 2553 B11R1.24 CCSCc1ccnc(c1)C 62a_100000210202_200020672517 [0,1,0,0,0,0|3,0,0]=4 2554 B11R1.24 CCSCc1ccnc(c1)C 62a_200020672517_100000210202 [0,1,0,0,0,0|3,0,0]=4 2555 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000210202_100000764220 [0,1,0,0,0,0|3,0,0]=4 2556 B11R1.24 CCSCc1ccnc(c1)Cl 62a_100000764220_100000210202 [0,1,0,0,0,0|3,0,0]=4 2557 B11R1.24 CCSCc1cncc(c1)Br 62a_100000210202_100000738771 [0,1,0,0,0,0|3,0,0]=4 2558 B11R1.24 CCSCc1cncc(c1)Br 62a_100000738771_100000210202 [0,1,0,0,0,0|3,0,0]=4 2559 B11R1.24 CCSCc1cncc(c1)C 62a_100000210202_100000716715 [0,1,0,0,0,0|3,0,0]=4 2560 B11R1.24 CCSCc1cncc(c1)C 62a_100000716715_100000210202 [0,1,0,0,0,0|3,0,0]=4 2561 B11R1.24 CCSCc1cncc(c1)Cl 62a_100000210202_100016992070 [0,1,0,0,0,0|3,0,0]=4 2562 B11R1.24 CCSCc1cncc(c1)Cl 62a_100016992070_100000210202 [0,1,0,0,0,0|3,0,0]=4 2563 B11R1.24 CCSCc1cncc(c1)F 62a_100000210202_100000725299 [0,1,0,0,0,0|3,0,0]=4 2564 B11R1.24 CCSCc1cncc(c1)F 62a_100000725299_100000210202 [0,1,0,0,0,0|3,0,0]=4 2565 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|2,0,0]=3 2566 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|2,0,0]=3 2567 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|2,0,0]=3 2568 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|2,0,0]=3 2569 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|2,0,0]=3 2570 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|2,0,0]=3 2571 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|2,0,0]=3 2572 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|2,0,0]=3 2573 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|2,0,0]=3 2574 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|2,0,0]=3 2575 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|2,0,0]=3 2576 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|2,0,0]=3 2577 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|2,0,0]=3 2578 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|2,0,0]=3 2579 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|2,0,0]=3 2580 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|2,0,0]=3 2581 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|2,0,0]=3 2582 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|2,0,0]=3 2583 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|2,0,0]=3 2584 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|2,0,0]=3 2585 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|2,0,0]=3 2586 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|2,0,0]=3 2587 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [0,1,0,0,0,0|3,0,0]=4 2588 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [0,1,0,0,0,0|3,0,0]=4 2589 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|2,0,0]=3 2590 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|2,0,0]=3 2591 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|2,0,0]=3 2592 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|2,0,0]=3 2593 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|2,0,0]=3 2594 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|2,0,0]=3 2595 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|2,0,0]=3 2596 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|2,0,0]=3 2597 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|2,0,0]=3 2598 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|2,0,0]=3 2599 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|2,0,0]=3 2600 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|2,0,0]=3 2601 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|2,0,0]=3 2602 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [0,1,0,0,0,0|3,0,0]=4 2603 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [0,1,0,0,0,0|3,0,0]=4 2604 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [0,1,0,0,0,0|3,0,0]=4 2605 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [0,1,0,0,0,0|3,0,0]=4 2606 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [0,1,0,0,0,0|3,0,0]=4 2607 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [0,1,0,0,0,0|3,0,0]=4 2608 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [0,1,0,0,0,0|3,0,0]=4 2609 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [0,1,0,0,0,0|3,0,0]=4 2610 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [0,1,0,0,0,0|3,0,0]=4 2611 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [0,1,0,0,0,0|3,0,0]=4 2612 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [0,1,0,0,0,0|3,0,0]=4 2613 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [0,1,0,0,0,0|3,0,0]=4 2614 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [0,1,0,0,0,0|3,0,0]=4 2615 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [0,1,0,0,0,0|3,0,0]=4 2616 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [0,1,0,0,0,0|3,0,0]=4 2617 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [0,1,0,0,0,0|3,0,0]=4 2618 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [0,1,0,0,0,0|3,0,0]=4 2619 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|2,0,0]=3 2620 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|2,0,0]=3 2621 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|2,0,0]=3 2622 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|2,0,0]=3 2623 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|2,0,0]=3 2624 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|2,0,0]=3 2625 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|2,0,0]=3 2626 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|2,0,0]=3 2627 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [0,1,0,0,0,0|3,0,0]=4 2628 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 2629 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 2630 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [0,1,0,0,0,0|3,0,0]=4 2631 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [0,1,0,0,0,0|3,0,0]=4 2632 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [0,1,0,0,0,0|3,0,0]=4 2633 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [0,1,0,0,0,0|3,0,0]=4 2634 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [0,1,0,0,0,0|3,0,0]=4 2635 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [0,1,0,0,0,0|3,0,0]=4 2636 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [0,1,0,0,0,0|3,0,0]=4 2637 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [0,1,0,0,0,0|3,0,0]=4 2638 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [0,1,0,0,0,0|3,0,0]=4 2639 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [0,1,0,0,0,0|3,0,0]=4 2640 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [0,1,0,0,0,0|3,0,0]=4 2641 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [0,1,0,0,0,0|3,0,0]=4 2642 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [0,1,0,0,0,0|3,0,0]=4 2643 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [0,1,0,0,0,0|3,0,0]=4 2644 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [0,1,0,0,0,0|3,0,0]=4 2645 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [0,1,0,0,0,0|3,0,0]=4 2646 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [0,1,0,0,0,0|3,0,0]=4 2647 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [0,1,0,0,0,0|3,0,0]=4 2648 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [0,1,0,0,0,0|3,0,0]=4 2649 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [0,1,0,0,0,0|3,0,0]=4 2650 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [0,1,0,0,0,0|3,0,0]=4 2651 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [0,1,0,0,0,0|3,0,0]=4 2652 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [0,1,0,0,0,0|3,0,0]=4 2653 B11R1.24 C[n+]1cccc(c1)SCCF 62a_100009996589_100011217306 [0,1,0,0,0,0|3,0,0]=4 2654 B11R1.24 C[n+]1cccc(c1)SCCF 62a_100011217306_100009996589 [0,1,0,0,0,0|3,0,0]=4 2655 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100000211926_100009996589 [0,1,0,0,0,0|2,0,0]=3 2656 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100009996589_100000211926 [0,1,0,0,0,0|2,0,0]=3 2657 B11R1.24 Cc1cc(ccn1)CNCF 34a_100011934566_100015361967 [0,1,0,0,0,0|3,0,0]=4 2658 B11R1.24 Cc1cc(ccn1)COCF 34a_100011998630_100015361967 [0,1,0,0,0,0|3,0,0]=4 2659 B11R1.24 Cc1cc(ccn1)CSCF 62a_100015361967_200020672517 [0,1,0,0,0,0|3,0,0]=4 2660 B11R1.24 Cc1cc(ccn1)CSCF 62a_200020672517_100015361967 [0,1,0,0,0,0|3,0,0]=4 2661 B11R1.24 Cc1cc(ccn1)NCCO 27a_100000210304_100000758586 [0,1,0,0,0,0|2,0,0]=3 2662 B11R1.24 Cc1cc(ccn1)OCCF 34a_100000688365_100011217306 [0,1,0,0,0,0|3,0,0]=4 2663 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [0,1,0,0,0,0|2,0,0]=3 2664 B11R1.24 Cc1cc(ccn1)SCCF 62a_100000758586_100011217306 [0,1,0,0,0,0|3,0,0]=4 2665 B11R1.24 Cc1cc(ccn1)SCCF 62a_100011217306_100000758586 [0,1,0,0,0,0|3,0,0]=4 2666 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000211926_100000758586 [0,1,0,0,0,0|2,0,0]=3 2667 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000758586_100000211926 [0,1,0,0,0,0|2,0,0]=3 2668 B11R1.24 Cc1cc(ncn1)NCCO 27a_100000210304_100000744208 [0,1,0,0,0,0|3,0,0]=4 2669 B11R1.24 Cc1cc(ncn1)SCCO 62a_100000211926_100000744208 [0,1,0,0,0,0|3,0,0]=4 2670 B11R1.24 Cc1cc(ncn1)SCCO 62a_100000744208_100000211926 [0,1,0,0,0,0|3,0,0]=4 2671 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|2,0,0]=3 2672 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|2,0,0]=3 2673 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|2,0,0]=3 2674 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|2,0,0]=3 2675 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|2,0,0]=3 2676 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|2,0,0]=3 2677 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [0,1,0,0,0,0|2,0,0]=3 2678 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [0,1,0,0,0,0|2,0,0]=3 2679 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [0,1,0,0,0,0|2,0,0]=3 2680 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [0,1,0,0,0,0|2,0,0]=3 2681 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [0,1,0,0,0,0|2,0,0]=3 2682 B11R1.24 Cc1cccc(c1)NCC#N 2230a_100000188690_100011215382 [0,1,0,0,0,0|2,0,1]=4 2683 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,1,0,0,0,0|1,0,2]=4 2684 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,1,0,0,0,0|1,0,2]=4 2685 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [0,1,0,0,0,0|2,0,0]=3 2686 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [0,1,0,0,0,0|2,0,0]=3 2687 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [0,1,0,0,0,0|1,0,0]=2 2688 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [0,1,0,0,0,0|1,0,0]=2 2689 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [0,1,0,0,0,0|2,0,1]=4 2690 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,1,0,0,0,0|1,0,2]=4 2691 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,1,0,0,0,0|1,0,2]=4 2692 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [0,1,0,0,0,0|2,0,0]=3 2693 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [0,1,0,0,0,0|2,0,0]=3 2694 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,1,0,0,0,0|1,0,0]=2 2695 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,1,0,0,0,0|1,0,0]=2 2696 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215228_100011215382 [0,1,0,0,0,0|2,0,1]=4 2697 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215382_100011215228 [0,1,0,0,0,0|2,0,1]=4 2698 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,1,0,0,0,0|1,0,2]=4 2699 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,1,0,0,0,0|1,0,2]=4 2700 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [0,1,0,0,0,0|2,0,0]=3 2701 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [0,1,0,0,0,0|2,0,0]=3 2702 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [0,1,0,0,0,0|1,0,0]=2 2703 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [0,1,0,0,0,0|1,0,0]=2 2704 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [0,1,0,0,0,0|3,0,0]=4 2705 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [0,1,0,0,0,0|3,0,0]=4 2706 B11R1.24 Cc1cccc(n1)CNCF 34a_100000701342_100015361967 [0,1,0,0,0,0|3,0,0]=4 2707 B11R1.24 Cc1cccc(n1)COCF 34a_100000690600_100015361967 [0,1,0,0,0,0|3,0,0]=4 2708 B11R1.24 Cc1cccc(n1)CSCF 62a_100000757606_100015361967 [0,1,0,0,0,0|3,0,0]=4 2709 B11R1.24 Cc1cccc(n1)CSCF 62a_100015361967_100000757606 [0,1,0,0,0,0|3,0,0]=4 2710 B11R1.24 Cc1cccc(n1)SCCF 62a_100000742759_100011217306 [0,1,0,0,0,0|3,0,0]=4 2711 B11R1.24 Cc1cccc(n1)SCCF 62a_100011217306_100000742759 [0,1,0,0,0,0|3,0,0]=4 2712 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [0,1,0,0,0,0|2,0,0]=3 2713 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [0,1,0,0,0,0|2,0,0]=3 2714 B11R1.24 Cc1ccnc(c1)COCF 34a_100011998357_100015361967 [0,1,0,0,0,0|3,0,0]=4 2715 B11R1.24 Cc1ccnc(c1)CSCF 62a_100000718516_100015361967 [0,1,0,0,0,0|3,0,0]=4 2716 B11R1.24 Cc1ccnc(c1)CSCF 62a_100015361967_100000718516 [0,1,0,0,0,0|3,0,0]=4 2717 B11R1.24 Cc1ccnc(c1)SCCF 62a_100000750283_100011217306 [0,1,0,0,0,0|3,0,0]=4 2718 B11R1.24 Cc1ccnc(c1)SCCF 62a_100011217306_100000750283 [0,1,0,0,0,0|3,0,0]=4 2719 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [0,1,0,0,0,0|2,0,0]=3 2720 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [0,1,0,0,0,0|2,0,0]=3 2721 B11R1.24 Cc1ccnc(n1)NCCO 27a_100000210304_100000750684 [0,1,0,0,0,0|3,0,0]=4 2722 B11R1.24 Cc1ccnc(n1)SCCO 62a_100000211926_100011243806 [0,1,0,0,0,0|3,0,0]=4 2723 B11R1.24 Cc1ccnc(n1)SCCO 62a_100011243806_100000211926 [0,1,0,0,0,0|3,0,0]=4 2724 B11R1.24 Cc1cncc(c1)CNCF 34a_100000692839_100015361967 [0,1,0,0,0,0|3,0,0]=4 2725 B11R1.24 Cc1cncc(c1)COCF 34a_100011998709_100015361967 [0,1,0,0,0,0|3,0,0]=4 2726 B11R1.24 Cc1cncc(c1)COCF 7a_100011998709_100015361967 [0,1,0,0,0,0|3,0,0]=4 2727 B11R1.24 Cc1cncc(c1)CSCF 62a_100000716715_100015361967 [0,1,0,0,0,0|3,0,0]=4 2728 B11R1.24 Cc1cncc(c1)CSCF 62a_100015361967_100000716715 [0,1,0,0,0,0|3,0,0]=4 2729 B11R1.24 Cc1cncc(c1)OCCF 34a_100011830280_100011217306 [0,1,0,0,0,0|3,0,0]=4 2730 B11R1.24 Cc1cncc(c1)OCCF 7a_100011830280_100011217306 [0,1,0,0,0,0|3,0,0]=4 2731 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [0,1,0,0,0,0|2,0,0]=3 2732 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [0,1,0,0,0,0|2,0,0]=3 2733 B11R1.24 Cc1cncc(c1)SCCF 62a_100000760492_100011217306 [0,1,0,0,0,0|3,0,0]=4 2734 B11R1.24 Cc1cncc(c1)SCCF 62a_100011217306_100000760492 [0,1,0,0,0,0|3,0,0]=4 2735 B11R1.24 Cc1cncc(c1)SCCO 62a_100000211926_100000760492 [0,1,0,0,0,0|2,0,0]=3 2736 B11R1.24 Cc1cncc(c1)SCCO 62a_100000760492_100000211926 [0,1,0,0,0,0|2,0,0]=3 2737 B11R1.24 Cc1cncc(n1)NCCO 27a_100000210304_100000754123 [0,1,0,0,0,0|3,0,0]=4 2738 B11R1.24 Cc1cncc(n1)SCCO 62a_100000211926_100000754123 [0,1,0,0,0,0|3,0,0]=4 2739 B11R1.24 Cc1cncc(n1)SCCO 62a_100000754123_100000211926 [0,1,0,0,0,0|3,0,0]=4 2740 B11R1.24 Cc1cnnc(c1)NCCO 27a_100000210304_100000070100 [0,1,0,0,0,0|3,0,0]=4 2741 B11R1.24 Cc1cnnc(c1)OCCO 34a_100000766097_100000211926 [0,1,0,0,0,0|3,0,0]=4 2742 B11R1.24 Cc1cnnc(c1)SCCO 62a_100000070100_100000211926 [0,1,0,0,0,0|3,0,0]=4 2743 B11R1.24 Cc1cnnc(c1)SCCO 62a_100000211926_100000070100 [0,1,0,0,0,0|3,0,0]=4 2744 B11R1.24 Cc1nccc(n1)NCCO 27a_100000210304_100000749937 [0,1,0,0,0,0|3,0,0]=4 2745 B11R1.24 Cc1nccc(n1)SCCO 62a_100000211926_100000749937 [0,1,0,0,0,0|3,0,0]=4 2746 B11R1.24 Cc1nccc(n1)SCCO 62a_100000749937_100000211926 [0,1,0,0,0,0|3,0,0]=4 2747 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [0,1,0,0,0,0|2,0,0]=3 2748 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [0,1,0,0,0,0|2,0,0]=3 2749 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [0,1,0,0,0,0|2,0,0]=3 2750 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [0,1,0,0,0,0|2,0,0]=3 2751 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [0,1,0,0,0,0|2,0,0]=3 2752 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [0,1,0,0,0,0|2,0,0]=3 2753 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [0,1,0,0,0,0|2,0,0]=3 2754 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [0,1,0,0,0,0|2,0,0]=3 2755 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [0,1,0,0,0,0|2,0,0]=3 2756 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [0,1,0,0,0,0|2,0,0]=3 2757 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [0,1,0,0,0,0|2,0,0]=3 2758 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [0,1,0,0,0,0|2,0,0]=3 2759 B11R1.24 FCCOc1cccc(n1)F 34a_100011432558_100011217306 [0,1,0,0,0,0|3,0,0]=4 2760 B11R1.24 FCCOc1ccnc(c1)Cl 34a_100000762945_100011217306 [0,1,0,0,0,0|3,0,0]=4 2761 B11R1.24 FCCOc1ccnc(c1)F 34a_100000732698_100011217306 [0,1,0,0,0,0|3,0,0]=4 2762 B11R1.24 FCCOc1cncc(c1)Br 34a_100000754920_100011217306 [0,1,0,0,0,0|3,0,0]=4 2763 B11R1.24 FCCOc1cncc(c1)Br 7a_100000754920_100011217306 [0,1,0,0,0,0|3,0,0]=4 2764 B11R1.24 FCCOc1cncc(c1)Cl 7a_100000032511_100011217306 [0,1,0,0,0,0|3,0,0]=4 2765 B11R1.24 FCCOc1cncc(c1)F 34a_100011830296_100011217306 [0,1,0,0,0,0|3,0,0]=4 2766 B11R1.24 FCCOc1cncc(c1)F 7a_100011830296_100011217306 [0,1,0,0,0,0|3,0,0]=4 2767 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100010167805_100011217306 [0,1,0,0,0,0|3,0,0]=4 2768 B11R1.24 FCCSc1cc(ccn1)Cl 62a_100011217306_100010167805 [0,1,0,0,0,0|3,0,0]=4 2769 B11R1.24 FCCSc1cc(ccn1)F 62a_100000764206_100011217306 [0,1,0,0,0,0|3,0,0]=4 2770 B11R1.24 FCCSc1cc(ccn1)F 62a_100011217306_100000764206 [0,1,0,0,0,0|3,0,0]=4 2771 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [0,1,0,0,0,0|2,0,0]=3 2772 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [0,1,0,0,0,0|2,0,0]=3 2773 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [0,1,0,0,0,0|2,0,0]=3 2774 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [0,1,0,0,0,0|2,0,0]=3 2775 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [0,1,0,0,0,0|2,0,0]=3 2776 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [0,1,0,0,0,0|2,0,0]=3 2777 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [0,1,0,0,0,0|2,0,0]=3 2778 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [0,1,0,0,0,0|2,0,0]=3 2779 B11R1.24 FCCSc1cccc(n1)Br 62a_100000684672_100011217306 [0,1,0,0,0,0|3,0,0]=4 2780 B11R1.24 FCCSc1cccc(n1)Br 62a_100011217306_100000684672 [0,1,0,0,0,0|3,0,0]=4 2781 B11R1.24 FCCSc1cccc(n1)Cl 62a_100000051397_100011217306 [0,1,0,0,0,0|3,0,0]=4 2782 B11R1.24 FCCSc1cccc(n1)Cl 62a_100011217306_100000051397 [0,1,0,0,0,0|3,0,0]=4 2783 B11R1.24 FCCSc1cccc(n1)F 62a_100009815982_100011217306 [0,1,0,0,0,0|3,0,0]=4 2784 B11R1.24 FCCSc1cccc(n1)F 62a_100011217306_100009815982 [0,1,0,0,0,0|3,0,0]=4 2785 B11R1.24 FCCSc1ccnc(c1)Br 62a_100009814637_100011217306 [0,1,0,0,0,0|3,0,0]=4 2786 B11R1.24 FCCSc1ccnc(c1)Br 62a_100011217306_100009814637 [0,1,0,0,0,0|3,0,0]=4 2787 B11R1.24 FCCSc1ccnc(c1)Cl 62a_100000035001_100011217306 [0,1,0,0,0,0|3,0,0]=4 2788 B11R1.24 FCCSc1ccnc(c1)Cl 62a_100011217306_100000035001 [0,1,0,0,0,0|3,0,0]=4 2789 B11R1.24 FCCSc1ccnc(c1)F 62a_100009816116_100011217306 [0,1,0,0,0,0|3,0,0]=4 2790 B11R1.24 FCCSc1ccnc(c1)F 62a_100011217306_100009816116 [0,1,0,0,0,0|3,0,0]=4 2791 B11R1.24 FCCSc1cncc(c1)Br 62a_100000728054_100011217306 [0,1,0,0,0,0|3,0,0]=4 2792 B11R1.24 FCCSc1cncc(c1)Br 62a_100011217306_100000728054 [0,1,0,0,0,0|3,0,0]=4 2793 B11R1.24 FCCSc1cncc(c1)Cl 62a_100000049639_100011217306 [0,1,0,0,0,0|3,0,0]=4 2794 B11R1.24 FCCSc1cncc(c1)Cl 62a_100011217306_100000049639 [0,1,0,0,0,0|3,0,0]=4 2795 B11R1.24 FCCSc1cncc(c1)F 62a_100000744099_100011217306 [0,1,0,0,0,0|3,0,0]=4 2796 B11R1.24 FCCSc1cncc(c1)F 62a_100011217306_100000744099 [0,1,0,0,0,0|3,0,0]=4 2797 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [0,1,0,0,0,0|2,0,0]=3 2798 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [0,1,0,0,0,0|2,0,0]=3 2799 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [0,1,0,0,0,0|2,0,0]=3 2800 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [0,1,0,0,0,0|2,0,0]=3 2801 B11R1.24 FCNCc1cccc(n1)F 34a_100015188798_100015361967 [0,1,0,0,0,0|3,0,0]=4 2802 B11R1.24 FCNCc1ccnc(c1)Br 34a_100025757509_100015361967 [0,1,0,0,0,0|3,0,0]=4 2803 B11R1.24 FCNCc1ccnc(c1)Cl 34a_100015205668_100015361967 [0,1,0,0,0,0|3,0,0]=4 2804 B11R1.24 FCNCc1ccnc(c1)F 34a_100015188774_100015361967 [0,1,0,0,0,0|3,0,0]=4 2805 B11R1.24 FCNCc1cncc(c1)F 34a_100011962886_100015361967 [0,1,0,0,0,0|3,0,0]=4 2806 B11R1.24 FCOCc1cc(ccn1)Cl 34a_100000748867_100015361967 [0,1,0,0,0,0|3,0,0]=4 2807 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [0,1,0,0,0,0|2,0,0]=3 2808 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [0,1,0,0,0,0|2,0,0]=3 2809 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [0,1,0,0,0,0|2,0,0]=3 2810 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [0,1,0,0,0,0|2,0,0]=3 2811 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [0,1,0,0,0,0|2,0,0]=3 2812 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [0,1,0,0,0,0|2,0,0]=3 2813 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [0,1,0,0,0,0|2,0,0]=3 2814 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [0,1,0,0,0,0|2,0,0]=3 2815 B11R1.24 FCOCc1cccc(n1)Br 34a_100000694195_100015361967 [0,1,0,0,0,0|3,0,0]=4 2816 B11R1.24 FCOCc1cccc(n1)Cl 34a_100011998359_100015361967 [0,1,0,0,0,0|3,0,0]=4 2817 B11R1.24 FCOCc1cccc(n1)F 34a_100000086748_100015361967 [0,1,0,0,0,0|3,0,0]=4 2818 B11R1.24 FCOCc1ccnc(c1)Br 34a_100009814636_100015361967 [0,1,0,0,0,0|3,0,0]=4 2819 B11R1.24 FCOCc1ccnc(c1)Br 7a_100009814636_100015361967 [0,1,0,0,0,0|3,0,0]=4 2820 B11R1.24 FCOCc1ccnc(c1)Cl 34a_100000748751_100015361967 [0,1,0,0,0,0|3,0,0]=4 2821 B11R1.24 FCOCc1ccnc(c1)F 34a_100000082451_100015361967 [0,1,0,0,0,0|3,0,0]=4 2822 B11R1.24 FCOCc1cncc(c1)Br 34a_100011259137_100015361967 [0,1,0,0,0,0|3,0,0]=4 2823 B11R1.24 FCOCc1cncc(c1)Br 7a_100011259137_100015361967 [0,1,0,0,0,0|3,0,0]=4 2824 B11R1.24 FCOCc1cncc(c1)Cl 34a_100000092867_100015361967 [0,1,0,0,0,0|3,0,0]=4 2825 B11R1.24 FCOCc1cncc(c1)Cl 7a_100000092867_100015361967 [0,1,0,0,0,0|3,0,0]=4 2826 B11R1.24 FCOCc1cncc(c1)F 34a_100011962875_100015361967 [0,1,0,0,0,0|3,0,0]=4 2827 B11R1.24 FCOCc1cncc(c1)F 7a_100011962875_100015361967 [0,1,0,0,0,0|3,0,0]=4 2828 B11R1.24 FCSCc1cc(ccn1)Br 62a_100010173614_100015361967 [0,1,0,0,0,0|3,0,0]=4 2829 B11R1.24 FCSCc1cc(ccn1)Br 62a_100015361967_100010173614 [0,1,0,0,0,0|3,0,0]=4 2830 B11R1.24 FCSCc1cc(ccn1)Cl 62a_100015361967_100016988179 [0,1,0,0,0,0|3,0,0]=4 2831 B11R1.24 FCSCc1cc(ccn1)Cl 62a_100016988179_100015361967 [0,1,0,0,0,0|3,0,0]=4 2832 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [0,1,0,0,0,0|2,0,0]=3 2833 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [0,1,0,0,0,0|2,0,0]=3 2834 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [0,1,0,0,0,0|2,0,0]=3 2835 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [0,1,0,0,0,0|2,0,0]=3 2836 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [0,1,0,0,0,0|2,0,0]=3 2837 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [0,1,0,0,0,0|2,0,0]=3 2838 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [0,1,0,0,0,0|2,0,0]=3 2839 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [0,1,0,0,0,0|2,0,0]=3 2840 B11R1.24 FCSCc1cccc(n1)Br 62a_100009889011_100015361967 [0,1,0,0,0,0|3,0,0]=4 2841 B11R1.24 FCSCc1cccc(n1)Br 62a_100015361967_100009889011 [0,1,0,0,0,0|3,0,0]=4 2842 B11R1.24 FCSCc1cccc(n1)Cl 62a_100000086093_100015361967 [0,1,0,0,0,0|3,0,0]=4 2843 B11R1.24 FCSCc1cccc(n1)Cl 62a_100015361967_100000086093 [0,1,0,0,0,0|3,0,0]=4 2844 B11R1.24 FCSCc1cccc(n1)F 62a_100009819644_100015361967 [0,1,0,0,0,0|3,0,0]=4 2845 B11R1.24 FCSCc1cccc(n1)F 62a_100015361967_100009819644 [0,1,0,0,0,0|3,0,0]=4 2846 B11R1.24 FCSCc1ccnc(c1)Br 62a_100010254460_100015361967 [0,1,0,0,0,0|3,0,0]=4 2847 B11R1.24 FCSCc1ccnc(c1)Br 62a_100015361967_100010243470 [0,1,0,0,0,0|3,0,0]=4 2848 B11R1.24 FCSCc1ccnc(c1)Cl 62a_100000764220_100015361967 [0,1,0,0,0,0|3,0,0]=4 2849 B11R1.24 FCSCc1ccnc(c1)Cl 62a_100015361967_100000764220 [0,1,0,0,0,0|3,0,0]=4 2850 B11R1.24 FCSCc1cncc(c1)Br 62a_100000738771_100015361967 [0,1,0,0,0,0|3,0,0]=4 2851 B11R1.24 FCSCc1cncc(c1)Br 62a_100015361967_100000738771 [0,1,0,0,0,0|3,0,0]=4 2852 B11R1.24 FCSCc1cncc(c1)Cl 62a_100015361967_100016992070 [0,1,0,0,0,0|3,0,0]=4 2853 B11R1.24 FCSCc1cncc(c1)Cl 62a_100016992070_100015361967 [0,1,0,0,0,0|3,0,0]=4 2854 B11R1.24 FCSCc1cncc(c1)F 62a_100000725299_100015361967 [0,1,0,0,0,0|3,0,0]=4 2855 B11R1.24 FCSCc1cncc(c1)F 62a_100015361967_100000725299 [0,1,0,0,0,0|3,0,0]=4 2856 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|1,0,1]=3 2857 B11R1.24 N#CCOc1cccc(c1)Br 7a_100000210342_100011215382 [0,1,0,0,0,0|2,0,1]=4 2858 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [0,1,0,0,0,0|2,0,1]=4 2859 B11R1.24 N#CCOc1cccc(c1)F 7a_100000210426_100011215382 [0,1,0,0,0,0|2,0,1]=4 2860 B11R1.24 N#CCOc1cccc(c1)I 7a_100000211634_100011215382 [0,1,0,0,0,0|2,0,1]=4 2861 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [0,1,0,0,0,0|2,0,1]=4 2862 B11R1.24 N#CCSc1cccc(c1)Br 62a_100000691529_100011215382 [0,1,0,0,0,0|2,0,1]=4 2863 B11R1.24 N#CCSc1cccc(c1)Br 62a_100011215382_100000691529 [0,1,0,0,0,0|2,0,1]=4 2864 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100000699651_100011215382 [0,1,0,0,0,0|2,0,1]=4 2865 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100011215382_100000699651 [0,1,0,0,0,0|2,0,1]=4 2866 B11R1.24 N#CCSc1cccc(c1)F 62a_100000685547_100011215382 [0,1,0,0,0,0|2,0,1]=4 2867 B11R1.24 N#CCSc1cccc(c1)F 62a_100011215382_100000685547 [0,1,0,0,0,0|2,0,1]=4 2868 B11R1.24 N#CCSc1cccc(c1)N 62a_100000210019_100011215382 [0,1,0,0,0,0|2,0,1]=4 2869 B11R1.24 N#CCSc1cccc(c1)N 62a_100011215382_100000210019 [0,1,0,0,0,0|2,0,1]=4 2870 B11R1.24 N#CCSc1cccc(c1)O 271570a_203496583355_200011756096 [0,1,0,0,0,0|2,0,1]=4 2871 B11R1.24 N#CCSc1cccc(c1)O 62a_100011215382_100000211634 [0,1,0,0,0,0|2,0,1]=4 2872 B11R1.24 N#CCSc1cccc(c1)[S] 62a_100011215382_114929384022 [0,1,0,0,0,0|2,0,1]=4 2873 B11R1.24 N#CCSc1cccc(c1)[S] 62a_114929384022_100011215382 [0,1,0,0,0,0|2,0,1]=4 2874 B11R1.24 N#CSCc1cccc(c1)O 271570a_203496583355_200010199461 [0,1,0,0,0,0|2,0,1]=4 2875 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|1,0,0]=2 2876 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [0,1,0,0,0,0|2,0,0]=3 2877 B11R1.24 Nc1cc(ccn1)OCCF 34a_100011834064_100011217306 [0,1,0,0,0,0|3,0,0]=4 2878 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [0,1,0,0,0,0|2,0,0]=3 2879 B11R1.24 Nc1cc(ccn1)SCCF 62a_100000049665_100011217306 [0,1,0,0,0,0|3,0,0]=4 2880 B11R1.24 Nc1cc(ccn1)SCCF 62a_100011217306_100000049665 [0,1,0,0,0,0|3,0,0]=4 2881 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000049665_100000211926 [0,1,0,0,0,0|2,0,0]=3 2882 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000211926_100000049665 [0,1,0,0,0,0|2,0,0]=3 2883 B11R1.24 Nc1cc(cnn1)OCCO 34a_200015193112_100000211926 [0,1,0,0,0,0|3,0,0]=4 2884 B11R1.24 Nc1cc(cnn1)SCCO 62a_100000130277_100000211926 [0,1,0,0,0,0|3,0,0]=4 2885 B11R1.24 Nc1cc(cnn1)SCCO 62a_100000211926_100000130277 [0,1,0,0,0,0|3,0,0]=4 2886 B11R1.24 Nc1cc(ncn1)NCCO 27a_100000210304_100000701291 [0,1,0,0,0,0|3,0,0]=4 2887 B11R1.24 Nc1cc(ncn1)SCCO 62a_100000211926_100000701291 [0,1,0,0,0,0|3,0,0]=4 2888 B11R1.24 Nc1cc(ncn1)SCCO 62a_100000701291_100000211926 [0,1,0,0,0,0|3,0,0]=4 2889 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [0,1,0,0,0,0|2,0,0]=3 2890 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,1,0,0,0,0|1,0,2]=4 2891 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|2,0,0]=3 2892 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [0,1,0,0,0,0|1,0,0]=2 2893 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [0,1,0,0,0,0|1,0,2]=4 2894 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [0,1,0,0,0,0|1,0,2]=4 2895 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [0,1,0,0,0,0|2,0,0]=3 2896 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [0,1,0,0,0,0|2,0,0]=3 2897 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [0,1,0,0,0,0|1,0,0]=2 2898 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [0,1,0,0,0,0|1,0,0]=2 2899 B11R1.24 Nc1cccc(n1)SCCF 62a_100000740741_100011217306 [0,1,0,0,0,0|3,0,0]=4 2900 B11R1.24 Nc1cccc(n1)SCCF 62a_100011217306_100000740741 [0,1,0,0,0,0|3,0,0]=4 2901 B11R1.24 Nc1cccc(n1)SCCO 62a_100000211926_100000740741 [0,1,0,0,0,0|2,0,0]=3 2902 B11R1.24 Nc1cccc(n1)SCCO 62a_100000740741_100000211926 [0,1,0,0,0,0|2,0,0]=3 2903 B11R1.24 Nc1ccnc(c1)COCF 34a_100000692640_100015361967 [0,1,0,0,0,0|3,0,0]=4 2904 B11R1.24 Nc1ccnc(c1)SCCF 62a_100009814236_100011217306 [0,1,0,0,0,0|3,0,0]=4 2905 B11R1.24 Nc1ccnc(c1)SCCF 62a_100011217306_100009814236 [0,1,0,0,0,0|3,0,0]=4 2906 B11R1.24 Nc1ccnc(c1)SCCO 62a_100000211926_100009814236 [0,1,0,0,0,0|2,0,0]=3 2907 B11R1.24 Nc1ccnc(c1)SCCO 62a_100009814236_100000211926 [0,1,0,0,0,0|2,0,0]=3 2908 B11R1.24 Nc1ccnc(n1)NCCO 27a_100000210304_100000757536 [0,1,0,0,0,0|3,0,0]=4 2909 B11R1.24 Nc1ccnc(n1)SCCO 62a_100000211926_100000757536 [0,1,0,0,0,0|3,0,0]=4 2910 B11R1.24 Nc1ccnc(n1)SCCO 62a_100000757536_100000211926 [0,1,0,0,0,0|3,0,0]=4 2911 B11R1.24 Nc1cncc(c1)COCF 34a_100000085308_100015361967 [0,1,0,0,0,0|3,0,0]=4 2912 B11R1.24 Nc1cncc(c1)OCCF 34a_100011997051_100011217306 [0,1,0,0,0,0|3,0,0]=4 2913 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [0,1,0,0,0,0|2,0,0]=3 2914 B11R1.24 Nc1cncc(c1)SCCF 62a_100000687067_100011217306 [0,1,0,0,0,0|3,0,0]=4 2915 B11R1.24 Nc1cncc(c1)SCCF 62a_100011217306_100000687067 [0,1,0,0,0,0|3,0,0]=4 2916 B11R1.24 Nc1cncc(c1)SCCO 62a_100000211926_100000687067 [0,1,0,0,0,0|2,0,0]=3 2917 B11R1.24 Nc1cncc(c1)SCCO 62a_100000687067_100000211926 [0,1,0,0,0,0|2,0,0]=3 2918 B11R1.24 Nc1cncc(n1)SCCO 62a_100000211926_100000747728 [0,1,0,0,0,0|3,0,0]=4 2919 B11R1.24 Nc1cncc(n1)SCCO 62a_100000747728_100000211926 [0,1,0,0,0,0|3,0,0]=4 2920 B11R1.24 Nc1cnnc(c1)SCCO 62a_100000211926_100011996757 [0,1,0,0,0,0|3,0,0]=4 2921 B11R1.24 Nc1cnnc(c1)SCCO 62a_100011996757_100000211926 [0,1,0,0,0,0|3,0,0]=4 2922 B11R1.24 Nc1nccc(n1)NCCO 27a_100000210304_100000055538 [0,1,0,0,0,0|3,0,0]=4 2923 B11R1.24 Nc1nccc(n1)SCCO 62a_100000055538_100000211926 [0,1,0,0,0,0|3,0,0]=4 2924 B11R1.24 Nc1nccc(n1)SCCO 62a_100000211926_100000055538 [0,1,0,0,0,0|3,0,0]=4 2925 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [0,1,0,0,0,0|1,0,2]=4 2926 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,1,0,0,0,0|1,0,2]=4 2927 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [0,1,0,0,0,0|1,0,2]=4 2928 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [0,1,0,0,0,0|1,0,2]=4 2929 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [0,1,0,0,0,0|1,0,2]=4 2930 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,1,0,0,0,0|1,0,2]=4 2931 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,1,0,0,0,0|1,0,2]=4 2932 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,1,0,0,0,0|1,0,2]=4 2933 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,1,0,0,0,0|1,0,2]=4 2934 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,1,0,0,0,0|1,0,2]=4 2935 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,1,0,0,0,0|1,0,2]=4 2936 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,1,0,0,0,0|1,0,2]=4 2937 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,1,0,0,0,0|1,0,2]=4 2938 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [0,1,0,0,0,0|1,0,2]=4 2939 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [0,1,0,0,0,0|1,0,2]=4 2940 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,1,0,0,0,0|1,0,2]=4 2941 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,1,0,0,0,0|1,0,2]=4 2942 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [0,1,0,0,0,0|1,0,2]=4 2943 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [0,1,0,0,0,0|1,0,2]=4 2944 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [0,1,0,0,0,0|1,0,2]=4 2945 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [0,1,0,0,0,0|1,0,2]=4 2946 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [0,1,0,0,0,0|1,0,2]=4 2947 B11R1.24 O=c1cc(cc[nH]1)NCCO 27a_100000210304_100000061649 [0,1,0,0,0,0|2,0,0]=3 2948 B11R1.24 O=c1cc(cc[nH]1)OCCF 34a_100000032262_100011217306 [0,1,0,0,0,0|3,0,0]=4 2949 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [0,1,0,0,0,0|2,0,0]=3 2950 B11R1.24 O=c1cc(cc[nH]1)SCCF 62a_100009816521_100011217306 [0,1,0,0,0,0|3,0,0]=4 2951 B11R1.24 O=c1cc(cc[nH]1)SCCF 62a_100011217306_100009816521 [0,1,0,0,0,0|3,0,0]=4 2952 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100000211926_100009816521 [0,1,0,0,0,0|2,0,0]=3 2953 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100009816521_100000211926 [0,1,0,0,0,0|2,0,0]=3 2954 B11R1.24 O=c1cc(cn[nH]1)SCCO 62a_100000211926_100010197405 [0,1,0,0,0,0|3,0,0]=4 2955 B11R1.24 O=c1cc(nc[nH]1)SCCO 62a_100012002517_100000211926 [0,1,0,0,0,0|3,0,0]=4 2956 B11R1.24 O=c1cc[nH]c(c1)SCCF 62a_100009817434_100011217306 [0,1,0,0,0,0|3,0,0]=4 2957 B11R1.24 O=c1cc[nH]c(c1)SCCO 62a_100009817434_100000211926 [0,1,0,0,0,0|2,0,0]=3 2958 B11R1.24 O=c1cccc([nH]1)OCCF 34a_100000033347_100011217306 [0,1,0,0,0,0|3,0,0]=4 2959 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [0,1,0,0,0,0|2,0,0]=3 2960 B11R1.24 O=c1cccc([nH]1)SCCF 62a_100011217306_100000752884 [0,1,0,0,0,0|3,0,0]=4 2961 B11R1.24 O=c1cccc([nH]1)SCCO 62a_100000211926_100000752884 [0,1,0,0,0,0|2,0,0]=3 2962 B11R1.24 O=c1nc(cc[nH]1)NCCO 27a_100000210304_200000134032 [0,1,0,0,0,0|3,0,0]=4 2963 B11R1.24 O=c1nc(cc[nH]1)SCCO 62a_100000211926_200000134032 [0,1,0,0,0,0|3,0,0]=4 2964 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [0,1,0,0,0,0|0,0,2]=3 2965 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|0,0,0]=1 2966 B11R1.24 OCCNc1cc(ccn1)F 27a_100000210304_100000764206 [0,1,0,0,0,0|2,0,0]=3 2967 B11R1.24 OCCNc1cc(ncn1)F 27a_100000210304_200009880791 [0,1,0,0,0,0|3,0,0]=4 2968 B11R1.24 OCCNc1cc(ncn1)O 271570a_203496583355_200011443279 [0,1,0,0,0,0|3,0,0]=4 2969 B11R1.24 OCCNc1cc(ncn1)O 27a_100000210304_100000765262 [0,1,0,0,0,0|3,0,0]=4 2970 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [0,1,0,0,0,0|1,0,0]=2 2971 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [0,1,0,0,0,0|1,0,0]=2 2972 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [0,1,0,0,0,0|1,0,0]=2 2973 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [0,1,0,0,0,0|1,0,0]=2 2974 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [0,1,0,0,0,0|1,0,0]=2 2975 B11R1.24 OCCNc1cccc(n1)F 27a_100000210304_100009815982 [0,1,0,0,0,0|2,0,0]=3 2976 B11R1.24 OCCNc1cccc(n1)O 271570a_203496583355_200011880208 [0,1,0,0,0,0|2,0,0]=3 2977 B11R1.24 OCCNc1ccnc(c1)F 27a_100000210304_100009816116 [0,1,0,0,0,0|2,0,0]=3 2978 B11R1.24 OCCNc1cncc(n1)Cl 27a_100000210304_100010892449 [0,1,0,0,0,0|3,0,0]=4 2979 B11R1.24 OCCNc1cncc(n1)F 27a_100000210304_200009863489 [0,1,0,0,0,0|3,0,0]=4 2980 B11R1.24 OCCNc1nccc(n1)O 27a_100000210304_100011649813 [0,1,0,0,0,0|3,0,0]=4 2981 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [0,1,0,0,0,0|1,0,0]=2 2982 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [0,1,0,0,0,0|1,0,0]=2 2983 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [0,1,0,0,0,0|1,0,0]=2 2984 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [0,1,0,0,0,0|1,0,0]=2 2985 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [0,1,0,0,0,0|1,0,0]=2 2986 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [0,1,0,0,0,0|1,0,0]=2 2987 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [0,1,0,0,0,0|1,0,0]=2 2988 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [0,1,0,0,0,0|1,0,0]=2 2989 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [0,1,0,0,0,0|1,0,0]=2 2990 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [0,1,0,0,0,0|2,0,0]=3 2991 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [0,1,0,0,0,0|2,0,0]=3 2992 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [0,1,0,0,0,0|2,0,0]=3 2993 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [0,1,0,0,0,0|2,0,0]=3 2994 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [0,1,0,0,0,0|2,0,0]=3 2995 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [0,1,0,0,0,0|2,0,0]=3 2996 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [0,1,0,0,0,0|2,0,0]=3 2997 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [0,1,0,0,0,0|2,0,0]=3 2998 B11R1.24 OCCOc1cnnc(c1)Cl 34a_200010734679_100000211926 [0,1,0,0,0,0|3,0,0]=4 2999 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100000211926_100010167805 [0,1,0,0,0,0|2,0,0]=3 3000 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100010167805_100000211926 [0,1,0,0,0,0|2,0,0]=3 3001 B11R1.24 OCCSc1cc(ccn1)F 62a_100000211926_100000764206 [0,1,0,0,0,0|2,0,0]=3 3002 B11R1.24 OCCSc1cc(ccn1)F 62a_100000764206_100000211926 [0,1,0,0,0,0|2,0,0]=3 3003 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [0,1,0,0,0,0|2,0,0]=3 3004 B11R1.24 OCCSc1cc(cnn1)O 62a_100000211926_200010734679 [0,1,0,0,0,0|3,0,0]=4 3005 B11R1.24 OCCSc1cc(ncn1)Cl 62a_100000211926_100010161198 [0,1,0,0,0,0|3,0,0]=4 3006 B11R1.24 OCCSc1cc(ncn1)Cl 62a_100010161198_100000211926 [0,1,0,0,0,0|3,0,0]=4 3007 B11R1.24 OCCSc1cc(ncn1)F 62a_100000211926_200009880791 [0,1,0,0,0,0|3,0,0]=4 3008 B11R1.24 OCCSc1cc(ncn1)F 62a_200009880791_100000211926 [0,1,0,0,0,0|3,0,0]=4 3009 B11R1.24 OCCSc1cc(ncn1)O 62a_100000211926_100000765262 [0,1,0,0,0,0|3,0,0]=4 3010 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [0,1,0,0,0,0|1,0,0]=2 3011 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [0,1,0,0,0,0|1,0,0]=2 3012 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [0,1,0,0,0,0|1,0,0]=2 3013 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [0,1,0,0,0,0|1,0,0]=2 3014 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [0,1,0,0,0,0|1,0,0]=2 3015 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [0,1,0,0,0,0|1,0,0]=2 3016 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [0,1,0,0,0,0|1,0,0]=2 3017 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [0,1,0,0,0,0|1,0,0]=2 3018 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [0,1,0,0,0,0|1,0,0]=2 3019 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [0,1,0,0,0,0|1,0,0]=2 3020 B11R1.24 OCCSc1cccc(n1)Br 62a_100000211926_100000684672 [0,1,0,0,0,0|2,0,0]=3 3021 B11R1.24 OCCSc1cccc(n1)Br 62a_100000684672_100000211926 [0,1,0,0,0,0|2,0,0]=3 3022 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000051397_100000211926 [0,1,0,0,0,0|2,0,0]=3 3023 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000211926_100000051397 [0,1,0,0,0,0|2,0,0]=3 3024 B11R1.24 OCCSc1cccc(n1)F 62a_100000211926_100009815982 [0,1,0,0,0,0|2,0,0]=3 3025 B11R1.24 OCCSc1cccc(n1)F 62a_100009815982_100000211926 [0,1,0,0,0,0|2,0,0]=3 3026 B11R1.24 OCCSc1ccnc(c1)Br 62a_100000211926_100009814637 [0,1,0,0,0,0|2,0,0]=3 3027 B11R1.24 OCCSc1ccnc(c1)Br 62a_100009814637_100000211926 [0,1,0,0,0,0|2,0,0]=3 3028 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000035001_100000211926 [0,1,0,0,0,0|2,0,0]=3 3029 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000211926_100000035001 [0,1,0,0,0,0|2,0,0]=3 3030 B11R1.24 OCCSc1ccnc(c1)F 62a_100000211926_100009816116 [0,1,0,0,0,0|2,0,0]=3 3031 B11R1.24 OCCSc1ccnc(c1)F 62a_100009816116_100000211926 [0,1,0,0,0,0|2,0,0]=3 3032 B11R1.24 OCCSc1ccnc(n1)Cl 62a_100000211926_100010154678 [0,1,0,0,0,0|3,0,0]=4 3033 B11R1.24 OCCSc1ccnc(n1)Cl 62a_100010154678_100000211926 [0,1,0,0,0,0|3,0,0]=4 3034 B11R1.24 OCCSc1cncc(c1)Br 62a_100000211926_100000728054 [0,1,0,0,0,0|2,0,0]=3 3035 B11R1.24 OCCSc1cncc(c1)Br 62a_100000728054_100000211926 [0,1,0,0,0,0|2,0,0]=3 3036 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000049639_100000211926 [0,1,0,0,0,0|2,0,0]=3 3037 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000211926_100000049639 [0,1,0,0,0,0|2,0,0]=3 3038 B11R1.24 OCCSc1cncc(c1)F 62a_100000211926_100000744099 [0,1,0,0,0,0|2,0,0]=3 3039 B11R1.24 OCCSc1cncc(c1)F 62a_100000744099_100000211926 [0,1,0,0,0,0|2,0,0]=3 3040 B11R1.24 OCCSc1cncc(c1)O 62a_100000211926_100000754920 [0,1,0,0,0,0|2,0,0]=3 3041 B11R1.24 OCCSc1cncc(c1)O 62a_100000754920_100000211926 [0,1,0,0,0,0|2,0,0]=3 3042 B11R1.24 OCCSc1cncc(n1)Cl 62a_100000211926_100010892449 [0,1,0,0,0,0|3,0,0]=4 3043 B11R1.24 OCCSc1cncc(n1)Cl 62a_100010892449_100000211926 [0,1,0,0,0,0|3,0,0]=4 3044 B11R1.24 OCCSc1cncc(n1)F 62a_100000211926_200009863489 [0,1,0,0,0,0|3,0,0]=4 3045 B11R1.24 OCCSc1cncc(n1)F 62a_200009863489_100000211926 [0,1,0,0,0,0|3,0,0]=4 3046 B11R1.24 OCCSc1cncc(n1)O 62a_100000211926_100011269956 [0,1,0,0,0,0|3,0,0]=4 3047 B11R1.24 OCCSc1nccc(n1)O 62a_100000211926_100011649813 [0,1,0,0,0,0|3,0,0]=4 3048 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [0,1,0,0,0,0|2,0,0]=3 3049 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [0,1,0,0,0,0|2,0,0]=3 3050 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [0,1,0,0,0,0|2,0,0]=3 3051 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|2,0,0]=3 3052 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [0,1,0,0,0,0|2,0,0]=3 3053 B11R1.24 Oc1ccnc(c1)SCCF 62a_100011217306_100000762945 [0,1,0,0,0,0|3,0,0]=4 3054 B11R1.24 Oc1cncc(c1)SCCF 62a_100000754920_100011217306 [0,1,0,0,0,0|3,0,0]=4 3055 B11R1.24 Oc1cncc(c1)SCCF 62a_100011217306_100000754920 [0,1,0,0,0,0|3,0,0]=4 3056 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|2,0,0]=3 3057 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|2,0,0]=3 3058 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|2,0,0]=3 3059 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|2,0,0]=3 3060 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|2,0,0]=3 3061 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|2,0,0]=3 3062 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|2,0,0]=3 3063 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|2,0,0]=3 3064 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|2,0,0]=3 3065 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|2,0,0]=3 3066 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|2,0,0]=3 3067 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|2,0,0]=3 3068 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|2,0,0]=3 3069 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|2,0,0]=3 3070 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|2,0,0]=3 3071 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [0,1,0,0,0,0|3,0,0]=4 3072 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [0,1,0,0,0,0|3,0,0]=4 3073 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|2,0,0]=3 3074 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|2,0,0]=3 3075 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|2,0,0]=3 3076 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|2,0,0]=3 3077 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|2,0,0]=3 3078 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|2,0,0]=3 3079 B11R1.24 [O-][n+]1cccc(c1)COCF 34a_100000037817_100015361967 [0,1,0,0,0,0|3,0,0]=4 3080 B11R1.24 [O-][n+]1cccc(c1)COCF 7a_100000037817_100015361967 [0,1,0,0,0,0|3,0,0]=4 3081 B11R1.24 [O-][n+]1cccc(c1)OCCF 34a_100000039713_100011217306 [0,1,0,0,0,0|3,0,0]=4 3082 B11R1.24 [O-][n+]1cccc(c1)OCCF 7a_100000039713_100011217306 [0,1,0,0,0,0|3,0,0]=4 3083 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [0,1,0,0,0,0|2,0,0]=3 3084 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [0,1,0,0,0,0|2,0,0]=3 3085 B11R1.24 [O-][n+]1cccc(c1)SCCF 62a_100011217306_100009815978 [0,1,0,0,0,0|3,0,0]=4 3086 B11R1.24 [O-][n+]1cccc(c1)SCCO 62a_100000211926_100009815978 [0,1,0,0,0,0|2,0,0]=3 3087 B11R1.24 [O-][n+]1ccnc(c1)NCCO 27a_100000210304_100009880115 [0,1,0,0,0,0|3,0,0]=4 3088 B11R1.24 [O-][n+]1ccnc(c1)SCCO 62a_100000211926_100009880115 [0,1,0,0,0,0|3,0,0]=4 3089 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|1,0,0]=2 3090 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,0|2,0,0]=3 3091 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,0,0,0,0|2,0,0]=3 3092 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,1,0,0,0,0|3,0,0]=4 3093 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,1,0,0,0,0|3,0,0]=4 3094 B11R1.28 BrCCOCc1cncnc1 34a_100000211926_100015196519 [0,1,0,0,0,0|3,0,0]=4 3095 B11R1.28 BrCCOCc1ncccn1 34a_100000211926_100000703007 [0,1,0,0,0,0|3,0,0]=4 3096 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|1,0,1]=3 3097 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|1,0,1]=3 3098 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|1,0,1]=3 3099 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [0,1,0,0,0,0|2,0,1]=4 3100 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [0,1,0,0,0,0|2,0,1]=4 3101 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [0,1,0,0,0,0|2,0,1]=4 3102 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|1,0,1]=3 3103 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|1,0,1]=3 3104 B11R1.28 C#CCCSc1ccccn1 62a_100000688953_100011216584 [0,1,0,0,0,0|2,0,1]=4 3105 B11R1.28 C#CCCSc1ccccn1 62a_100011216584_100000688953 [0,1,0,0,0,0|2,0,1]=4 3106 B11R1.28 C#CCCSc1cccnc1 62a_100000210063_100000688953 [0,1,0,0,0,0|2,0,1]=4 3107 B11R1.28 C#CCCSc1cccnc1 62a_100000688953_100000210063 [0,1,0,0,0,0|2,0,1]=4 3108 B11R1.28 C#CCCSc1ccncc1 62a_100000688953_100000728582 [0,1,0,0,0,0|2,0,1]=4 3109 B11R1.28 C#CCCSc1ccncc1 62a_100000728582_100000688953 [0,1,0,0,0,0|2,0,1]=4 3110 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|1,0,1]=3 3111 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|1,0,1]=3 3112 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|1,0,1]=3 3113 B11R1.28 C#CCNCc1ccccn1 34a_100000212058_100000721315 [0,1,0,0,0,0|2,0,1]=4 3114 B11R1.28 C#CCNCc1cccnc1 34a_100000212058_100000733263 [0,1,0,0,0,0|2,0,1]=4 3115 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|1,0,1]=3 3116 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|1,0,1]=3 3117 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|1,0,1]=3 3118 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,1,0,0,0,0|2,0,1]=4 3119 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,1,0,0,0,0|2,0,1]=4 3120 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|1,0,1]=3 3121 B11R1.28 C#CCSCc1ccccn1 62a_100000038162_100000721315 [0,1,0,0,0,0|2,0,1]=4 3122 B11R1.28 C#CCSCc1cccnc1 62a_100000038162_100000741622 [0,1,0,0,0,0|2,0,1]=4 3123 B11R1.28 C#CCSCc1ccncc1 62a_100000038162_100015193705 [0,1,0,0,0,0|2,0,1]=4 3124 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|1,0,2]=4 3125 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|1,0,2]=4 3126 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|1,0,2]=4 3127 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|1,0,2]=4 3128 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|1,0,2]=4 3129 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|1,0,1]=3 3130 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|1,0,1]=3 3131 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|1,0,1]=3 3132 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,1,0,0,0,0|2,0,1]=4 3133 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,1,0,0,0,0|2,0,1]=4 3134 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [0,1,0,0,0,0|2,0,1]=4 3135 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|1,0,1]=3 3136 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|1,0,1]=3 3137 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,1,0,0,0,0|2,0,1]=4 3138 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,1,0,0,0,0|2,0,1]=4 3139 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,1,0,0,0,0|2,0,1]=4 3140 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,1,0,0,0,0|2,0,1]=4 3141 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [0,1,0,0,0,0|2,0,1]=4 3142 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [0,1,0,0,0,0|2,0,1]=4 3143 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|1,0,1]=3 3144 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|1,0,1]=3 3145 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|1,0,1]=3 3146 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|1,0,1]=3 3147 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,1,0,0,0,0|2,0,1]=4 3148 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,1,0,0,0,0|2,0,1]=4 3149 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [0,1,0,0,0,0|2,0,1]=4 3150 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [0,1,0,0,0,0|2,0,1]=4 3151 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [0,1,0,0,0,0|2,0,1]=4 3152 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|1,0,1]=3 3153 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|1,0,1]=3 3154 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|1,0,1]=3 3155 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,0|2,0,1]=4 3156 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,1,0,0,0,0|2,0,1]=4 3157 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|1,0,1]=3 3158 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|1,0,1]=3 3159 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,1,0,0,0,0|2,0,1]=4 3160 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,1,0,0,0,0|2,0,1]=4 3161 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,1,0,0,0,0|2,0,1]=4 3162 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,1,0,0,0,0|2,0,1]=4 3163 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [0,1,0,0,0,0|2,0,1]=4 3164 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [0,1,0,0,0,0|2,0,1]=4 3165 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|1,0,2]=4 3166 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|1,0,2]=4 3167 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|1,0,2]=4 3168 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|1,0,2]=4 3169 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|1,0,2]=4 3170 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|1,0,2]=4 3171 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|1,0,2]=4 3172 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|1,0,2]=4 3173 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|1,0,2]=4 3174 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|1,0,2]=4 3175 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|2,0,1]=4 3176 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [0,1,0,0,0,0|2,0,1]=4 3177 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|1,0,1]=3 3178 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [0,1,0,0,0,0|2,0,1]=4 3179 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,1,0,0,0,0|2,0,1]=4 3180 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [0,1,0,0,0,0|2,0,1]=4 3181 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|1,0,0]=2 3182 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,1,0,0,0,0|3,0,0]=4 3183 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [0,1,0,0,0,0|3,0,0]=4 3184 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,1,0,0,0,0|3,0,0]=4 3185 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [0,1,0,0,0,0|3,0,0]=4 3186 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|1,0,0]=2 3187 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|1,0,0]=2 3188 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,0|2,0,0]=3 3189 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,0|2,0,0]=3 3190 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,0|2,0,0]=3 3191 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,1,0,0,0,0|3,0,0]=4 3192 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,1,0,0,0,0|3,0,0]=4 3193 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|1,0,0]=2 3194 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|1,0,0]=2 3195 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,1,0,0,0,0|2,0,0]=3 3196 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,1,0,0,0,0|2,0,0]=3 3197 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,1,0,0,0,0|2,0,0]=3 3198 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,1,0,0,0,0|2,0,0]=3 3199 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,1,0,0,0,0|3,0,0]=4 3200 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,1,0,0,0,0|3,0,0]=4 3201 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,1,0,0,0,0|2,0,0]=3 3202 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,1,0,0,0,0|2,0,0]=3 3203 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [0,1,0,0,0,0|3,0,0]=4 3204 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [0,1,0,0,0,0|3,0,0]=4 3205 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [0,1,0,0,0,0|3,0,0]=4 3206 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [0,1,0,0,0,0|3,0,0]=4 3207 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,1,0,0,0,0|3,0,0]=4 3208 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,1,0,0,0,0|3,0,0]=4 3209 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [0,1,0,0,0,0|3,0,0]=4 3210 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [0,1,0,0,0,0|3,0,0]=4 3211 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [0,1,0,0,0,0|3,0,0]=4 3212 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [0,1,0,0,0,0|3,0,0]=4 3213 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|1,0,0]=2 3214 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|1,0,0]=2 3215 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|1,0,0]=2 3216 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|1,0,0]=2 3217 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,0,0,0,0|2,0,0]=3 3218 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,0,0,0,0|2,0,0]=3 3219 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,0,0,0,0|2,0,0]=3 3220 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,0,0,0,0|2,0,0]=3 3221 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,1,0,0,0,0|3,0,0]=4 3222 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,1,0,0,0,0|2,0,0]=3 3223 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [0,1,0,0,0,0|3,0,0]=4 3224 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,1,0,0,0,0|3,0,0]=4 3225 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [0,1,0,0,0,0|3,0,0]=4 3226 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [0,1,0,0,0,0|3,0,0]=4 3227 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,1,0,0,0,0|3,0,0]=4 3228 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|1,0,0]=2 3229 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|1,0,0]=2 3230 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|1,0,0]=2 3231 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,0|2,0,0]=3 3232 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,0|2,0,0]=3 3233 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,1,0,0,0,0|3,0,0]=4 3234 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,1,0,0,0,0|3,0,0]=4 3235 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,1,0,0,0,0|3,0,0]=4 3236 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [0,1,0,0,0,0|3,0,0]=4 3237 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|1,0,0]=2 3238 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|1,0,0]=2 3239 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,1,0,0,0,0|2,0,0]=3 3240 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,1,0,0,0,0|2,0,0]=3 3241 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,1,0,0,0,0|2,0,0]=3 3242 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,1,0,0,0,0|2,0,0]=3 3243 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,1,0,0,0,0|3,0,0]=4 3244 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,1,0,0,0,0|3,0,0]=4 3245 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,1,0,0,0,0|2,0,0]=3 3246 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,1,0,0,0,0|2,0,0]=3 3247 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,1,0,0,0,0|3,0,0]=4 3248 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,1,0,0,0,0|3,0,0]=4 3249 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [0,1,0,0,0,0|3,0,0]=4 3250 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [0,1,0,0,0,0|3,0,0]=4 3251 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [0,1,0,0,0,0|3,0,0]=4 3252 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [0,1,0,0,0,0|3,0,0]=4 3253 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|1,0,0]=2 3254 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|1,0,0]=2 3255 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|1,0,0]=2 3256 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,0,0,0,0|2,0,0]=3 3257 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,0,0,0,0|2,0,0]=3 3258 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,0,0,0,0|2,0,0]=3 3259 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,1,0,0,0,0|2,0,0]=3 3260 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|2,0,0]=3 3261 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,1,0,0,0,0|2,0,1]=4 3262 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [0,1,0,0,0,0|1,0,2]=4 3263 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|1,0,0]=2 3264 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|1,0,0]=2 3265 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|1,0,0]=2 3266 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,1,0,0,0,0|2,0,0]=3 3267 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,1,0,0,0,0|2,0,0]=3 3268 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,1,0,0,0,0|2,0,0]=3 3269 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,1,0,0,0,0|3,0,0]=4 3270 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,1,0,0,0,0|3,0,0]=4 3271 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|2,0,0]=3 3272 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|2,0,0]=3 3273 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [0,1,0,0,0,0|3,0,0]=4 3274 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [0,1,0,0,0,0|3,0,0]=4 3275 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,1,0,0,0,0|3,0,0]=4 3276 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,1,0,0,0,0|3,0,0]=4 3277 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [0,1,0,0,0,0|3,0,0]=4 3278 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [0,1,0,0,0,0|3,0,0]=4 3279 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|1,0,0]=2 3280 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|1,0,0]=2 3281 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,1,0,0,0,0|2,0,0]=3 3282 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,1,0,0,0,0|2,0,0]=3 3283 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,1,0,0,0,0|2,0,0]=3 3284 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,1,0,0,0,0|2,0,0]=3 3285 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,1,0,0,0,0|2,0,0]=3 3286 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,1,0,0,0,0|2,0,0]=3 3287 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|2,0,0]=3 3288 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|2,0,0]=3 3289 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|1,0,2]=4 3290 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|1,0,2]=4 3291 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|1,0,2]=4 3292 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|1,0,2]=4 3293 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|1,0,2]=4 3294 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,1,0,0,0,0|1,0,2]=4 3295 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,1,0,0,0,0|1,0,2]=4 3296 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,1,0,0,0,0|1,0,2]=4 3297 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,1,0,0,0,0|1,0,2]=4 3298 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|1,0,2]=4 3299 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|1,0,0]=2 3300 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|1,0,0]=2 3301 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|1,0,0]=2 3302 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|1,0,0]=2 3303 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|1,0,0]=2 3304 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,1,0,0,0,0|2,0,0]=3 3305 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,1,0,0,0,0|2,0,0]=3 3306 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,1,0,0,0,0|2,0,0]=3 3307 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|2,0,0]=3 3308 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|2,0,0]=3 3309 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|2,0,0]=3 3310 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|2,0,0]=3 3311 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|2,0,0]=3 3312 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|2,0,0]=3 3313 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,0,0,0,0|3,0,0]=4 3314 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,0,0,0,0|3,0,0]=4 3315 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|2,0,0]=3 3316 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|2,0,0]=3 3317 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|2,0,0]=3 3318 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|2,0,0]=3 3319 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|2,0,0]=3 3320 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|2,0,0]=3 3321 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|2,0,0]=3 3322 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|2,0,0]=3 3323 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|0,0,2]=3 3324 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|0,0,2]=3 3325 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [0,1,0,0,0,0|1,0,2]=4 3326 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,1,0,0,0,0|0,0,2]=3 3327 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,1,0,0,0,0|0,0,2]=3 3328 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,1,0,0,0,0|0,0,2]=3 3329 B11R1.28 COCC#Cc1ccccn1 34a_100011894333_200000210301 [0,1,0,0,0,0|1,0,2]=4 3330 B11R1.28 COCC#Cc1cccnc1 34a_100011376247_200000210301 [0,1,0,0,0,0|1,0,2]=4 3331 B11R1.28 COCC#Cc1ccncc1 34a_100011894393_200000210301 [0,1,0,0,0,0|1,0,2]=4 3332 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|0,0,2]=3 3333 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [0,1,0,0,0,0|1,0,2]=4 3334 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [0,1,0,0,0,0|1,0,2]=4 3335 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [0,1,0,0,0,0|1,0,2]=4 3336 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,1,0,0,0,0|0,0,2]=3 3337 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|0,0,0]=1 3338 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|0,0,0]=1 3339 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|0,0,0]=1 3340 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,0,0,0,0|1,0,0]=2 3341 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,0,0,0,0|1,0,0]=2 3342 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,1,0,0,0,0|1,0,0]=2 3343 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|1,0,0]=2 3344 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|1,0,0]=2 3345 B11R1.28 COCCNc1cccnn1 27a_100000209980_100016991348 [0,1,0,0,0,0|3,0,0]=4 3346 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,1,0,0,0,0|2,0,0]=3 3347 B11R1.28 COCCNc1ccncn1 27a_100000209980_100000703185 [0,1,0,0,0,0|3,0,0]=4 3348 B11R1.28 COCCNc1cnccn1 27a_100000209980_100000211759 [0,1,0,0,0,0|3,0,0]=4 3349 B11R1.28 COCCNc1ncccn1 27a_100000209980_100000211032 [0,1,0,0,0,0|3,0,0]=4 3350 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|1,0,0]=2 3351 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|1,0,0]=2 3352 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|1,0,0]=2 3353 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|1,0,0]=2 3354 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|1,0,0]=2 3355 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,0,0,0,0|2,0,0]=3 3356 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,0,0,0,0|2,0,0]=3 3357 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,1,0,0,0,0|2,0,0]=3 3358 B11R1.28 COCCOc1ccnnc1 34a_100015204005_100011201679 [0,1,0,0,0,0|3,0,0]=4 3359 B11R1.28 COCCOc1cncnc1 7a_100000754086_100000233755 [0,1,0,0,0,0|3,0,0]=4 3360 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|1,0,0]=2 3361 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|1,0,0]=2 3362 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|1,0,0]=2 3363 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|1,0,0]=2 3364 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,1,0,0,0,0|2,0,0]=3 3365 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,1,0,0,0,0|2,0,0]=3 3366 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,1,0,0,0,0|2,0,0]=3 3367 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,1,0,0,0,0|2,0,0]=3 3368 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,1,0,0,0,0|2,0,0]=3 3369 B11R1.28 COCCSc1cccnn1 62a_100000233755_100016991348 [0,1,0,0,0,0|3,0,0]=4 3370 B11R1.28 COCCSc1cccnn1 62a_100016991348_100000233755 [0,1,0,0,0,0|3,0,0]=4 3371 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,1,0,0,0,0|2,0,0]=3 3372 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,1,0,0,0,0|2,0,0]=3 3373 B11R1.28 COCCSc1ccncn1 62a_100000233755_100000703185 [0,1,0,0,0,0|3,0,0]=4 3374 B11R1.28 COCCSc1ccncn1 62a_100000703185_100000233755 [0,1,0,0,0,0|3,0,0]=4 3375 B11R1.28 COCCSc1ccnnc1 62a_100000233755_100000732662 [0,1,0,0,0,0|3,0,0]=4 3376 B11R1.28 COCCSc1ccnnc1 62a_100000732662_100000233755 [0,1,0,0,0,0|3,0,0]=4 3377 B11R1.28 COCCSc1cnccn1 62a_100000211759_100000233755 [0,1,0,0,0,0|3,0,0]=4 3378 B11R1.28 COCCSc1cnccn1 62a_100000233755_100000211759 [0,1,0,0,0,0|3,0,0]=4 3379 B11R1.28 COCCSc1cncnc1 62a_100000233755_100011206942 [0,1,0,0,0,0|3,0,0]=4 3380 B11R1.28 COCCSc1cncnc1 62a_100011206942_100000233755 [0,1,0,0,0,0|3,0,0]=4 3381 B11R1.28 COCCSc1ncccn1 62a_100000211032_100000233755 [0,1,0,0,0,0|3,0,0]=4 3382 B11R1.28 COCCSc1ncccn1 62a_100000233755_100000211032 [0,1,0,0,0,0|3,0,0]=4 3383 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|1,0,0]=2 3384 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [0,1,0,0,0,0|3,0,0]=4 3385 B11R1.28 COCNCc1cncnc1 2230a_100011243677_100000766300 [0,1,0,0,0,0|3,0,0]=4 3386 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|1,0,0]=2 3387 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|1,0,0]=2 3388 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|1,0,0]=2 3389 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|1,0,0]=2 3390 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,0,0,0,0|2,0,0]=3 3391 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,0,0,0,0|2,0,0]=3 3392 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,0,0,0,0|2,0,0]=3 3393 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,0,0,0,0|2,0,0]=3 3394 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [0,1,0,0,0,0|3,0,0]=4 3395 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [0,1,0,0,0,0|3,0,0]=4 3396 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,1,0,0,0,0|2,0,0]=3 3397 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,1,0,0,0,0|2,0,0]=3 3398 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,1,0,0,0,0|3,0,0]=4 3399 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,1,0,0,0,0|3,0,0]=4 3400 B11R1.28 COCSCc1cncnc1 62a_100000766300_100015196519 [0,1,0,0,0,0|3,0,0]=4 3401 B11R1.28 COCSCc1cncnc1 62a_100015196519_100000766300 [0,1,0,0,0,0|3,0,0]=4 3402 B11R1.28 COCSCc1ncccn1 62a_100000703007_100000766300 [0,1,0,0,0,0|3,0,0]=4 3403 B11R1.28 COCSCc1ncccn1 62a_100000766300_100000703007 [0,1,0,0,0,0|3,0,0]=4 3404 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|0,1,2]=4 3405 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|0,1,2]=4 3406 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,1,0,0,0,0|0,1,2]=4 3407 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|0,1,0]=2 3408 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|0,1,0]=2 3409 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|1,1,0]=3 3410 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|1,1,0]=3 3411 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|1,1,0]=3 3412 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|1,1,0]=3 3413 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|1,1,0]=3 3414 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,0,0,0,0|2,1,0]=4 3415 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,0,0,0,0|2,1,0]=4 3416 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,1,0,0,0,0|2,1,0]=4 3417 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|1,1,0]=3 3418 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|1,1,0]=3 3419 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|1,1,0]=3 3420 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|1,1,0]=3 3421 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,1,0,0,0,0|2,1,0]=4 3422 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,1,0,0,0,0|2,1,0]=4 3423 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,1,0,0,0,0|2,1,0]=4 3424 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,1,0,0,0,0|2,1,0]=4 3425 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,1,0,0,0,0|2,1,0]=4 3426 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,1,0,0,0,0|2,1,0]=4 3427 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|1,1,0]=3 3428 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|1,1,0]=3 3429 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|1,1,0]=3 3430 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|1,1,0]=3 3431 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|1,1,0]=3 3432 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|1,1,0]=3 3433 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|1,1,0]=3 3434 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|1,1,0]=3 3435 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|1,1,0]=3 3436 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,1,0,0,0,0|2,1,0]=4 3437 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,1,0,0,0,0|2,1,0]=4 3438 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,1,0,0,0,0|2,1,0]=4 3439 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,1,0,0,0,0|2,1,0]=4 3440 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,1,0,0,0,0|2,1,0]=4 3441 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,1,0,0,0,0|2,1,0]=4 3442 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|1,0,0]=2 3443 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [0,1,0,0,0,0|3,0,0]=4 3444 B11R1.28 FCCCNc1ccncn1 27a_100015189416_100000703185 [0,1,0,0,0,0|3,0,0]=4 3445 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,1,0,0,0,0|3,0,0]=4 3446 B11R1.28 FCCCNc1ncccn1 27a_100015189416_100000211032 [0,1,0,0,0,0|3,0,0]=4 3447 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|1,0,0]=2 3448 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|1,0,0]=2 3449 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,1,0,0,0,0|2,0,0]=3 3450 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,1,0,0,0,0|2,0,0]=3 3451 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,1,0,0,0,0|2,0,0]=3 3452 B11R1.28 FCCCOc1ccnnc1 34a_100015204005_100011934791 [0,1,0,0,0,0|3,0,0]=4 3453 B11R1.28 FCCCOc1cncnc1 7a_100000754086_100011934791 [0,1,0,0,0,0|3,0,0]=4 3454 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|1,0,0]=2 3455 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|1,0,0]=2 3456 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,1,0,0,0,0|2,0,0]=3 3457 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,1,0,0,0,0|2,0,0]=3 3458 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,1,0,0,0,0|2,0,0]=3 3459 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,1,0,0,0,0|2,0,0]=3 3460 B11R1.28 FCCCSc1cccnn1 62a_100011934791_100016991348 [0,1,0,0,0,0|3,0,0]=4 3461 B11R1.28 FCCCSc1cccnn1 62a_100016991348_100011934791 [0,1,0,0,0,0|3,0,0]=4 3462 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [0,1,0,0,0,0|2,0,0]=3 3463 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [0,1,0,0,0,0|2,0,0]=3 3464 B11R1.28 FCCCSc1ccncn1 62a_100000703185_100011934791 [0,1,0,0,0,0|3,0,0]=4 3465 B11R1.28 FCCCSc1ccncn1 62a_100011934791_100000703185 [0,1,0,0,0,0|3,0,0]=4 3466 B11R1.28 FCCCSc1ccnnc1 62a_100000732662_100011934791 [0,1,0,0,0,0|3,0,0]=4 3467 B11R1.28 FCCCSc1ccnnc1 62a_100011934791_100000732662 [0,1,0,0,0,0|3,0,0]=4 3468 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,1,0,0,0,0|3,0,0]=4 3469 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,1,0,0,0,0|3,0,0]=4 3470 B11R1.28 FCCCSc1cncnc1 62a_100011206942_100011934791 [0,1,0,0,0,0|3,0,0]=4 3471 B11R1.28 FCCCSc1cncnc1 62a_100011934791_100011206942 [0,1,0,0,0,0|3,0,0]=4 3472 B11R1.28 FCCCSc1ncccn1 62a_100000211032_100011934791 [0,1,0,0,0,0|3,0,0]=4 3473 B11R1.28 FCCCSc1ncccn1 62a_100011934791_100000211032 [0,1,0,0,0,0|3,0,0]=4 3474 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|1,0,0]=2 3475 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|1,0,0]=2 3476 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|1,0,0]=2 3477 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,0,0,0,0|2,0,0]=3 3478 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,1,0,0,0,0|2,0,0]=3 3479 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,1,0,0,0,0|3,0,0]=4 3480 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,1,0,0,0,0|3,0,0]=4 3481 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,1,0,0,0,0|3,0,0]=4 3482 B11R1.28 FCCNCc1cncnc1 2230a_100011243677_100011217306 [0,1,0,0,0,0|3,0,0]=4 3483 B11R1.28 FCCNCc1cncnc1 34a_100000724931_100015196519 [0,1,0,0,0,0|3,0,0]=4 3484 B11R1.28 FCCNCc1ncccn1 34a_100000724931_100000703007 [0,1,0,0,0,0|3,0,0]=4 3485 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|1,0,0]=2 3486 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|1,0,0]=2 3487 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|1,0,0]=2 3488 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|1,0,0]=2 3489 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,1,0,0,0,0|2,0,0]=3 3490 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,1,0,0,0,0|2,0,0]=3 3491 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,1,0,0,0,0|2,0,0]=3 3492 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,1,0,0,0,0|2,0,0]=3 3493 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,1,0,0,0,0|3,0,0]=4 3494 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,1,0,0,0,0|3,0,0]=4 3495 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,1,0,0,0,0|2,0,0]=3 3496 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,1,0,0,0,0|2,0,0]=3 3497 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,1,0,0,0,0|3,0,0]=4 3498 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,1,0,0,0,0|3,0,0]=4 3499 B11R1.28 FCCSCc1cncnc1 62a_100011217306_100015196519 [0,1,0,0,0,0|3,0,0]=4 3500 B11R1.28 FCCSCc1cncnc1 62a_100015196519_100011217306 [0,1,0,0,0,0|3,0,0]=4 3501 B11R1.28 FCCSCc1ncccn1 62a_100000703007_100011217306 [0,1,0,0,0,0|3,0,0]=4 3502 B11R1.28 FCCSCc1ncccn1 62a_100011217306_100000703007 [0,1,0,0,0,0|3,0,0]=4 3503 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|1,0,0]=2 3504 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|1,0,0]=2 3505 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|1,0,0]=2 3506 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,1,0,0,0,0|2,0,0]=3 3507 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,1,0,0,0,0|2,0,0]=3 3508 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,1,0,0,0,0|2,0,0]=3 3509 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,1,0,0,0,0|3,0,0]=4 3510 B11R1.28 FCOCCc1cncnc1 34a_100011709255_100015361967 [0,1,0,0,0,0|3,0,0]=4 3511 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|1,0,0]=2 3512 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|1,0,0]=2 3513 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,1,0,0,0,0|2,0,0]=3 3514 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,1,0,0,0,0|2,0,0]=3 3515 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,1,0,0,0,0|2,0,0]=3 3516 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,1,0,0,0,0|2,0,0]=3 3517 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,1,0,0,0,0|2,0,0]=3 3518 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,1,0,0,0,0|2,0,0]=3 3519 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|2,0,0]=3 3520 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|2,0,0]=3 3521 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|1,0,1]=3 3522 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [0,1,0,0,0,0|2,0,1]=4 3523 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|1,0,1]=3 3524 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|1,0,1]=3 3525 B11R1.28 N#CCCSc1ccccn1 62a_100011215226_100011216584 [0,1,0,0,0,0|2,0,1]=4 3526 B11R1.28 N#CCCSc1ccccn1 62a_100011216584_100011215226 [0,1,0,0,0,0|2,0,1]=4 3527 B11R1.28 N#CCCSc1cccnc1 62a_100000210063_100011215226 [0,1,0,0,0,0|2,0,1]=4 3528 B11R1.28 N#CCCSc1cccnc1 62a_100011215226_100000210063 [0,1,0,0,0,0|2,0,1]=4 3529 B11R1.28 N#CCCSc1ccncc1 62a_100000728582_100011215226 [0,1,0,0,0,0|2,0,1]=4 3530 B11R1.28 N#CCCSc1ccncc1 62a_100011215226_100000728582 [0,1,0,0,0,0|2,0,1]=4 3531 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|1,0,1]=3 3532 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|1,0,1]=3 3533 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|1,0,1]=3 3534 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|1,0,1]=3 3535 B11R1.28 N#CCSCc1ccccn1 62a_100000721315_100011215382 [0,1,0,0,0,0|2,0,1]=4 3536 B11R1.28 N#CCSCc1ccccn1 62a_100011215382_100000721315 [0,1,0,0,0,0|2,0,1]=4 3537 B11R1.28 N#CCSCc1cccnc1 62a_100000741622_100011215382 [0,1,0,0,0,0|2,0,1]=4 3538 B11R1.28 N#CCSCc1cccnc1 62a_100011215382_100000741622 [0,1,0,0,0,0|2,0,1]=4 3539 B11R1.28 N#CCSCc1ccncc1 62a_100011215382_100015193705 [0,1,0,0,0,0|2,0,1]=4 3540 B11R1.28 N#CCSCc1ccncc1 62a_100015193705_100011215382 [0,1,0,0,0,0|2,0,1]=4 3541 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,1,0,0,0,0|2,0,1]=4 3542 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,1,0,0,0,0|2,0,1]=4 3543 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|1,0,0]=2 3544 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,0|2,0,0]=3 3545 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,0,0,0,0|2,0,0]=3 3546 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,1,0,0,0,0|3,0,0]=4 3547 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,1,0,0,0,0|3,0,0]=4 3548 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [0,1,0,0,0,0|3,0,0]=4 3549 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,1,0,0,0,0|3,0,0]=4 3550 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|0,0,2]=3 3551 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|0,0,2]=3 3552 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|0,0,2]=3 3553 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|0,0,2]=3 3554 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|0,0,2]=3 3555 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|0,0,2]=3 3556 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,0|1,0,2]=4 3557 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,0|1,0,2]=4 3558 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,1,0,0,0,0|1,0,2]=4 3559 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,1,0,0,0,0|1,0,2]=4 3560 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,1,0,0,0,0|1,0,2]=4 3561 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,1,0,0,0,0|1,0,2]=4 3562 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|0,0,0]=1 3563 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,1,0,0,0,0|2,0,0]=3 3564 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [0,1,0,0,0,0|2,0,0]=3 3565 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,1,0,0,0,0|2,0,0]=3 3566 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [0,1,0,0,0,0|2,0,0]=3 3567 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|0,0,0]=1 3568 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|0,0,0]=1 3569 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,0,0,0,0|1,0,0]=2 3570 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,0,0,0,0|1,0,0]=2 3571 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,1,0,0,0,0|1,0,0]=2 3572 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [0,1,0,0,0,0|2,0,0]=3 3573 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [0,1,0,0,0,0|2,0,0]=3 3574 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|0,0,0]=1 3575 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|0,0,0]=1 3576 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,1,0,0,0,0|1,0,0]=2 3577 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,1,0,0,0,0|1,0,0]=2 3578 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,1,0,0,0,0|1,0,0]=2 3579 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,1,0,0,0,0|1,0,0]=2 3580 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,1,0,0,0,0|2,0,0]=3 3581 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,1,0,0,0,0|2,0,0]=3 3582 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,1,0,0,0,0|1,0,0]=2 3583 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,1,0,0,0,0|1,0,0]=2 3584 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [0,1,0,0,0,0|2,0,0]=3 3585 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [0,1,0,0,0,0|2,0,0]=3 3586 B11R1.28 OCCCSc1ccnnc1 62a_100000732662_100011215043 [0,1,0,0,0,0|2,0,0]=3 3587 B11R1.28 OCCCSc1ccnnc1 62a_100011215043_100000732662 [0,1,0,0,0,0|2,0,0]=3 3588 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,1,0,0,0,0|2,0,0]=3 3589 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,1,0,0,0,0|2,0,0]=3 3590 B11R1.28 OCCCSc1cncnc1 62a_100011206942_100011215043 [0,1,0,0,0,0|2,0,0]=3 3591 B11R1.28 OCCCSc1cncnc1 62a_100011215043_100011206942 [0,1,0,0,0,0|2,0,0]=3 3592 B11R1.28 OCCCSc1cnnnc1 62a_100009846058_100011215043 [0,1,0,0,0,0|3,0,0]=4 3593 B11R1.28 OCCCSc1cnnnc1 62a_100011215043_100009846058 [0,1,0,0,0,0|3,0,0]=4 3594 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [0,1,0,0,0,0|2,0,0]=3 3595 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [0,1,0,0,0,0|2,0,0]=3 3596 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|0,0,0]=1 3597 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|0,0,0]=1 3598 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|0,0,0]=1 3599 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|0,0,0]=1 3600 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|0,0,0]=1 3601 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|0,0,0]=1 3602 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,0|1,0,0]=2 3603 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,0|1,0,0]=2 3604 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,0|1,0,0]=2 3605 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,0|1,0,0]=2 3606 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,0,0,0,0|1,0,0]=2 3607 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,0,0,0,0|1,0,0]=2 3608 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,0,0,0,0|1,0,0]=2 3609 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,0,0,0,0|1,0,0]=2 3610 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,1,0,0,0,0|2,0,0]=3 3611 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,1,0,0,0,0|2,0,0]=3 3612 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,1,0,0,0,0|2,0,0]=3 3613 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,1,0,0,0,0|1,0,0]=2 3614 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,1,0,0,0,0|1,0,0]=2 3615 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [0,1,0,0,0,0|2,0,0]=3 3616 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,1,0,0,0,0|2,0,0]=3 3617 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,1,0,0,0,0|2,0,0]=3 3618 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,1,0,0,0,0|2,0,0]=3 3619 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [0,1,0,0,0,0|2,0,0]=3 3620 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [0,1,0,0,0,0|2,0,0]=3 3621 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [0,1,0,0,0,0|2,0,0]=3 3622 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [0,1,0,0,0,0|2,0,0]=3 3623 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [0,1,0,0,0,0|2,0,0]=3 3624 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [0,1,0,0,0,0|2,0,0]=3 3625 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [0,1,0,0,0,0|2,0,0]=3 3626 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|0,0,0]=1 3627 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|0,0,0]=1 3628 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|0,0,0]=1 3629 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|0,0,0]=1 3630 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,0,0,0,0|1,0,0]=2 3631 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,0,0,0,0|1,0,0]=2 3632 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,1,0,0,0,0|1,0,0]=2 3633 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,1,0,0,0,0|1,0,0]=2 3634 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,1,0,0,0,0|2,0,0]=3 3635 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,1,0,0,0,0|2,0,0]=3 3636 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,1,0,0,0,0|1,0,0]=2 3637 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,1,0,0,0,0|1,0,0]=2 3638 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,1,0,0,0,0|2,0,0]=3 3639 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,1,0,0,0,0|2,0,0]=3 3640 B11R1.28 OCCSCc1cncnc1 62a_100000211926_100015196519 [0,1,0,0,0,0|2,0,0]=3 3641 B11R1.28 OCCSCc1cncnc1 62a_100015196519_100000211926 [0,1,0,0,0,0|2,0,0]=3 3642 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [0,1,0,0,0,0|2,0,0]=3 3643 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [0,1,0,0,0,0|2,0,0]=3 3644 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|1,0,2]=4 3645 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|1,0,2]=4 3646 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,1,0,0,0,0|1,0,2]=4 3647 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|1,0,0]=2 3648 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|1,0,0]=2 3649 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,1,0,0,0,0|2,0,0]=3 3650 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,1,0,0,0,0|2,0,0]=3 3651 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,1,0,0,0,0|2,0,0]=3 3652 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|2,0,0]=3 3653 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|2,0,0]=3 3654 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,0,0,0,0|3,0,0]=4 3655 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,0,0,0,0|3,0,0]=4 3656 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|2,0,0]=3 3657 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|0,0,2]=3 3658 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [0,1,0,0,0,0|1,0,2]=4 3659 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,1,0,0,0,0|0,0,2]=3 3660 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,1,0,0,0,0|0,0,2]=3 3661 B11R1.28 [13CH3]OCC#Cc1ccccn1 34a_100011894333_200025704644 [0,1,0,0,0,0|1,0,2]=4 3662 B11R1.28 [13CH3]OCC#Cc1cccnc1 34a_100011376247_200025704644 [0,1,0,0,0,0|1,0,2]=4 3663 B11R1.28 [13CH3]OCC#Cc1ccncc1 34a_100011894393_200025704644 [0,1,0,0,0,0|1,0,2]=4 3664 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,1,0,0,0,0|0,0,2]=3 3665 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|0,0,0]=1 3666 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|0,0,0]=1 3667 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,0,0,0,0|1,0,0]=2 3668 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,0,0,0,0|1,0,0]=2 3669 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,1,0,0,0,0|1,0,0]=2 3670 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|1,0,0]=2 3671 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,1,0,0,0,0|2,0,0]=3 3672 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|1,0,0]=2 3673 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|1,0,0]=2 3674 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|1,0,0]=2 3675 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,1,0,0,0,0|2,0,0]=3 3676 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|0,1,2]=4 3677 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|0,1,2]=4 3678 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,1,0,0,0,0|0,1,2]=4 3679 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|0,1,0]=2 3680 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|0,1,0]=2 3681 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|1,1,0]=3 3682 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|1,1,0]=3 3683 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|1,1,0]=3 3684 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|1,1,0]=3 3685 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|1,1,0]=3 3686 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|1,1,0]=3 3687 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|1,1,0]=3 3688 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|1,1,0]=3 3689 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|1,0,2]=4 3690 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,0|2,0,1]=4 3691 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,0|2,0,1]=4 3692 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,0|2,0,1]=4 3693 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|1,0,2]=4 3694 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|2,0,1]=4 3695 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,0|2,0,1]=4 3696 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,0|2,0,1]=4 3697 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,0|2,0,1]=4 3698 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|1,0,0]=2 3699 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|1,0,0]=2 3700 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|1,0,0]=2 3701 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,1,0,0,0,0|2,0,0]=3 3702 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,1,0,0,0,0|2,0,0]=3 3703 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,1,0,0,0,0|2,0,0]=3 3704 B11R1.40 CC(CO)Oc1ccnnc1 34a_100015204005_100012180447 [0,1,0,0,0,0|3,0,0]=4 3705 B11R1.40 CC(CO)Oc1cncnc1 7a_100000754086_100012180447 [0,1,0,0,0,0|3,0,0]=4 3706 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|1,0,0]=2 3707 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,1,0,0,0,0|2,0,0]=3 3708 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,1,0,0,0,0|2,0,0]=3 3709 B11R1.40 CC(CO)Sc1cccnn1 62a_100012180447_100016991348 [0,1,0,0,0,0|3,0,0]=4 3710 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [0,1,0,0,0,0|2,0,0]=3 3711 B11R1.40 CC(CO)Sc1ccncn1 62a_100012180447_100000703185 [0,1,0,0,0,0|3,0,0]=4 3712 B11R1.40 CC(CO)Sc1ccnnc1 62a_100012180447_100000732662 [0,1,0,0,0,0|3,0,0]=4 3713 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,1,0,0,0,0|3,0,0]=4 3714 B11R1.40 CC(CO)Sc1cncnc1 62a_100012180447_100011206942 [0,1,0,0,0,0|3,0,0]=4 3715 B11R1.40 CC(CO)Sc1ncccn1 62a_100012180447_100000211032 [0,1,0,0,0,0|3,0,0]=4 3716 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|2,0,0]=3 3717 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|2,0,0]=3 3718 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|2,0,0]=3 3719 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|2,0,0]=3 3720 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,0,0,0,0|3,0,0]=4 3721 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,1,0,0,0,0|3,0,0]=4 3722 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,0|2,0,1]=4 3723 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|1,0,1]=3 3724 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,0|2,0,1]=4 3725 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,0|2,0,1]=4 3726 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,0|2,0,1]=4 3727 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,0|2,0,1]=4 3728 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,0|2,0,1]=4 3729 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3730 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3731 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3732 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,0|2,0,1]=4 3733 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|2,0,0]=3 3734 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|2,0,0]=3 3735 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|2,0,0]=3 3736 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,1,0,0,0,0|3,0,0]=4 3737 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,1,0,0,0,0|3,0,0]=4 3738 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,1,0,0,0,0|3,0,0]=4 3739 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|2,0,0]=3 3740 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|2,0,0]=3 3741 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,1,0,0,0,0|3,0,0]=4 3742 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,1,0,0,0,0|3,0,0]=4 3743 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,1,0,0,0,0|3,0,0]=4 3744 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,1,0,0,0,0|3,0,0]=4 3745 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,1,0,0,0,0|3,0,0]=4 3746 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,1,0,0,0,0|3,0,0]=4 3747 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|2,0,0]=3 3748 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|2,0,0]=3 3749 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|2,0,0]=3 3750 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|2,0,0]=3 3751 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|2,0,0]=3 3752 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|2,0,0]=3 3753 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,1,0,0,0,0|3,0,0]=4 3754 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,1,0,0,0,0|3,0,0]=4 3755 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,1,0,0,0,0|3,0,0]=4 3756 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,1,0,0,0,0|3,0,0]=4 3757 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,1,0,0,0,0|3,0,0]=4 3758 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,1,0,0,0,0|3,0,0]=4 3759 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,1,0,0,0,0|3,0,0]=4 3760 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,1,0,0,0,0|3,0,0]=4 3761 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,1,0,0,0,0|3,0,0]=4 3762 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,1,0,0,0,0|3,0,0]=4 3763 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,1,0,0,0,0|3,0,0]=4 3764 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,1,0,0,0,0|3,0,0]=4 3765 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,1,0,0,0,0|3,0,0]=4 3766 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,1,0,0,0,0|3,0,0]=4 3767 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,1,0,0,0,0|3,0,0]=4 3768 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,1,0,0,0,0|3,0,0]=4 3769 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,1,0,0,0,0|3,0,0]=4 3770 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,1,0,0,0,0|3,0,0]=4 3771 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|2,0,0]=3 3772 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|2,0,0]=3 3773 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,1,0,0,0,0|3,0,0]=4 3774 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,1,0,0,0,0|3,0,0]=4 3775 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,1,0,0,0,0|3,0,0]=4 3776 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,1,0,0,0,0|3,0,0]=4 3777 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,1,0,0,0,0|3,0,0]=4 3778 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,1,0,0,0,0|3,0,0]=4 3779 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|2,0,0]=3 3780 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,1,0,0,0,0|3,0,0]=4 3781 B11R1.40 CN(CF)Cc1cccnc1 269982a_100000184577_100015361967 [0,1,0,0,0,0|3,0,0]=4 3782 B11R1.40 CN(CF)Cc1ccncc1 269982a_100000187231_100015361967 [0,1,0,0,0,0|3,0,0]=4 3783 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,1,0,0,0,0|3,0,0]=4 3784 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|2,0,0]=3 3785 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|2,0,0]=3 3786 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,0,0,0,0|3,0,0]=4 3787 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,1,0,0,0,0|3,0,0]=4 3788 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,1,0,0,0,0|3,0,0]=4 3789 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,1,0,0,0,0|3,0,0]=4 3790 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|2,0,0]=3 3791 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|2,0,0]=3 3792 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|2,0,0]=3 3793 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|3,0,0]=4 3794 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|3,0,0]=4 3795 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|2,0,0]=3 3796 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|2,0,0]=3 3797 B11R1.40 C[C@H](CO)Nc1cccnn1 27a_100000737577_100016991348 [0,1,0,0,0,0|3,0,0]=4 3798 B11R1.40 C[C@H](CO)Nc1ccncn1 27a_100000737577_100000703185 [0,1,0,0,0,0|3,0,0]=4 3799 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,1,0,0,0,0|3,0,0]=4 3800 B11R1.40 C[C@H](CO)Nc1ncccn1 27a_100000737577_100000211032 [0,1,0,0,0,0|3,0,0]=4 3801 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|1,0,0]=2 3802 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|1,0,0]=2 3803 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,1,0,0,0,0|2,0,0]=3 3804 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,1,0,0,0,0|2,0,0]=3 3805 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,1,0,0,0,0|2,0,0]=3 3806 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,1,0,0,0,0|2,0,0]=3 3807 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016084084_100016991348 [0,1,0,0,0,0|3,0,0]=4 3808 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016991348_100016084084 [0,1,0,0,0,0|3,0,0]=4 3809 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [0,1,0,0,0,0|2,0,0]=3 3810 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [0,1,0,0,0,0|2,0,0]=3 3811 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100000703185_100016084084 [0,1,0,0,0,0|3,0,0]=4 3812 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100016084084_100000703185 [0,1,0,0,0,0|3,0,0]=4 3813 B11R1.40 C[C@H](CO)Sc1ccnnc1 62a_100000732662_100016084084 [0,1,0,0,0,0|3,0,0]=4 3814 B11R1.40 C[C@H](CO)Sc1ccnnc1 62a_100016084084_100000732662 [0,1,0,0,0,0|3,0,0]=4 3815 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,1,0,0,0,0|3,0,0]=4 3816 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,1,0,0,0,0|3,0,0]=4 3817 B11R1.40 C[C@H](CO)Sc1cncnc1 62a_100011206942_100016084084 [0,1,0,0,0,0|3,0,0]=4 3818 B11R1.40 C[C@H](CO)Sc1cncnc1 62a_100016084084_100011206942 [0,1,0,0,0,0|3,0,0]=4 3819 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100000211032_100016084084 [0,1,0,0,0,0|3,0,0]=4 3820 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100016084084_100000211032 [0,1,0,0,0,0|3,0,0]=4 3821 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,1,0,0,0,0|2,0,1]=4 3822 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,1,0,0,0,0|2,0,1]=4 3823 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,0|2,0,1]=4 3824 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,0|2,0,1]=4 3825 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,0|2,0,1]=4 3826 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|0,0,1]=2 3827 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,0|1,0,1]=3 3828 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,0|1,0,1]=3 3829 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,0|2,0,1]=4 3830 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,0|1,0,1]=3 3831 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,0|2,0,1]=4 3832 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,0|2,0,1]=4 3833 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,0|2,0,1]=4 3834 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,0|1,0,1]=3 3835 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,0|1,0,1]=3 3836 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|2,0,1]=4 3837 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|2,0,1]=4 3838 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|2,0,1]=4 3839 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|2,0,1]=4 3840 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|2,0,1]=4 3841 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,1,0,0,0,0|2,0,1]=4 3842 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,1,0,0,0,0|2,0,1]=4 3843 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,1,0,0,0,0|2,0,1]=4 3844 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,1,0,0,0,0|2,0,1]=4 3845 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,1,0,0,0,0|2,0,1]=4 3846 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|0,0,2]=3 3847 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|0,0,2]=3 3848 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,0|1,0,2]=4 3849 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,0|1,0,2]=4 3850 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,0|1,0,2]=4 3851 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,0|1,0,2]=4 3852 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,0|1,0,2]=4 3853 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,0|1,0,2]=4 3854 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|1,0,2]=4 3855 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|1,0,2]=4 3856 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|1,0,2]=4 3857 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|1,0,2]=4 3858 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|1,0,2]=4 3859 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|1,0,2]=4 3860 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,1,0,0,0,0|1,0,2]=4 3861 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,1,0,0,0,0|2,0,0]=3 3862 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,1,0,0,0,0|2,0,0]=3 3863 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,1,0,0,0,0|2,0,0]=3 3864 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,1,0,0,0,0|3,0,0]=4 3865 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,1,0,0,0,0|3,0,0]=4 3866 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,1,0,0,0,0|3,0,0]=4 3867 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,1,0,0,0,0|2,0,0]=3 3868 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,1,0,0,0,0|2,0,0]=3 3869 B11R1.91 CC(C)CSc1ccccn1 62a_100000210624_100011216584 [0,1,0,0,0,0|3,0,0]=4 3870 B11R1.91 CC(C)CSc1ccccn1 62a_100011216584_100000210760 [0,1,0,0,0,0|3,0,0]=4 3871 B11R1.91 CC(C)CSc1cccnc1 62a_100000210063_100000210760 [0,1,0,0,0,0|3,0,0]=4 3872 B11R1.91 CC(C)CSc1cccnc1 62a_100000210624_100000210063 [0,1,0,0,0,0|3,0,0]=4 3873 B11R1.91 CC(C)CSc1ccncc1 62a_100000210624_100000728582 [0,1,0,0,0,0|3,0,0]=4 3874 B11R1.91 CC(C)CSc1ccncc1 62a_100000728582_100000210760 [0,1,0,0,0,0|3,0,0]=4 3875 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,0|2,0,0]=3 3876 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,0|2,0,0]=3 3877 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,0|2,0,0]=3 3878 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,0|2,0,0]=3 3879 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,0|2,0,0]=3 3880 B11R1.91 CC(C)NCc1ccccn1 207a_100138425928_100000209966 [0,1,0,0,0,0|3,0,0]=4 3881 B11R1.91 CC(C)NCc1ccccn1 2230a_100138425928_100000721315 [0,1,0,0,0,0|3,0,0]=4 3882 B11R1.91 CC(C)NCc1ccccn1 34a_100138425928_100000721315 [0,1,0,0,0,0|3,0,0]=4 3883 B11R1.91 CC(C)NCc1cccnc1 207a_100138425928_100000209961 [0,1,0,0,0,0|3,0,0]=4 3884 B11R1.91 CC(C)NCc1cccnc1 2230a_100138425928_100000741622 [0,1,0,0,0,0|3,0,0]=4 3885 B11R1.91 CC(C)NCc1cccnc1 34a_100138425928_100000733263 [0,1,0,0,0,0|3,0,0]=4 3886 B11R1.91 CC(C)NCc1ccncc1 207a_100138425928_100000186114 [0,1,0,0,0,0|3,0,0]=4 3887 B11R1.91 CC(C)NCc1ccncc1 2230a_100138425928_100015193705 [0,1,0,0,0,0|3,0,0]=4 3888 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,0|2,0,0]=3 3889 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,0|2,0,0]=3 3890 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,0|2,0,0]=3 3891 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,1,0,0,0,0|3,0,0]=4 3892 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,1,0,0,0,0|3,0,0]=4 3893 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,0|2,0,0]=3 3894 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,0|2,0,0]=3 3895 B11R1.91 CC(C)SCc1ccccn1 62a_100000210206_100000721315 [0,1,0,0,0,0|3,0,0]=4 3896 B11R1.91 CC(C)SCc1ccccn1 62a_100000721315_100000210206 [0,1,0,0,0,0|3,0,0]=4 3897 B11R1.91 CC(C)SCc1cccnc1 62a_100000210206_100000741622 [0,1,0,0,0,0|3,0,0]=4 3898 B11R1.91 CC(C)SCc1cccnc1 62a_100000741622_100000210206 [0,1,0,0,0,0|3,0,0]=4 3899 B11R1.91 CC(C)SCc1ccncc1 62a_100000210206_100015193705 [0,1,0,0,0,0|3,0,0]=4 3900 B11R1.91 CC(C)SCc1ccncc1 62a_100015193705_100000210206 [0,1,0,0,0,0|3,0,0]=4 3901 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,1,0,0,0,0|0,0,2]=3 3902 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,1,0,0,0,0|1,0,2]=4 3903 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,1,0,0,0,0|1,0,2]=4 3904 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [0,1,0,0,0,0|1,0,2]=4 3905 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,0|1,0,0]=2 3906 B11R1.91 CC(O)CNc1cccnn1 27a_100000210904_100016991348 [0,1,0,0,0,0|3,0,0]=4 3907 B11R1.91 CC(O)CNc1ccncn1 27a_100000210904_100000703185 [0,1,0,0,0,0|3,0,0]=4 3908 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,1,0,0,0,0|3,0,0]=4 3909 B11R1.91 CC(O)CNc1ncccn1 27a_100000210904_100000211032 [0,1,0,0,0,0|3,0,0]=4 3910 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,0|1,0,0]=2 3911 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,0|1,0,0]=2 3912 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,1,0,0,0,0|2,0,0]=3 3913 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,1,0,0,0,0|2,0,0]=3 3914 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,1,0,0,0,0|2,0,0]=3 3915 B11R1.91 CC(O)COc1ccnnc1 34a_100015204005_100011218427 [0,1,0,0,0,0|3,0,0]=4 3916 B11R1.91 CC(O)COc1cncnc1 7a_100000754086_100011218427 [0,1,0,0,0,0|3,0,0]=4 3917 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,0|1,0,0]=2 3918 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,0|1,0,0]=2 3919 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,1,0,0,0,0|2,0,0]=3 3920 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,1,0,0,0,0|2,0,0]=3 3921 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,1,0,0,0,0|2,0,0]=3 3922 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,1,0,0,0,0|2,0,0]=3 3923 B11R1.91 CC(O)CSc1cccnn1 62a_100011218427_100016991348 [0,1,0,0,0,0|3,0,0]=4 3924 B11R1.91 CC(O)CSc1cccnn1 62a_100016991348_100011218427 [0,1,0,0,0,0|3,0,0]=4 3925 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [0,1,0,0,0,0|2,0,0]=3 3926 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [0,1,0,0,0,0|2,0,0]=3 3927 B11R1.91 CC(O)CSc1ccncn1 62a_100000703185_100011218427 [0,1,0,0,0,0|3,0,0]=4 3928 B11R1.91 CC(O)CSc1ccncn1 62a_100011218427_100000703185 [0,1,0,0,0,0|3,0,0]=4 3929 B11R1.91 CC(O)CSc1ccnnc1 62a_100000732662_100011218427 [0,1,0,0,0,0|3,0,0]=4 3930 B11R1.91 CC(O)CSc1ccnnc1 62a_100011218427_100000732662 [0,1,0,0,0,0|3,0,0]=4 3931 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,1,0,0,0,0|3,0,0]=4 3932 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,1,0,0,0,0|3,0,0]=4 3933 B11R1.91 CC(O)CSc1cncnc1 62a_100011206942_100011218427 [0,1,0,0,0,0|3,0,0]=4 3934 B11R1.91 CC(O)CSc1cncnc1 62a_100011218427_100011206942 [0,1,0,0,0,0|3,0,0]=4 3935 B11R1.91 CC(O)CSc1ncccn1 62a_100000211032_100011218427 [0,1,0,0,0,0|3,0,0]=4 3936 B11R1.91 CC(O)CSc1ncccn1 62a_100011218427_100000211032 [0,1,0,0,0,0|3,0,0]=4 3937 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|2,0,0]=3 3938 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|2,0,0]=3 3939 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|2,0,0]=3 3940 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|2,0,0]=3 3941 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,1,0,0,0,0|3,0,0]=4 3942 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,1,0,0,0,0|3,0,0]=4 3943 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,1,0,0,0,0|3,0,0]=4 3944 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,1,0,0,0,0|3,0,0]=4 3945 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,1,0,0,0,0|3,0,0]=4 3946 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,1,0,0,0,0|3,0,0]=4 3947 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,1,0,0,0,0|3,0,0]=4 3948 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,1,0,0,0,0|3,0,0]=4 3949 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,1,0,0,0,0|3,0,0]=4 3950 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,1,0,0,0,0|3,0,0]=4 3951 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,1,0,0,0,0|3,0,0]=4 3952 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,1,0,0,0,0|3,0,0]=4 3953 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,1,0,0,0,0|3,0,0]=4 3954 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,1,0,0,0,0|3,0,0]=4 3955 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|2,0,0]=3 3956 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|2,0,0]=3 3957 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,1,0,0,0,0|3,0,0]=4 3958 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,1,0,0,0,0|3,0,0]=4 3959 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,1,0,0,0,0|3,0,0]=4 3960 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,1,0,0,0,0|3,0,0]=4 3961 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,1,0,0,0,0|3,0,0]=4 3962 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,1,0,0,0,0|3,0,0]=4 3963 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,0|1,0,0]=2 3964 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,0|1,0,0]=2 3965 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,0|1,0,0]=2 3966 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,1,0,0,0,0|2,0,0]=3 3967 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,1,0,0,0,0|2,0,0]=3 3968 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,1,0,0,0,0|2,0,0]=3 3969 B11R1.91 C[C@@H](O)COc1ccnnc1 34a_100015204005_100009817552 [0,1,0,0,0,0|3,0,0]=4 3970 B11R1.91 C[C@@H](O)COc1cncnc1 7a_100000754086_100009817552 [0,1,0,0,0,0|3,0,0]=4 3971 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,0|1,0,0]=2 3972 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,0|1,0,0]=2 3973 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,1,0,0,0,0|2,0,0]=3 3974 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,1,0,0,0,0|2,0,0]=3 3975 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,1,0,0,0,0|2,0,0]=3 3976 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,1,0,0,0,0|2,0,0]=3 3977 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100009817552_100016991348 [0,1,0,0,0,0|3,0,0]=4 3978 B11R1.91 C[C@@H](O)CSc1cccnn1 62a_100016991348_100009817552 [0,1,0,0,0,0|3,0,0]=4 3979 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [0,1,0,0,0,0|2,0,0]=3 3980 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [0,1,0,0,0,0|2,0,0]=3 3981 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100000703185_100009817552 [0,1,0,0,0,0|3,0,0]=4 3982 B11R1.91 C[C@@H](O)CSc1ccncn1 62a_100009817552_100000703185 [0,1,0,0,0,0|3,0,0]=4 3983 B11R1.91 C[C@@H](O)CSc1ccnnc1 62a_100000732662_100009817552 [0,1,0,0,0,0|3,0,0]=4 3984 B11R1.91 C[C@@H](O)CSc1ccnnc1 62a_100009817552_100000732662 [0,1,0,0,0,0|3,0,0]=4 3985 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,1,0,0,0,0|3,0,0]=4 3986 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,1,0,0,0,0|3,0,0]=4 3987 B11R1.91 C[C@@H](O)CSc1cncnc1 62a_100009817552_100011206942 [0,1,0,0,0,0|3,0,0]=4 3988 B11R1.91 C[C@@H](O)CSc1cncnc1 62a_100011206942_100009817552 [0,1,0,0,0,0|3,0,0]=4 3989 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100000211032_100009817552 [0,1,0,0,0,0|3,0,0]=4 3990 B11R1.91 C[C@@H](O)CSc1ncccn1 62a_100009817552_100000211032 [0,1,0,0,0,0|3,0,0]=4 3991 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,1,0,0,0,0|2,0,0]=3 3992 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,1,0,0,0,0|2,0,0]=3 3993 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,1,0,0,0,0|2,0,0]=3 3994 B11R1.91 FC(F)COc1cccnc1 34a_100000210849_100011934356 [0,1,0,0,0,0|3,0,0]=4 3995 B11R1.91 FC(F)COc1cccnc1 7a_100000210849_100011934356 [0,1,0,0,0,0|3,0,0]=4 3996 B11R1.91 FC(F)COc1ccncc1 34a_100000212176_100011934356 [0,1,0,0,0,0|3,0,0]=4 3997 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,1,0,0,0,0|2,0,0]=3 3998 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,1,0,0,0,0|2,0,0]=3 3999 B11R1.91 FC(F)CSc1ccccn1 62a_100011216584_100011934356 [0,1,0,0,0,0|3,0,0]=4 4000 B11R1.91 FC(F)CSc1ccccn1 62a_100011934356_100011216584 [0,1,0,0,0,0|3,0,0]=4 4001 B11R1.91 FC(F)CSc1cccnc1 62a_100000210063_100011934356 [0,1,0,0,0,0|3,0,0]=4 4002 B11R1.91 FC(F)CSc1cccnc1 62a_100011934356_100000210063 [0,1,0,0,0,0|3,0,0]=4 4003 B11R1.91 FC(F)CSc1ccncc1 62a_100000728582_100011934356 [0,1,0,0,0,0|3,0,0]=4 4004 B11R1.91 FC(F)CSc1ccncc1 62a_100011934356_100000728582 [0,1,0,0,0,0|3,0,0]=4 4005 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,1,0,0,0,0|1,0,2]=4 4006 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,1,0,0,0,0|1,0,2]=4 4007 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,1,0,0,0,0|1,0,2]=4 4008 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,1,0,0,0,0|1,0,2]=4 4009 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,1,0,0,0,0|1,0,2]=4 4010 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,1,0,0,0,0|1,0,2]=4 4011 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,1,0,0,0,0|1,0,2]=4 4012 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,1,0,0,0,0|1,0,2]=4 4013 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,1,0,0,0,0|1,0,2]=4 4014 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,1,0,0,0,0|2,0,1]=4 4015 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,1,0,0,0,0|2,0,1]=4 4016 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,1,0,0,0,0|2,0,1]=4 4017 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|0,0,2]=3 4018 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,0|1,0,2]=4 4019 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,0|1,0,2]=4 4020 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,0|1,0,2]=4 4021 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|1,0,2]=4 4022 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|1,0,2]=4 4023 B9R0.18 C#CCCC(=O)C=CC=C 1458a_100016291481_100000753159 [0,0,1,0,0,0|2,0,1]=4 4024 B9R0.18 C=CC=CC(=O)CCC#N 1458a_100016291481_100011215226 [0,0,1,0,0,0|2,0,1]=4 4025 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,0,1,0,0,0|2,0,1]=4 4026 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,0,1,0,0,0|2,0,0]=3 4027 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,0,1,0,0,0|2,0,0]=3 4028 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,0,1,0,0,0|1,0,0]=2 4029 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,0,1,0,0,0|3,0,0]=4 4030 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,0,1,0,0,0|3,0,0]=4 4031 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,0,1,0,0,0|3,0,0]=4 4032 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,0,1,0,0,0|3,0,0]=4 4033 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [0,0,1,0,0,0|1,0,2]=4 4034 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [0,0,1,0,0,0|1,0,2]=4 4035 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,0,1,0,0,0|1,0,2]=4 4036 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [0,0,1,0,0,0|2,0,1]=4 4037 B9R0.40 C=CCC(C=C)OCCO 34a_100000038011_100000211926 [0,0,1,0,0,0|1,0,2]=4 4038 B9R0.40 C=CCC(C=C)OCCO 7a_100000038011_100000211926 [0,0,1,0,0,0|1,0,2]=4 4039 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [0,0,1,0,0,0|1,0,2]=4 4040 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,2]=4 4041 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,0,0,1,0,0|1,0,2]=4 4042 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,0,0,1,0,0|2,0,1]=4 4043 B11R2.238 c1cc(ccn1)OC2CC2 34a_100000212176_100000211595 [0,0,0,1,0,0|3,0,0]=4 4044 B11R2.238 c1cc(ccn1)SC2CC2 62a_100000728582_100000211595 [0,0,0,1,0,0|3,0,0]=4 4045 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|2,0,0]=3 4046 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|2,0,0]=3 4047 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|2,0,0]=3 4048 B11R2.238 c1ccc(nc1)SC2CC2 62a_100011216584_100000211595 [0,0,0,1,0,0|3,0,0]=4 4049 B11R2.238 c1cncc(c1)OC2CC2 34a_100000210849_100000211595 [0,0,0,1,0,0|3,0,0]=4 4050 B11R2.238 c1cncc(c1)SC2CC2 62a_100000210063_100000211595 [0,0,0,1,0,0|3,0,0]=4 4051 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|2,0,0]=3 4052 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,0]=3 4053 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,0]=3 4054 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,0]=3 4055 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,0]=3 4056 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,0,0,0,1,0|3,0,0]=4 4057 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,0,0,0,1,0|3,0,0]=4 4058 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,1,0|2,0,0]=3 4059 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,0,1,0|2,0,0]=3 4060 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,0,1,0|2,0,0]=3 4061 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,0,1,0|2,0,0]=3 4062 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,0,0,0,1,0|3,0,0]=4 4063 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [0,0,0,0,1,0|3,0,0]=4 4064 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,0,0,1,0|3,0,0]=4 4065 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,0,0,0,1,0|3,0,0]=4 4066 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [0,0,0,0,1,0|3,0,0]=4 4067 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [0,0,0,0,1,0|3,0,0]=4 4068 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,0,0,0,1,0|3,0,0]=4 4069 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,0,0,0,1,0|3,0,0]=4 4070 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,0,0,1,0|3,0,0]=4 4071 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,0,0,0,1,0|3,0,0]=4 4072 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,0,0,0,1,0|3,0,0]=4 4073 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,0,0,0,1,0|3,0,0]=4 4074 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,0,1,0|3,0,0]=4 4075 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,0,1,0|3,0,0]=4 4076 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,0,0,0,1,0|3,0,0]=4 4077 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,0,0,0,1,0|3,0,0]=4 4078 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,0,0,0,1,0|3,0,0]=4 4079 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,0,0,0,1,0|3,0,0]=4 4080 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,0,0,0,1,0|3,0,0]=4 4081 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,0,0,0,1,0|3,0,0]=4 4082 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,0,1,0|3,0,0]=4 4083 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,0,1,0|3,0,0]=4 4084 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,0,1,0|3,0,0]=4 4085 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,0,1,0|3,0,0]=4 4086 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,0,0,0,1,0|3,0,0]=4 4087 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,0,0,0,1,0|3,0,0]=4 4088 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,0,0,0,1,0|3,0,0]=4 4089 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,0,0,0,1,0|3,0,0]=4 4090 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,0,0,0,1,0|3,0,0]=4 4091 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,0,0,0,1,0|3,0,0]=4 4092 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,0,0,0,1,0|3,0,0]=4 4093 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,0,0,0,1,0|3,0,0]=4 4094 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,0,0,0,1,0|3,0,0]=4 4095 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,0,0,0,1,0|3,0,0]=4 4096 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,0,0,0,1,0|3,0,0]=4 4097 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,0,0,0,1,0|3,0,0]=4 4098 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,0,1,0|3,0,0]=4 4099 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,0,0,0,1,0|3,0,0]=4 4100 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,0,0,0,1,0|3,0,0]=4 4101 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,0,0,0,1,0|3,0,0]=4 4102 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,0,0,0,1,0|3,0,0]=4 4103 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,0,0,0,1,0|3,0,0]=4 4104 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,0,0,0,1,0|3,0,0]=4 4105 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,0,1,0|3,0,0]=4 4106 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,0,1,0|3,0,0]=4 4107 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,0,0,0,1,0|3,0,0]=4 4108 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,0,0,0,1,0|3,0,0]=4 4109 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,0,0,0,1,0|3,0,0]=4 4110 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,0,0,0,1,0|3,0,0]=4 4111 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,0,0,0,1,0|3,0,0]=4 4112 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,0,0,0,1,0|3,0,0]=4 4113 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,0,0,0,1,0|3,0,0]=4 4114 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,0,0,0,1,0|3,0,0]=4 4115 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,0,0,0,1,0|3,0,0]=4 4116 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,0,0,0,1,0|3,0,0]=4 4117 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,0,0,0,1,0|3,0,0]=4 4118 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,0,0,0,1,0|3,0,0]=4 4119 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,0,0,0,1,0|3,0,0]=4 4120 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,0,0,0,1,0|3,0,0]=4 4121 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,0,0,0,1,0|3,0,0]=4 4122 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,0,0,0,1,0|3,0,0]=4 4123 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,0,0,0,1,0|3,0,0]=4 4124 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,0,0,0,1,0|3,0,0]=4 4125 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,0,0,0,1,0|3,0,0]=4 4126 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,0,0,0,1,0|3,0,0]=4 4127 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,0,0,0,1,0|3,0,0]=4 4128 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,0,0,0,1,0|3,0,0]=4 4129 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,0,0,0,1,0|3,0,0]=4 4130 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,0,0,0,1,0|3,0,0]=4 4131 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,0,0,0,1,0|3,0,0]=4 4132 B9R1.12 FCCSc1ccoc1 62a_100011215275_100011217306 [0,0,0,0,1,0|3,0,0]=4 4133 B9R1.12 FCCSc1ccoc1 62a_100011217306_100011215275 [0,0,0,0,1,0|3,0,0]=4 4134 B9R1.12 FCCSc1ccsc1 62a_100000738268_100011217306 [0,0,0,0,1,0|3,0,0]=4 4135 B9R1.12 FCCSc1ccsc1 62a_100011217306_100000738268 [0,0,0,0,1,0|3,0,0]=4 4136 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,0,0,0,1,0|3,0,0]=4 4137 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,0,0,0,1,0|3,0,0]=4 4138 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,0,0,0,1,0|3,0,0]=4 4139 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,0,0,0,1,0|3,0,0]=4 4140 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,0,0,0,1,0|3,0,0]=4 4141 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,0,0,0,1,0|3,0,0]=4 4142 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,0,0,0,1,0|3,0,0]=4 4143 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,0,0,0,1,0|3,0,0]=4 4144 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,0,0,0,1,0|3,0,0]=4 4145 B9R1.12 OCCCN1CC=CC1 269982a_100015195280_100011215043 [0,0,0,0,1,0|1,0,2]=4 4146 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,0,0,0,1,0|2,0,0]=3 4147 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,0,0,0,1,0|2,0,0]=3 4148 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [0,0,0,0,1,0|3,0,0]=4 4149 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [0,0,0,0,1,0|3,0,0]=4 4150 B9R1.12 OCCSc1cc[nH]n1 62a_100000062575_100000211926 [0,0,0,0,1,0|3,0,0]=4 4151 B9R1.12 OCCSc1cc[nH]n1 62a_100000211926_100000062575 [0,0,0,0,1,0|3,0,0]=4 4152 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,0,0,0,1,0|2,0,0]=3 4153 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,0,0,0,1,0|2,0,0]=3 4154 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,0,0,0,1,0|2,0,0]=3 4155 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,0,0,0,1,0|2,0,0]=3 4156 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,0,0,0,1,0|2,0,0]=3 4157 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,0,0,0,1,0|2,0,0]=3 4158 B9R1.12 OCCSc1ccon1 62a_100000211926_100009818083 [0,0,0,0,1,0|3,0,0]=4 4159 B9R1.12 OCCSc1ccon1 62a_100009818083_100000211926 [0,0,0,0,1,0|3,0,0]=4 4160 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,0,0,0,1,0|2,0,0]=3 4161 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,0,0,0,1,0|2,0,0]=3 4162 B9R1.12 OCCSc1ccsn1 62a_100000211926_100009818082 [0,0,0,0,1,0|3,0,0]=4 4163 B9R1.12 OCCSc1ccsn1 62a_100009818082_100000211926 [0,0,0,0,1,0|3,0,0]=4 4164 B9R1.12 OCCSc1cn[nH]c1 62a_100000211926_100000238712 [0,0,0,0,1,0|3,0,0]=4 4165 B9R1.12 OCCSc1cn[nH]c1 62a_100000238712_100000211926 [0,0,0,0,1,0|3,0,0]=4 4166 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,0,0,0,1,0|3,0,0]=4 4167 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,0,0,0,1,0|3,0,0]=4 4168 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,0,0,0,1,0|3,0,0]=4 4169 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,0,0,0,1,0|3,0,0]=4 4170 B9R1.12 OCCSc1cnoc1 62a_100000211926_100009815712 [0,0,0,0,1,0|3,0,0]=4 4171 B9R1.12 OCCSc1cnoc1 62a_100009815712_100000211926 [0,0,0,0,1,0|3,0,0]=4 4172 B9R1.12 OCCSc1cnsc1 62a_100000211926_100009815736 [0,0,0,0,1,0|3,0,0]=4 4173 B9R1.12 OCCSc1cnsc1 62a_100009815736_100000211926 [0,0,0,0,1,0|3,0,0]=4 4174 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [0,0,0,0,1,0|3,0,0]=4 4175 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [0,0,0,0,1,0|3,0,0]=4 4176 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [0,0,0,0,1,0|3,0,0]=4 4177 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [0,0,0,0,1,0|3,0,0]=4 4178 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,0,0,0,1,0|3,0,0]=4 4179 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,0,0,0,1,0|3,0,0]=4 4180 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [0,0,0,0,1,0|3,0,0]=4 4181 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [0,0,0,0,1,0|3,0,0]=4 4182 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,0,1,0|3,0,0]=4 4183 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,0,1,0|3,0,0]=4 4184 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,0,0,0,1,0|3,0,0]=4 4185 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,0,0,0,1,0|3,0,0]=4 4186 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,0,0,0,1,0|3,0,0]=4 4187 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,0,0,0,1,0|3,0,0]=4 4188 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,0,0,0,1,0|3,0,0]=4 4189 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,0,0,0,1,0|3,0,0]=4 4190 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,0,0,0,1,0|3,0,0]=4 4191 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,0,0,0,1,0|3,0,0]=4 4192 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,0,0,0,1,0|3,0,0]=4 4193 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,0,0,0,1,0|3,0,0]=4 4194 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,0,0,0,1,0|3,0,0]=4 4195 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,0,0,0,1,0|3,0,0]=4 4196 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,0,0,0,1,0|3,0,0]=4 4197 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|1,0,0]=3 4198 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,0,1,0,0,0|2,0,0]=4 4199 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|1,0,0]=3 4200 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,0,1,0,0,0|1,0,1]=4 4201 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,0,1,0,0,0|1,0,1]=4 4202 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [1,0,1,0,0,0|2,0,0]=4 4203 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [1,0,1,0,0,0|2,0,0]=4 4204 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [1,0,1,0,0,0|2,0,0]=4 4205 B8R0.11 C=CC(C=C)OCCO 34a_100000033096_100000211926 [1,0,1,0,0,0|1,0,1]=4 4206 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,2]=4 4207 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 4208 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 4209 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 4210 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 4211 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 4212 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 4213 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,0]=3 4214 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,0]=3 4215 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 4216 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 4217 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 4218 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 4219 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|2,0,0]=4 4220 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|2,0,0]=4 4221 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 4222 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 4223 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 4224 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 4225 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 4226 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 4227 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,0]=3 4228 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,0]=3 4229 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 4230 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 4231 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 4232 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 4233 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|2,0,0]=4 4234 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|2,0,0]=4 4235 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,1,1,0,0,0|2,0,0]=4 4236 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [0,1,1,0,0,0|2,0,0]=4 4237 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,1,1,0,0,0|2,0,0]=4 4238 B10R0.18 C=CC=CC(=O)C[C@@H](C)CO 1458a_100016291481_100000059175 [0,1,1,0,0,0|1,0,0]=3 4239 B10R0.19 C=CC=CC(=O)C(C)CCC 1458a_100016291481_100000766640 [0,1,1,0,0,0|2,0,0]=4 4240 B10R0.19 C=CC=CC(=O)C(C)CCO 1458a_100016291481_100009893172 [0,1,1,0,0,0|1,0,0]=3 4241 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [0,1,1,0,0,0|2,0,0]=4 4242 B10R0.78 C=CC=CC(=O)CCC(C)O 1458a_100016291481_100012276601 [0,1,1,0,0,0|1,0,0]=3 4243 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [0,1,1,0,0,0|2,0,0]=4 4244 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [0,1,1,0,0,0|2,0,0]=4 4245 B10R0.91 C/C=C/C=CC(=O)CCCF 1458a_100000185730_100011934791 [0,1,1,0,0,0|2,0,0]=4 4246 B10R0.91 C/C=C/C=CC(=O)CCCO 1458a_100000185730_100011215043 [0,1,1,0,0,0|1,0,0]=3 4247 B10R0.91 C/C=C/C=CC(=O)NCCO 240690a_100000210304_100000185730 [0,1,1,0,0,0|2,0,0]=4 4248 B10R0.91 C=CC=CC(=O)CC#CCO 1458a_100016291481_200000047223 [0,1,1,0,0,0|1,0,1]=4 4249 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [0,1,1,0,0,0|2,0,0]=4 4250 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,1,1,0,0,0|2,0,0]=4 4251 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,1,1,0,0,0|2,0,0]=4 4252 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,1,1,0,0,0|2,0,0]=4 4253 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,1,1,0,0,0|1,0,0]=3 4254 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,1,1,0,0,0|1,0,0]=3 4255 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,1,1,0,0,0|2,0,0]=4 4256 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,1,1,0,0,0|2,0,0]=4 4257 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,1,1,0,0,0|2,0,0]=4 4258 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [0,1,1,0,0,0|2,0,0]=4 4259 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,1,1,0,0,0|2,0,0]=4 4260 B10R0.91 C=CC=CC(=O)NNCCO 22a_100000210001_100016291481 [0,1,1,0,0,0|2,0,0]=4 4261 B10R0.24 C=CCC(C=C)OCCCO 34a_100000038011_100000230001 [0,1,1,0,0,0|0,0,2]=4 4262 B10R0.24 C=CCC(C=C)OCCCO 7a_100000038011_100011215043 [0,1,1,0,0,0|0,0,2]=4 4263 B10R0.90 C=CCN(CC=C)CCCO 2230a_100000210471_100000230001 [0,1,1,0,0,0|1,0,1]=4 4264 B10R0.90 C=CCN(CC=C)CCCO 269982a_100000210471_100011215043 [0,1,1,0,0,0|1,0,1]=4 4265 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,1,1,0,0,0|1,0,1]=4 4266 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [0,1,1,0,0,0|0,0,2]=4 4267 B10R0.71 CC=CC=CC=NNCCO 4a_100000210001_100000691131 [0,1,1,0,0,0|1,0,1]=4 4268 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,1,0,0,0,0|0,0,2]=4 4269 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,1,0,0,0,0|0,0,2]=4 4270 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,1,0,0,0,0|0,0,2]=4 4271 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,1,0,0,0,0|0,0,2]=4 4272 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,1,0,0,0,0|0,0,2]=4 4273 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,1,0,0,0,0|0,0,2]=4 4274 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,1,0,0,0,0|0,0,2]=4 4275 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|0,0,0]=2 4276 B10R1.1 CCCc1cnc(nc1)O 271570a_203496583355_100000039067 [1,1,0,0,0,0|2,0,0]=4 4277 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|1,0,0]=3 4278 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|1,0,0]=3 4279 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|1,0,0]=3 4280 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|1,0,0]=3 4281 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|1,0,0]=3 4282 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|1,0,0]=3 4283 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|1,0,0]=3 4284 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|1,0,0]=3 4285 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,0]=3 4286 B10R1.1 CCNc1ccc(cn1)Br 27a_100015525214_100000686858 [1,1,0,0,0,0|2,0,0]=4 4287 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [1,1,0,0,0,0|2,0,0]=4 4288 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [1,1,0,0,0,0|2,0,0]=4 4289 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|1,0,0]=3 4290 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|1,0,0]=3 4291 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|1,0,0]=3 4292 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|1,0,0]=3 4293 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|1,0,0]=3 4294 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|1,0,0]=3 4295 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|1,0,0]=3 4296 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|1,0,0]=3 4297 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|1,0,0]=3 4298 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|1,0,0]=3 4299 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|1,0,0]=3 4300 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [1,1,0,0,0,0|2,0,0]=4 4301 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [1,1,0,0,0,0|2,0,0]=4 4302 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [1,1,0,0,0,0|2,0,0]=4 4303 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [1,1,0,0,0,0|2,0,0]=4 4304 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [1,1,0,0,0,0|2,0,0]=4 4305 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [1,1,0,0,0,0|2,0,0]=4 4306 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [1,1,0,0,0,0|2,0,0]=4 4307 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [1,1,0,0,0,0|2,0,0]=4 4308 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [1,1,0,0,0,0|2,0,0]=4 4309 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [1,1,0,0,0,0|2,0,0]=4 4310 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [1,1,0,0,0,0|2,0,0]=4 4311 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [1,1,0,0,0,0|2,0,0]=4 4312 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [1,1,0,0,0,0|2,0,0]=4 4313 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [1,1,0,0,0,0|2,0,0]=4 4314 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [1,1,0,0,0,0|2,0,0]=4 4315 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [1,1,0,0,0,0|2,0,0]=4 4316 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [1,1,0,0,0,0|2,0,0]=4 4317 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [1,1,0,0,0,0|2,0,0]=4 4318 B10R1.1 CCSc1cc[n+](cc1)[O-] 62a_100000210202_100000039755 [1,1,0,0,0,0|2,0,0]=4 4319 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [1,1,0,0,0,0|2,0,0]=4 4320 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [1,1,0,0,0,0|2,0,0]=4 4321 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|1,0,0]=3 4322 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|1,0,0]=3 4323 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|1,0,0]=3 4324 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|1,0,0]=3 4325 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|1,0,0]=3 4326 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|1,0,0]=3 4327 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|1,0,0]=3 4328 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|1,0,0]=3 4329 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|1,0,0]=3 4330 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|1,0,0]=3 4331 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|1,0,0]=3 4332 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|1,0,0]=3 4333 B10R1.1 CCSc1ccc(cn1)Br 62a_100000210202_100000686858 [1,1,0,0,0,0|2,0,0]=4 4334 B10R1.1 CCSc1ccc(cn1)Br 62a_100000686858_100000210202 [1,1,0,0,0,0|2,0,0]=4 4335 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [1,1,0,0,0,0|2,0,0]=4 4336 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [1,1,0,0,0,0|2,0,0]=4 4337 B10R1.1 CCSc1ccc(cn1)Cl 62a_100000210202_100011356976 [1,1,0,0,0,0|2,0,0]=4 4338 B10R1.1 CCSc1ccc(cn1)Cl 62a_100011356976_100000210202 [1,1,0,0,0,0|2,0,0]=4 4339 B10R1.1 CCSc1ccc(cn1)F 62a_100000210202_100000744514 [1,1,0,0,0,0|2,0,0]=4 4340 B10R1.1 CCSc1ccc(cn1)F 62a_100000744514_100000210202 [1,1,0,0,0,0|2,0,0]=4 4341 B10R1.1 CCSc1ccc(cn1)N 62a_100000210202_100000737798 [1,1,0,0,0,0|2,0,0]=4 4342 B10R1.1 CCSc1ccc(cn1)N 62a_100000737798_100000210202 [1,1,0,0,0,0|2,0,0]=4 4343 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [1,1,0,0,0,0|2,0,0]=4 4344 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [1,1,0,0,0,0|2,0,0]=4 4345 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [1,1,0,0,0,0|2,0,0]=4 4346 B10R1.1 CCSc1ccc(nc1)Br 62a_100000210202_100009814638 [1,1,0,0,0,0|2,0,0]=4 4347 B10R1.1 CCSc1ccc(nc1)Br 62a_100009814638_100000210202 [1,1,0,0,0,0|2,0,0]=4 4348 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [1,1,0,0,0,0|2,0,0]=4 4349 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [1,1,0,0,0,0|2,0,0]=4 4350 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000034144_100000210202 [1,1,0,0,0,0|2,0,0]=4 4351 B10R1.1 CCSc1ccc(nc1)Cl 62a_100000210202_100000034144 [1,1,0,0,0,0|2,0,0]=4 4352 B10R1.1 CCSc1ccc(nc1)F 62a_100000042367_100000210202 [1,1,0,0,0,0|2,0,0]=4 4353 B10R1.1 CCSc1ccc(nc1)F 62a_100000210202_100000042367 [1,1,0,0,0,0|2,0,0]=4 4354 B10R1.1 CCSc1ccc(nc1)N 62a_100000187370_100000210202 [1,1,0,0,0,0|2,0,0]=4 4355 B10R1.1 CCSc1ccc(nc1)N 62a_100000210202_100000187370 [1,1,0,0,0,0|2,0,0]=4 4356 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,0]=3 4357 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 4358 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 4359 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,0]=3 4360 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,0]=3 4361 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 4362 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,0]=3 4363 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 4364 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,0]=3 4365 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,0]=3 4366 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,0]=3 4367 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,0]=3 4368 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,0]=3 4369 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,0]=3 4370 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,0]=3 4371 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,0]=3 4372 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,0]=3 4373 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 4374 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,0]=3 4375 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,0]=3 4376 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 4377 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,0]=3 4378 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,0]=3 4379 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,0]=3 4380 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 4381 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 4382 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,0]=3 4383 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 4384 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,0]=3 4385 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 4386 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,0]=3 4387 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 4388 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 4389 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 4390 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,0]=3 4391 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 4392 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,0]=3 4393 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,0]=3 4394 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|2,0,0]=4 4395 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 4396 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|2,0,0]=4 4397 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4398 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|2,0,0]=4 4399 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 4400 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|2,0,0]=4 4401 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|2,0,0]=4 4402 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|2,0,0]=4 4403 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4404 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|2,0,0]=4 4405 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|2,0,0]=4 4406 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|2,0,0]=4 4407 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 4408 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|2,0,0]=4 4409 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4410 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|2,0,0]=4 4411 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 4412 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|2,0,0]=4 4413 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 4414 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|2,0,0]=4 4415 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|2,0,0]=4 4416 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|2,0,0]=4 4417 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 4418 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 4419 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 4420 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 4421 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,1,0,0,0,0|2,0,0]=4 4422 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 4423 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,1,0,0,0,0|2,0,0]=4 4424 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,1,0,0,0,0|2,0,0]=4 4425 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,1,0,0,0,0|2,0,0]=4 4426 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,1,0,0,0,0|2,0,0]=4 4427 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,1,0,0,0,0|2,0,0]=4 4428 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 4429 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 4430 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 4431 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,1,0,0,0,0|2,0,0]=4 4432 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 4433 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 4434 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 4435 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 4436 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,1,0,0,0,0|2,0,0]=4 4437 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 4438 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,1,0,0,0,0|2,0,0]=4 4439 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,1,0,0,0,0|2,0,0]=4 4440 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,1,0,0,0,0|2,0,0]=4 4441 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [1,1,0,0,0,0|2,0,0]=4 4442 B10R1.1 COCc1cc[n+](cc1)[O-] 34a_100000031831_200000210301 [1,1,0,0,0,0|2,0,0]=4 4443 B10R1.1 COCc1cc[n+](cc1)[O-] 7a_100000031831_200000210301 [1,1,0,0,0,0|2,0,0]=4 4444 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [1,1,0,0,0,0|2,0,0]=4 4445 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|1,0,0]=3 4446 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|1,0,0]=3 4447 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|1,0,0]=3 4448 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|1,0,0]=3 4449 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|1,0,0]=3 4450 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|1,0,0]=3 4451 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|1,0,0]=3 4452 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|1,0,0]=3 4453 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|1,0,0]=3 4454 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|1,0,0]=3 4455 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|1,0,0]=3 4456 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|1,0,0]=3 4457 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|1,0,0]=3 4458 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|1,0,0]=3 4459 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|1,0,0]=3 4460 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|1,0,0]=3 4461 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [1,1,0,0,0,0|2,0,0]=4 4462 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [1,1,0,0,0,0|2,0,0]=4 4463 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,1,0,0,0,0|2,0,0]=4 4464 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,1,0,0,0,0|2,0,0]=4 4465 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [1,1,0,0,0,0|2,0,0]=4 4466 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [1,1,0,0,0,0|2,0,0]=4 4467 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [1,1,0,0,0,0|2,0,0]=4 4468 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [1,1,0,0,0,0|2,0,0]=4 4469 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [1,1,0,0,0,0|2,0,0]=4 4470 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [1,1,0,0,0,0|2,0,0]=4 4471 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [1,1,0,0,0,0|2,0,0]=4 4472 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [1,1,0,0,0,0|2,0,0]=4 4473 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [1,1,0,0,0,0|2,0,0]=4 4474 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [1,1,0,0,0,0|2,0,0]=4 4475 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [1,1,0,0,0,0|2,0,0]=4 4476 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [1,1,0,0,0,0|2,0,0]=4 4477 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [1,1,0,0,0,0|2,0,0]=4 4478 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [1,1,0,0,0,0|2,0,0]=4 4479 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [1,1,0,0,0,0|2,0,0]=4 4480 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [1,1,0,0,0,0|2,0,0]=4 4481 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|1,0,0]=3 4482 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|1,0,0]=3 4483 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|1,0,0]=3 4484 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|1,0,0]=3 4485 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|1,0,0]=3 4486 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|1,0,0]=3 4487 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|1,0,0]=3 4488 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|1,0,0]=3 4489 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|1,0,0]=3 4490 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|1,0,0]=3 4491 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [1,1,0,0,0,0|2,0,0]=4 4492 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [1,1,0,0,0,0|2,0,0]=4 4493 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,1,0,0,0,0|2,0,0]=4 4494 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,1,0,0,0,0|2,0,0]=4 4495 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4496 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [1,1,0,0,0,0|2,0,0]=4 4497 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [1,1,0,0,0,0|2,0,0]=4 4498 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [1,1,0,0,0,0|2,0,0]=4 4499 B10R1.1 CSCc1ccc(nc1)Br 62a_100009831999_200000210301 [1,1,0,0,0,0|2,0,0]=4 4500 B10R1.1 CSCc1ccc(nc1)Br 62a_200000210301_100009831999 [1,1,0,0,0,0|2,0,0]=4 4501 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [1,1,0,0,0,0|2,0,0]=4 4502 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [1,1,0,0,0,0|2,0,0]=4 4503 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [1,1,0,0,0,0|2,0,0]=4 4504 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [1,1,0,0,0,0|2,0,0]=4 4505 B10R1.1 CSCc1ccc(nc1)F 62a_100009820150_200000210301 [1,1,0,0,0,0|2,0,0]=4 4506 B10R1.1 CSCc1ccc(nc1)F 62a_200000210301_100000099788 [1,1,0,0,0,0|2,0,0]=4 4507 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [1,1,0,0,0,0|2,0,0]=4 4508 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [1,1,0,0,0,0|2,0,0]=4 4509 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,0]=3 4510 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,0]=3 4511 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|1,0,0]=3 4512 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|1,0,0]=3 4513 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|1,0,0]=3 4514 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|1,0,0]=3 4515 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,1,0,0,0,0|2,0,0]=4 4516 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,1,0,0,0,0|2,0,0]=4 4517 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,1,0,0,0,0|2,0,0]=4 4518 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,1,0,0,0,0|2,0,0]=4 4519 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,1,0,0,0,0|2,0,0]=4 4520 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,1,0,0,0,0|2,0,0]=4 4521 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [1,1,0,0,0,0|2,0,0]=4 4522 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [1,1,0,0,0,0|2,0,0]=4 4523 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [1,1,0,0,0,0|2,0,0]=4 4524 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4525 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,1,0,0,0,0|2,0,0]=4 4526 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,1,0,0,0,0|2,0,0]=4 4527 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,1,0,0,0,0|2,0,0]=4 4528 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,1,0,0,0,0|2,0,0]=4 4529 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,1,0,0,0,0|2,0,0]=4 4530 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,1,0,0,0,0|2,0,0]=4 4531 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 4532 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,1,0,0,0,0|2,0,0]=4 4533 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,1,0,0,0,0|2,0,0]=4 4534 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,1,0,0,0,0|2,0,0]=4 4535 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,1,0,0,0,0|2,0,0]=4 4536 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,1,0,0,0,0|2,0,0]=4 4537 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,1,0,0,0,0|2,0,0]=4 4538 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,1,0,0,0,0|2,0,0]=4 4539 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,1,0,0,0,0|2,0,0]=4 4540 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,1,0,0,0,0|2,0,0]=4 4541 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,1,0,0,0,0|2,0,0]=4 4542 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,1,0,0,0,0|2,0,0]=4 4543 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,1,0,0,0,0|2,0,0]=4 4544 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,1,0,0,0,0|2,0,0]=4 4545 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|1,0,1]=4 4546 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|1,0,0]=3 4547 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|2,0,0]=4 4548 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 4549 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 4550 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,1,0,0,0,0|2,0,0]=4 4551 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|0,0,2]=4 4552 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|0,0,0]=2 4553 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|1,0,0]=3 4554 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,1,0,0,0,0|1,0,0]=3 4555 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 4556 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|2,0,0]=4 4557 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 4558 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 4559 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 4560 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 4561 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 4562 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 4563 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 4564 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 4565 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,0]=3 4566 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4567 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4568 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|2,0,0]=4 4569 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 4570 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 4571 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 4572 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 4573 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 4574 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 4575 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,1,0,0,0,0|2,0,0]=4 4576 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 34a_100000031831_200025704644 [1,1,0,0,0,0|2,0,0]=4 4577 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 7a_100000031831_200025704644 [1,1,0,0,0,0|2,0,0]=4 4578 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [1,1,0,0,0,0|2,0,0]=4 4579 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|1,0,0]=3 4580 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|1,0,0]=3 4581 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|1,0,0]=3 4582 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|1,0,0]=3 4583 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|1,0,0]=3 4584 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|1,0,0]=3 4585 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|1,0,0]=3 4586 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|1,0,0]=3 4587 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [1,1,0,0,0,0|2,0,0]=4 4588 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4589 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [1,1,0,0,0,0|2,0,0]=4 4590 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [1,1,0,0,0,0|2,0,0]=4 4591 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [1,1,0,0,0,0|2,0,0]=4 4592 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [1,1,0,0,0,0|2,0,0]=4 4593 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [1,1,0,0,0,0|2,0,0]=4 4594 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [1,1,0,0,0,0|2,0,0]=4 4595 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [1,1,0,0,0,0|2,0,0]=4 4596 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [1,1,0,0,0,0|2,0,0]=4 4597 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|1,0,0]=3 4598 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|1,0,0]=3 4599 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|1,0,0]=3 4600 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|1,0,0]=3 4601 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|1,0,0]=3 4602 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|1,0,0]=3 4603 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|1,0,0]=3 4604 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|1,0,0]=3 4605 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [1,1,0,0,0,0|2,0,0]=4 4606 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [1,1,0,0,0,0|2,0,0]=4 4607 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4608 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [1,1,0,0,0,0|2,0,0]=4 4609 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [1,1,0,0,0,0|2,0,0]=4 4610 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [1,1,0,0,0,0|2,0,0]=4 4611 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_100009831999_200025704644 [1,1,0,0,0,0|2,0,0]=4 4612 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_200025704644_100009831999 [1,1,0,0,0,0|2,0,0]=4 4613 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [1,1,0,0,0,0|2,0,0]=4 4614 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [1,1,0,0,0,0|2,0,0]=4 4615 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_100009820150_200025704644 [1,1,0,0,0,0|2,0,0]=4 4616 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_200025704644_100000099788 [1,1,0,0,0,0|2,0,0]=4 4617 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|0,0,2]=4 4618 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|0,0,2]=4 4619 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|0,0,2]=4 4620 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|0,0,2]=4 4621 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|0,0,2]=4 4622 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|0,0,2]=4 4623 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|0,0,2]=4 4624 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [1,1,0,0,0,0|2,0,0]=4 4625 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|1,0,0]=3 4626 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,0]=3 4627 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|1,0,0]=3 4628 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|1,0,0]=3 4629 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|1,0,0]=3 4630 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,0]=3 4631 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 4632 B10R1.4 CCNc1ccncc1Br 27a_100015525214_100000726257 [1,1,0,0,0,0|2,0,0]=4 4633 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [1,1,0,0,0,0|2,0,0]=4 4634 B10R1.4 CCNc1ccncc1F 27a_100015525214_100000035921 [1,1,0,0,0,0|2,0,0]=4 4635 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,1,0,0,0,0|2,0,0]=4 4636 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|2,0,0]=4 4637 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 4638 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 4639 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|1,0,0]=3 4640 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|1,0,0]=3 4641 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 4642 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 4643 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 4644 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 4645 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 4646 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 4647 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 4648 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 4649 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|1,0,0]=3 4650 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 4651 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 4652 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|2,0,0]=4 4653 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|2,0,0]=4 4654 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 4655 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 4656 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 4657 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 4658 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 4659 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 4660 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 4661 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 4662 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|2,0,0]=4 4663 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|2,0,0]=4 4664 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|2,0,0]=4 4665 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|2,0,0]=4 4666 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|2,0,0]=4 4667 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|2,0,0]=4 4668 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|2,0,0]=4 4669 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|2,0,0]=4 4670 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|2,0,0]=4 4671 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|2,0,0]=4 4672 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|2,0,0]=4 4673 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|2,0,0]=4 4674 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|2,0,0]=4 4675 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|2,0,0]=4 4676 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|2,0,0]=4 4677 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|2,0,0]=4 4678 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|2,0,0]=4 4679 B10R1.4 CCSc1c[nH]ccc1=O 62a_100000210202_100009998708 [1,1,0,0,0,0|2,0,0]=4 4680 B10R1.4 CCSc1c[nH]ccc1=O 62a_100009998708_100000210202 [1,1,0,0,0,0|2,0,0]=4 4681 B10R1.4 CCSc1c[nH]ccc1=S 62a_100000210202_200012280681 [1,1,0,0,0,0|2,0,0]=4 4682 B10R1.4 CCSc1c[nH]ccc1=S 62a_200012280681_100000210202 [1,1,0,0,0,0|2,0,0]=4 4683 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,1,0,0,0,0|2,0,0]=4 4684 B10R1.4 CCSc1cccc[n+]1[O-] 62a_100000210202_200000042595 [1,1,0,0,0,0|2,0,0]=4 4685 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|1,0,0]=3 4686 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|1,0,0]=3 4687 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|1,0,0]=3 4688 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|1,0,0]=3 4689 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|1,0,0]=3 4690 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|1,0,0]=3 4691 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|1,0,0]=3 4692 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|1,0,0]=3 4693 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|1,0,0]=3 4694 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|1,0,0]=3 4695 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|1,0,0]=3 4696 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|1,0,0]=3 4697 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 4698 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,1,0,0,0,0|2,0,0]=4 4699 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,1,0,0,0,0|2,0,0]=4 4700 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,1,0,0,0,0|2,0,0]=4 4701 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,1,0,0,0,0|2,0,0]=4 4702 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,1,0,0,0,0|2,0,0]=4 4703 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,1,0,0,0,0|2,0,0]=4 4704 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,1,0,0,0,0|2,0,0]=4 4705 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,1,0,0,0,0|2,0,0]=4 4706 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,1,0,0,0,0|2,0,0]=4 4707 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,1,0,0,0,0|2,0,0]=4 4708 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,1,0,0,0,0|2,0,0]=4 4709 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,1,0,0,0,0|2,0,0]=4 4710 B10R1.4 CCSc1ccncc1Br 62a_100000210202_100000726257 [1,1,0,0,0,0|2,0,0]=4 4711 B10R1.4 CCSc1ccncc1Br 62a_100000726257_100000210202 [1,1,0,0,0,0|2,0,0]=4 4712 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [1,1,0,0,0,0|2,0,0]=4 4713 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [1,1,0,0,0,0|2,0,0]=4 4714 B10R1.4 CCSc1ccncc1Cl 62a_100000210202_100000708259 [1,1,0,0,0,0|2,0,0]=4 4715 B10R1.4 CCSc1ccncc1Cl 62a_100000708259_100000210202 [1,1,0,0,0,0|2,0,0]=4 4716 B10R1.4 CCSc1ccncc1F 62a_100000047030_100000210202 [1,1,0,0,0,0|2,0,0]=4 4717 B10R1.4 CCSc1ccncc1F 62a_100000210202_100000047030 [1,1,0,0,0,0|2,0,0]=4 4718 B10R1.4 CCSc1ccncc1N 62a_100000210202_100000756074 [1,1,0,0,0,0|2,0,0]=4 4719 B10R1.4 CCSc1ccncc1N 62a_100000756074_100000210202 [1,1,0,0,0,0|2,0,0]=4 4720 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [1,1,0,0,0,0|2,0,0]=4 4721 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [1,1,0,0,0,0|2,0,0]=4 4722 B10R1.4 CCSc1cnccc1Br 62a_100000210202_100010138639 [1,1,0,0,0,0|2,0,0]=4 4723 B10R1.4 CCSc1cnccc1Br 62a_100010138639_100000210202 [1,1,0,0,0,0|2,0,0]=4 4724 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,1,0,0,0,0|2,0,0]=4 4725 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,1,0,0,0,0|2,0,0]=4 4726 B10R1.4 CCSc1cnccc1Cl 62a_100000210202_100009995489 [1,1,0,0,0,0|2,0,0]=4 4727 B10R1.4 CCSc1cnccc1Cl 62a_100009995489_100000210202 [1,1,0,0,0,0|2,0,0]=4 4728 B10R1.4 CCSc1cnccc1F 62a_100000210202_100009820683 [1,1,0,0,0,0|2,0,0]=4 4729 B10R1.4 CCSc1cnccc1F 62a_100009820683_100000210202 [1,1,0,0,0,0|2,0,0]=4 4730 B10R1.4 CCSc1cnccc1N 62a_100000047001_100000210202 [1,1,0,0,0,0|2,0,0]=4 4731 B10R1.4 CCSc1cnccc1N 62a_100000210202_100000047001 [1,1,0,0,0,0|2,0,0]=4 4732 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,1,0,0,0,0|2,0,0]=4 4733 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,1,0,0,0,0|2,0,0]=4 4734 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|2,0,0]=4 4735 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|2,0,0]=4 4736 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,1,0,0,0,0|2,0,0]=4 4737 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,1,0,0,0,0|2,0,0]=4 4738 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,1,0,0,0,0|2,0,0]=4 4739 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,1,0,0,0,0|2,0,0]=4 4740 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,1,0,0,0,0|2,0,0]=4 4741 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,1,0,0,0,0|2,0,0]=4 4742 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 4743 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,1,0,0,0,0|2,0,0]=4 4744 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,0]=3 4745 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 4746 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 4747 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,0]=3 4748 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,0]=3 4749 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 4750 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,0]=3 4751 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 4752 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,0]=3 4753 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 4754 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,0]=3 4755 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,0]=3 4756 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,0]=3 4757 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 4758 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,0]=3 4759 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 4760 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 4761 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,0]=3 4762 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,0]=3 4763 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 4764 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,0]=3 4765 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 4766 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,0]=3 4767 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 4768 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,0]=3 4769 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,0]=3 4770 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,0]=3 4771 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 4772 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,0]=3 4773 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 4774 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,0]=3 4775 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,0]=3 4776 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 4777 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,0]=3 4778 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,0]=3 4779 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4780 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 4781 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 4782 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|2,0,0]=4 4783 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 4784 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|2,0,0]=4 4785 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 4786 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|2,0,0]=4 4787 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|2,0,0]=4 4788 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 4789 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 4790 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 4791 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 4792 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|2,0,0]=4 4793 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 4794 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 4795 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|2,0,0]=4 4796 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|2,0,0]=4 4797 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 4798 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|2,0,0]=4 4799 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|2,0,0]=4 4800 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|2,0,0]=4 4801 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [1,1,0,0,0,0|2,0,0]=4 4802 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 4803 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,1,0,0,0,0|2,0,0]=4 4804 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 4805 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [1,1,0,0,0,0|2,0,0]=4 4806 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 4807 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [1,1,0,0,0,0|2,0,0]=4 4808 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 4809 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [1,1,0,0,0,0|2,0,0]=4 4810 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,1,0,0,0,0|2,0,0]=4 4811 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|2,0,0]=4 4812 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 4813 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|2,0,0]=4 4814 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|2,0,0]=4 4815 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 4816 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,1,0,0,0,0|2,0,0]=4 4817 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|2,0,0]=4 4818 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 4819 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|2,0,0]=4 4820 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|2,0,0]=4 4821 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 4822 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|2,0,0]=4 4823 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 4824 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|2,0,0]=4 4825 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|2,0,0]=4 4826 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|2,0,0]=4 4827 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 4828 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|2,0,0]=4 4829 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|2,0,0]=4 4830 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 4831 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|2,0,0]=4 4832 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 4833 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|2,0,0]=4 4834 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 4835 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|2,0,0]=4 4836 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|2,0,0]=4 4837 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|2,0,0]=4 4838 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 4839 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|2,0,0]=4 4840 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|2,0,0]=4 4841 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 4842 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,0]=3 4843 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 4844 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,0]=3 4845 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,0]=3 4846 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,0]=3 4847 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 4848 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,0]=3 4849 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 4850 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 4851 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,0]=3 4852 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 4853 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 4854 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,0]=3 4855 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 4856 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,0]=3 4857 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|1,0,0]=3 4858 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 4859 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,1,0,0,0,0|2,0,0]=4 4860 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 4861 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|2,0,0]=4 4862 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|2,0,0]=4 4863 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|2,0,0]=4 4864 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 4865 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,1,0,0,0,0|2,0,0]=4 4866 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 4867 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 4868 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,1,0,0,0,0|2,0,0]=4 4869 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 4870 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [1,1,0,0,0,0|2,0,0]=4 4871 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [1,1,0,0,0,0|2,0,0]=4 4872 B10R1.4 COCc1ccncc1F 34a_100012172863_200000210301 [1,1,0,0,0,0|2,0,0]=4 4873 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,1,0,0,0,0|2,0,0]=4 4874 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,1,0,0,0,0|2,0,0]=4 4875 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [1,1,0,0,0,0|2,0,0]=4 4876 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 4877 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|2,0,0]=4 4878 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|2,0,0]=4 4879 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|2,0,0]=4 4880 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|2,0,0]=4 4881 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|2,0,0]=4 4882 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|2,0,0]=4 4883 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|2,0,0]=4 4884 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|2,0,0]=4 4885 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,0,0]=3 4886 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,0,0]=3 4887 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|1,0,0]=3 4888 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|1,0,0]=3 4889 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,0,0]=3 4890 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,0,0]=3 4891 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,0,0]=3 4892 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,0,0]=3 4893 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,0,0]=3 4894 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,0,0]=3 4895 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|1,0,0]=3 4896 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [1,1,0,0,0,0|2,0,0]=4 4897 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [1,1,0,0,0,0|2,0,0]=4 4898 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,1,0,0,0,0|2,0,0]=4 4899 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,1,0,0,0,0|2,0,0]=4 4900 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [1,1,0,0,0,0|2,0,0]=4 4901 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [1,1,0,0,0,0|2,0,0]=4 4902 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [1,1,0,0,0,0|2,0,0]=4 4903 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [1,1,0,0,0,0|2,0,0]=4 4904 B10R1.4 CSCc1ccncc1C 62a_100020672808_200000210301 [1,1,0,0,0,0|2,0,0]=4 4905 B10R1.4 CSCc1ccncc1C 62a_200000210301_100020672808 [1,1,0,0,0,0|2,0,0]=4 4906 B10R1.4 CSCc1ccncc1Cl 62a_100000763264_200000210301 [1,1,0,0,0,0|2,0,0]=4 4907 B10R1.4 CSCc1ccncc1Cl 62a_200000210301_100000763264 [1,1,0,0,0,0|2,0,0]=4 4908 B10R1.4 CSCc1cnccc1C 62a_100000690890_200000210301 [1,1,0,0,0,0|2,0,0]=4 4909 B10R1.4 CSCc1cnccc1C 62a_200000210301_100000690890 [1,1,0,0,0,0|2,0,0]=4 4910 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4911 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,1,0,0,0,0|2,0,0]=4 4912 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|2,0,0]=4 4913 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|2,0,0]=4 4914 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,1,0,0,0,0|2,0,0]=4 4915 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,1,0,0,0,0|2,0,0]=4 4916 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,1,0,0,0,0|2,0,0]=4 4917 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,1,0,0,0,0|2,0,0]=4 4918 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,1,0,0,0,0|2,0,0]=4 4919 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,1,0,0,0,0|2,0,0]=4 4920 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,0]=3 4921 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,0]=3 4922 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,0]=3 4923 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|1,0,0]=3 4924 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|1,0,0]=3 4925 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|2,0,0]=4 4926 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|2,0,0]=4 4927 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|2,0,0]=4 4928 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|2,0,0]=4 4929 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|2,0,0]=4 4930 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|2,0,0]=4 4931 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|2,0,0]=4 4932 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|2,0,0]=4 4933 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|2,0,0]=4 4934 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,1,0,0,0,0|2,0,0]=4 4935 B10R1.4 Cc1ccncc1CS[13CH3] 62a_100000690890_200025704644 [1,1,0,0,0,0|2,0,0]=4 4936 B10R1.4 Cc1ccncc1CS[13CH3] 62a_200025704644_100000690890 [1,1,0,0,0,0|2,0,0]=4 4937 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [1,1,0,0,0,0|2,0,0]=4 4938 B10R1.4 Cc1cnccc1CS[13CH3] 62a_100020672808_200025704644 [1,1,0,0,0,0|2,0,0]=4 4939 B10R1.4 Cc1cnccc1CS[13CH3] 62a_200025704644_100020672808 [1,1,0,0,0,0|2,0,0]=4 4940 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|2,0,0]=4 4941 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|2,0,0]=4 4942 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,1,0,0,0,0|2,0,0]=4 4943 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,1,0,0,0,0|2,0,0]=4 4944 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 4945 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 4946 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 4947 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 4948 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|2,0,0]=4 4949 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|2,0,0]=4 4950 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|2,0,0]=4 4951 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|2,0,0]=4 4952 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|2,0,0]=4 4953 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|2,0,0]=4 4954 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 4955 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 4956 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|2,0,0]=4 4957 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|2,0,0]=4 4958 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|2,0,0]=4 4959 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|2,0,0]=4 4960 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|2,0,0]=4 4961 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|2,0,0]=4 4962 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 4963 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,0]=3 4964 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 4965 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 4966 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 4967 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 4968 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|2,0,0]=4 4969 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,0]=2 4970 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 4971 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 4972 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|2,0,0]=4 4973 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 4974 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 4975 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 4976 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 4977 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,0]=3 4978 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,0]=3 4979 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4980 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 4981 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 4982 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 4983 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|2,0,0]=4 4984 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [1,1,0,0,0,0|2,0,0]=4 4985 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|2,0,0]=4 4986 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|2,0,0]=4 4987 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 4988 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 4989 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 4990 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 4991 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 4992 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 4993 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 4994 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 4995 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,0]=3 4996 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 4997 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 4998 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 4999 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 5000 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 5001 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 5002 B10R1.4 [13CH3]OCc1ccncc1F 34a_100012172863_200025704644 [1,1,0,0,0,0|2,0,0]=4 5003 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [1,1,0,0,0,0|2,0,0]=4 5004 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 5005 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|2,0,0]=4 5006 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|2,0,0]=4 5007 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|2,0,0]=4 5008 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,0,0]=3 5009 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,0,0]=3 5010 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,0,0]=3 5011 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,0,0]=3 5012 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,0,0]=3 5013 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,0,0]=3 5014 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,0,0]=3 5015 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,0,0]=3 5016 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [1,1,0,0,0,0|2,0,0]=4 5017 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [1,1,0,0,0,0|2,0,0]=4 5018 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [1,1,0,0,0,0|2,0,0]=4 5019 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [1,1,0,0,0,0|2,0,0]=4 5020 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [1,1,0,0,0,0|2,0,0]=4 5021 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [1,1,0,0,0,0|2,0,0]=4 5022 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_100000763264_200025704644 [1,1,0,0,0,0|2,0,0]=4 5023 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_200025704644_100000763264 [1,1,0,0,0,0|2,0,0]=4 5024 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,1,0,0,0,0|2,0,0]=4 5025 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,1,0,0,0,0|2,0,0]=4 5026 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,1,0,0,0,0|2,0,0]=4 5027 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,1,0,0,0,0|2,0,0]=4 5028 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,1,0,0,0,0|2,0,0]=4 5029 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,1,0,0,0,0|2,0,0]=4 5030 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,1,0,0,0,0|2,0,0]=4 5031 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,1,0,0,0,0|2,0,0]=4 5032 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|0,0,2]=4 5033 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|0,0,2]=4 5034 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|0,0,2]=4 5035 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|0,0,2]=4 5036 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|0,0,2]=4 5037 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|0,0,2]=4 5038 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|0,0,2]=4 5039 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|0,0,2]=4 5040 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|0,0,2]=4 5041 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|0,0,0]=2 5042 B10R1.10 CCNc1cc(ccn1)F 27a_100015525214_100000764206 [1,1,0,0,0,0|2,0,0]=4 5043 B10R1.10 CCNc1cc[nH]c(=O)c1 27a_100015525214_100000061649 [1,1,0,0,0,0|2,0,0]=4 5044 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|1,0,0]=3 5045 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|1,0,0]=3 5046 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|1,0,0]=3 5047 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|1,0,0]=3 5048 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|1,0,0]=3 5049 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|1,0,0]=3 5050 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,0]=3 5051 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,0]=3 5052 B10R1.10 CCNc1cccc(n1)F 27a_100015525214_100009815982 [1,1,0,0,0,0|2,0,0]=4 5053 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [1,1,0,0,0,0|2,0,0]=4 5054 B10R1.10 CCNc1ccnc(c1)C 27a_100015525214_100000758586 [1,1,0,0,0,0|2,0,0]=4 5055 B10R1.10 CCNc1ccnc(c1)F 27a_100015525214_100009816116 [1,1,0,0,0,0|2,0,0]=4 5056 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|2,0,0]=4 5057 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,1,0,0,0,0|2,0,0]=4 5058 B10R1.10 CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210202 [1,1,0,0,0,0|2,0,0]=4 5059 B10R1.10 CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210202 [1,1,0,0,0,0|2,0,0]=4 5060 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|2,0,0]=4 5061 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|1,0,0]=3 5062 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|1,0,0]=3 5063 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|1,0,0]=3 5064 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|1,0,0]=3 5065 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|1,0,0]=3 5066 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|1,0,0]=3 5067 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|1,0,0]=3 5068 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|1,0,0]=3 5069 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|1,0,0]=3 5070 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|1,0,0]=3 5071 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,0]=3 5072 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|1,0,0]=3 5073 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|2,0,0]=4 5074 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|2,0,0]=4 5075 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [1,1,0,0,0,0|2,0,0]=4 5076 B10R1.10 CCOc1ccnc(c1)Cl 34a_100000762945_100000210202 [1,1,0,0,0,0|2,0,0]=4 5077 B10R1.10 CCOc1ccnc(c1)F 34a_100000732698_100000210202 [1,1,0,0,0,0|2,0,0]=4 5078 B10R1.10 CCOc1ccnc(c1)N 34a_100011834064_100000210202 [1,1,0,0,0,0|2,0,0]=4 5079 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [1,1,0,0,0,0|2,0,0]=4 5080 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 5081 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 5082 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|2,0,0]=4 5083 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|2,0,0]=4 5084 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [1,1,0,0,0,0|2,0,0]=4 5085 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [1,1,0,0,0,0|2,0,0]=4 5086 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [1,1,0,0,0,0|2,0,0]=4 5087 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [1,1,0,0,0,0|2,0,0]=4 5088 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [1,1,0,0,0,0|2,0,0]=4 5089 B10R1.10 CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210202 [1,1,0,0,0,0|2,0,0]=4 5090 B10R1.10 CCSc1cc(ccn1)C 62a_100000210202_100000750283 [1,1,0,0,0,0|2,0,0]=4 5091 B10R1.10 CCSc1cc(ccn1)C 62a_100000750283_100000210202 [1,1,0,0,0,0|2,0,0]=4 5092 B10R1.10 CCSc1cc(ccn1)Cl 62a_100000210202_100010167805 [1,1,0,0,0,0|2,0,0]=4 5093 B10R1.10 CCSc1cc(ccn1)Cl 62a_100010167805_100000210202 [1,1,0,0,0,0|2,0,0]=4 5094 B10R1.10 CCSc1cc(ccn1)F 62a_100000210202_100000764206 [1,1,0,0,0,0|2,0,0]=4 5095 B10R1.10 CCSc1cc(ccn1)F 62a_100000764206_100000210202 [1,1,0,0,0,0|2,0,0]=4 5096 B10R1.10 CCSc1cc(ccn1)N 62a_100000210202_100009814236 [1,1,0,0,0,0|2,0,0]=4 5097 B10R1.10 CCSc1cc(ccn1)N 62a_100009814236_100000210202 [1,1,0,0,0,0|2,0,0]=4 5098 B10R1.10 CCSc1cc(ccn1)O 62a_100000210202_100000762945 [1,1,0,0,0,0|2,0,0]=4 5099 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100000210202_100009816521 [1,1,0,0,0,0|2,0,0]=4 5100 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100009816521_100000210202 [1,1,0,0,0,0|2,0,0]=4 5101 B10R1.10 CCSc1ccc[n+](c1)C 62a_100000210202_100009996589 [1,1,0,0,0,0|2,0,0]=4 5102 B10R1.10 CCSc1ccc[n+](c1)C 62a_100009996589_100000210202 [1,1,0,0,0,0|2,0,0]=4 5103 B10R1.10 CCSc1ccc[n+](c1)[O-] 62a_100000210202_100009815978 [1,1,0,0,0,0|2,0,0]=4 5104 B10R1.10 CCSc1cccc(=O)[nH]1 62a_100000210202_100000752884 [1,1,0,0,0,0|2,0,0]=4 5105 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|1,0,0]=3 5106 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|1,0,0]=3 5107 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|1,0,0]=3 5108 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|1,0,0]=3 5109 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|1,0,0]=3 5110 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|1,0,0]=3 5111 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|1,0,0]=3 5112 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|1,0,0]=3 5113 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|1,0,0]=3 5114 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|1,0,0]=3 5115 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|1,0,0]=3 5116 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|1,0,0]=3 5117 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|1,0,0]=3 5118 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|1,0,0]=3 5119 B10R1.10 CCSc1cccc(n1)Br 62a_100000210202_100000684672 [1,1,0,0,0,0|2,0,0]=4 5120 B10R1.10 CCSc1cccc(n1)Br 62a_100000684672_100000210202 [1,1,0,0,0,0|2,0,0]=4 5121 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [1,1,0,0,0,0|2,0,0]=4 5122 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [1,1,0,0,0,0|2,0,0]=4 5123 B10R1.10 CCSc1cccc(n1)Cl 62a_100000051397_100000210202 [1,1,0,0,0,0|2,0,0]=4 5124 B10R1.10 CCSc1cccc(n1)Cl 62a_100000210202_100000051397 [1,1,0,0,0,0|2,0,0]=4 5125 B10R1.10 CCSc1cccc(n1)F 62a_100000210202_100009815982 [1,1,0,0,0,0|2,0,0]=4 5126 B10R1.10 CCSc1cccc(n1)F 62a_100009815982_100000210202 [1,1,0,0,0,0|2,0,0]=4 5127 B10R1.10 CCSc1cccc(n1)N 62a_100000210202_100000740741 [1,1,0,0,0,0|2,0,0]=4 5128 B10R1.10 CCSc1cccc(n1)N 62a_100000740741_100000210202 [1,1,0,0,0,0|2,0,0]=4 5129 B10R1.10 CCSc1ccnc(c1)Br 62a_100000210202_100009814637 [1,1,0,0,0,0|2,0,0]=4 5130 B10R1.10 CCSc1ccnc(c1)Br 62a_100009814637_100000210202 [1,1,0,0,0,0|2,0,0]=4 5131 B10R1.10 CCSc1ccnc(c1)C 62a_100000210202_100000758586 [1,1,0,0,0,0|2,0,0]=4 5132 B10R1.10 CCSc1ccnc(c1)C 62a_100000758586_100000210202 [1,1,0,0,0,0|2,0,0]=4 5133 B10R1.10 CCSc1ccnc(c1)Cl 62a_100000035001_100000210202 [1,1,0,0,0,0|2,0,0]=4 5134 B10R1.10 CCSc1ccnc(c1)Cl 62a_100000210202_100000035001 [1,1,0,0,0,0|2,0,0]=4 5135 B10R1.10 CCSc1ccnc(c1)F 62a_100000210202_100009816116 [1,1,0,0,0,0|2,0,0]=4 5136 B10R1.10 CCSc1ccnc(c1)F 62a_100009816116_100000210202 [1,1,0,0,0,0|2,0,0]=4 5137 B10R1.10 CCSc1ccnc(c1)N 62a_100000049665_100000210202 [1,1,0,0,0,0|2,0,0]=4 5138 B10R1.10 CCSc1ccnc(c1)N 62a_100000210202_100000049665 [1,1,0,0,0,0|2,0,0]=4 5139 B10R1.10 CCSc1cncc(c1)Br 62a_100000210202_100000728054 [1,1,0,0,0,0|2,0,0]=4 5140 B10R1.10 CCSc1cncc(c1)Br 62a_100000728054_100000210202 [1,1,0,0,0,0|2,0,0]=4 5141 B10R1.10 CCSc1cncc(c1)C 62a_100000210202_100000760492 [1,1,0,0,0,0|2,0,0]=4 5142 B10R1.10 CCSc1cncc(c1)C 62a_100000760492_100000210202 [1,1,0,0,0,0|2,0,0]=4 5143 B10R1.10 CCSc1cncc(c1)Cl 62a_100000049639_100000210202 [1,1,0,0,0,0|2,0,0]=4 5144 B10R1.10 CCSc1cncc(c1)Cl 62a_100000210202_100000049639 [1,1,0,0,0,0|2,0,0]=4 5145 B10R1.10 CCSc1cncc(c1)F 62a_100000210202_100000744099 [1,1,0,0,0,0|2,0,0]=4 5146 B10R1.10 CCSc1cncc(c1)F 62a_100000744099_100000210202 [1,1,0,0,0,0|2,0,0]=4 5147 B10R1.10 CCSc1cncc(c1)N 62a_100000210202_100000687067 [1,1,0,0,0,0|2,0,0]=4 5148 B10R1.10 CCSc1cncc(c1)N 62a_100000687067_100000210202 [1,1,0,0,0,0|2,0,0]=4 5149 B10R1.10 CCSc1cncc(c1)O 62a_100000210202_100000754920 [1,1,0,0,0,0|2,0,0]=4 5150 B10R1.10 CCSc1cncc(c1)O 62a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 5151 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [1,1,0,0,0,0|2,0,0]=4 5152 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [1,1,0,0,0,0|2,0,0]=4 5153 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [1,1,0,0,0,0|2,0,0]=4 5154 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [1,1,0,0,0,0|2,0,0]=4 5155 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|2,0,0]=4 5156 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 5157 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|2,0,0]=4 5158 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|2,0,0]=4 5159 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 5160 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [1,1,0,0,0,0|2,0,0]=4 5161 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [1,1,0,0,0,0|2,0,0]=4 5162 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [1,1,0,0,0,0|2,0,0]=4 5163 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [1,1,0,0,0,0|2,0,0]=4 5164 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|2,0,0]=4 5165 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [1,1,0,0,0,0|2,0,0]=4 5166 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [1,1,0,0,0,0|2,0,0]=4 5167 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,0]=3 5168 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,0]=3 5169 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,0]=3 5170 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,0]=3 5171 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,0]=3 5172 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,0]=3 5173 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,0]=3 5174 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,0]=3 5175 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,0]=3 5176 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 5177 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 5178 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,0]=3 5179 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 5180 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,0]=3 5181 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 5182 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,0]=3 5183 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,0]=3 5184 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,0]=3 5185 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,0]=3 5186 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,0]=3 5187 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,0]=3 5188 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,0]=3 5189 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,0]=3 5190 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,0]=3 5191 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,0]=3 5192 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,0]=3 5193 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,0]=3 5194 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,0]=3 5195 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,0]=3 5196 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,0]=3 5197 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,0]=3 5198 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,0]=3 5199 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,0]=3 5200 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,0]=3 5201 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,0]=3 5202 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,0]=3 5203 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,0]=3 5204 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 5205 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,0]=3 5206 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,0]=3 5207 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,0]=3 5208 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 5209 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,0]=3 5210 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,0]=3 5211 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [1,1,0,0,0,0|2,0,0]=4 5212 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [1,1,0,0,0,0|2,0,0]=4 5213 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [1,1,0,0,0,0|2,0,0]=4 5214 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [1,1,0,0,0,0|2,0,0]=4 5215 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [1,1,0,0,0,0|2,0,0]=4 5216 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|2,0,0]=4 5217 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 5218 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|2,0,0]=4 5219 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|2,0,0]=4 5220 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|2,0,0]=4 5221 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 5222 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [1,1,0,0,0,0|2,0,0]=4 5223 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [1,1,0,0,0,0|2,0,0]=4 5224 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [1,1,0,0,0,0|2,0,0]=4 5225 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [1,1,0,0,0,0|2,0,0]=4 5226 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [1,1,0,0,0,0|2,0,0]=4 5227 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [1,1,0,0,0,0|2,0,0]=4 5228 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [1,1,0,0,0,0|2,0,0]=4 5229 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [1,1,0,0,0,0|2,0,0]=4 5230 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [1,1,0,0,0,0|2,0,0]=4 5231 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [1,1,0,0,0,0|2,0,0]=4 5232 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [1,1,0,0,0,0|2,0,0]=4 5233 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|2,0,0]=4 5234 B10R1.10 CNCc1ccnc(c1)Br 2230a_100025757509_200000210301 [1,1,0,0,0,0|2,0,0]=4 5235 B10R1.10 CNCc1ccnc(c1)Br 2230a_106832991635_100010243470 [1,1,0,0,0,0|2,0,0]=4 5236 B10R1.10 CNCc1ccnc(c1)Br 270004a_106832991635_100009814634 [1,1,0,0,0,0|2,0,0]=4 5237 B10R1.10 CNCc1ccnc(c1)Br 34a_100025757509_200000210301 [1,1,0,0,0,0|2,0,0]=4 5238 B10R1.10 CNCc1ccnc(c1)Br 34a_100102657272_100010243470 [1,1,0,0,0,0|2,0,0]=4 5239 B10R1.10 CNCc1ccnc(c1)Br 7a_106832991635_100010254460 [1,1,0,0,0,0|2,0,0]=4 5240 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [1,1,0,0,0,0|2,0,0]=4 5241 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 5242 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [1,1,0,0,0,0|2,0,0]=4 5243 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [1,1,0,0,0,0|2,0,0]=4 5244 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [1,1,0,0,0,0|2,0,0]=4 5245 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 5246 B10R1.10 CNCc1ccnc(c1)Cl 2230a_100015205668_200000210301 [1,1,0,0,0,0|2,0,0]=4 5247 B10R1.10 CNCc1ccnc(c1)Cl 2230a_106832991635_100000764220 [1,1,0,0,0,0|2,0,0]=4 5248 B10R1.10 CNCc1ccnc(c1)Cl 270004a_106832991635_100011290808 [1,1,0,0,0,0|2,0,0]=4 5249 B10R1.10 CNCc1ccnc(c1)Cl 34a_100015205668_200000210301 [1,1,0,0,0,0|2,0,0]=4 5250 B10R1.10 CNCc1ccnc(c1)Cl 34a_100102657272_100000764220 [1,1,0,0,0,0|2,0,0]=4 5251 B10R1.10 CNCc1ccnc(c1)Cl 7a_106832991635_100000764220 [1,1,0,0,0,0|2,0,0]=4 5252 B10R1.10 CNCc1ccnc(c1)F 2230a_100015188774_200000210301 [1,1,0,0,0,0|2,0,0]=4 5253 B10R1.10 CNCc1ccnc(c1)F 270004a_106832991635_100000068331 [1,1,0,0,0,0|2,0,0]=4 5254 B10R1.10 CNCc1ccnc(c1)F 34a_100015188774_200000210301 [1,1,0,0,0,0|2,0,0]=4 5255 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [1,1,0,0,0,0|2,0,0]=4 5256 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [1,1,0,0,0,0|2,0,0]=4 5257 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [1,1,0,0,0,0|2,0,0]=4 5258 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [1,1,0,0,0,0|2,0,0]=4 5259 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [1,1,0,0,0,0|2,0,0]=4 5260 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [1,1,0,0,0,0|2,0,0]=4 5261 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|2,0,0]=4 5262 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 5263 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 5264 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|2,0,0]=4 5265 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 5266 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|2,0,0]=4 5267 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 5268 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [1,1,0,0,0,0|2,0,0]=4 5269 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [1,1,0,0,0,0|2,0,0]=4 5270 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [1,1,0,0,0,0|2,0,0]=4 5271 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [1,1,0,0,0,0|2,0,0]=4 5272 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [1,1,0,0,0,0|2,0,0]=4 5273 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [1,1,0,0,0,0|2,0,0]=4 5274 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [1,1,0,0,0,0|2,0,0]=4 5275 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [1,1,0,0,0,0|2,0,0]=4 5276 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [1,1,0,0,0,0|2,0,0]=4 5277 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [1,1,0,0,0,0|2,0,0]=4 5278 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [1,1,0,0,0,0|2,0,0]=4 5279 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [1,1,0,0,0,0|2,0,0]=4 5280 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [1,1,0,0,0,0|2,0,0]=4 5281 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [1,1,0,0,0,0|2,0,0]=4 5282 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [1,1,0,0,0,0|2,0,0]=4 5283 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [1,1,0,0,0,0|2,0,0]=4 5284 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [1,1,0,0,0,0|2,0,0]=4 5285 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [1,1,0,0,0,0|2,0,0]=4 5286 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [1,1,0,0,0,0|2,0,0]=4 5287 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [1,1,0,0,0,0|2,0,0]=4 5288 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [1,1,0,0,0,0|2,0,0]=4 5289 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [1,1,0,0,0,0|2,0,0]=4 5290 B10R1.10 COCc1ccc[n+](c1)[O-] 34a_100000037817_200000210301 [1,1,0,0,0,0|2,0,0]=4 5291 B10R1.10 COCc1ccc[n+](c1)[O-] 7a_100000037817_200000210301 [1,1,0,0,0,0|2,0,0]=4 5292 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,0]=3 5293 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,0]=3 5294 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,0]=3 5295 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|1,0,0]=3 5296 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|1,0,0]=3 5297 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|1,0,0]=3 5298 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,0]=3 5299 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,0]=3 5300 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,0]=3 5301 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,0]=3 5302 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,0]=3 5303 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,0]=3 5304 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,0]=3 5305 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,0]=3 5306 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,0]=3 5307 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,0]=3 5308 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|1,0,0]=3 5309 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|1,0,0]=3 5310 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [1,1,0,0,0,0|2,0,0]=4 5311 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [1,1,0,0,0,0|2,0,0]=4 5312 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [1,1,0,0,0,0|2,0,0]=4 5313 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [1,1,0,0,0,0|2,0,0]=4 5314 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [1,1,0,0,0,0|2,0,0]=4 5315 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [1,1,0,0,0,0|2,0,0]=4 5316 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [1,1,0,0,0,0|2,0,0]=4 5317 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [1,1,0,0,0,0|2,0,0]=4 5318 B10R1.10 COCc1ccnc(c1)Br 34a_100009814636_200000210301 [1,1,0,0,0,0|2,0,0]=4 5319 B10R1.10 COCc1ccnc(c1)Br 34a_100138415774_100010243470 [1,1,0,0,0,0|2,0,0]=4 5320 B10R1.10 COCc1ccnc(c1)Br 7a_100009814636_200000210301 [1,1,0,0,0,0|2,0,0]=4 5321 B10R1.10 COCc1ccnc(c1)C 34a_100011998630_200000210301 [1,1,0,0,0,0|2,0,0]=4 5322 B10R1.10 COCc1ccnc(c1)C 34a_100138415774_200020672517 [1,1,0,0,0,0|2,0,0]=4 5323 B10R1.10 COCc1ccnc(c1)Cl 34a_100000748751_200000210301 [1,1,0,0,0,0|2,0,0]=4 5324 B10R1.10 COCc1ccnc(c1)Cl 34a_100138415774_100000764220 [1,1,0,0,0,0|2,0,0]=4 5325 B10R1.10 COCc1ccnc(c1)F 34a_100000082451_200000210301 [1,1,0,0,0,0|2,0,0]=4 5326 B10R1.10 COCc1cncc(c1)Br 34a_100011259137_200000210301 [1,1,0,0,0,0|2,0,0]=4 5327 B10R1.10 COCc1cncc(c1)Br 34a_100138415774_100000738771 [1,1,0,0,0,0|2,0,0]=4 5328 B10R1.10 COCc1cncc(c1)Br 7a_100011259137_200000210301 [1,1,0,0,0,0|2,0,0]=4 5329 B10R1.10 COCc1cncc(c1)C 34a_100011998709_200000210301 [1,1,0,0,0,0|2,0,0]=4 5330 B10R1.10 COCc1cncc(c1)C 34a_100138415774_100000716715 [1,1,0,0,0,0|2,0,0]=4 5331 B10R1.10 COCc1cncc(c1)C 7a_100011998709_200000210301 [1,1,0,0,0,0|2,0,0]=4 5332 B10R1.10 COCc1cncc(c1)Cl 34a_100000092867_200000210301 [1,1,0,0,0,0|2,0,0]=4 5333 B10R1.10 COCc1cncc(c1)Cl 34a_100138415774_100016992070 [1,1,0,0,0,0|2,0,0]=4 5334 B10R1.10 COCc1cncc(c1)Cl 7a_100000092867_200000210301 [1,1,0,0,0,0|2,0,0]=4 5335 B10R1.10 COCc1cncc(c1)F 34a_100011962875_200000210301 [1,1,0,0,0,0|2,0,0]=4 5336 B10R1.10 COCc1cncc(c1)F 34a_100138415774_100000725299 [1,1,0,0,0,0|2,0,0]=4 5337 B10R1.10 COCc1cncc(c1)F 7a_100011962875_200000210301 [1,1,0,0,0,0|2,0,0]=4 5338 B10R1.10 COCc1cncc(c1)N 34a_100000085308_200000210301 [1,1,0,0,0,0|2,0,0]=4 5339 B10R1.10 CSCc1cc(ccn1)Br 62a_100010173614_200000210301 [1,1,0,0,0,0|2,0,0]=4 5340 B10R1.10 CSCc1cc(ccn1)Br 62a_200000210301_100010173614 [1,1,0,0,0,0|2,0,0]=4 5341 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [1,1,0,0,0,0|2,0,0]=4 5342 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [1,1,0,0,0,0|2,0,0]=4 5343 B10R1.10 CSCc1cc(ccn1)Cl 62a_100016988179_200000210301 [1,1,0,0,0,0|2,0,0]=4 5344 B10R1.10 CSCc1cc(ccn1)Cl 62a_200000210301_100016988179 [1,1,0,0,0,0|2,0,0]=4 5345 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,0,0]=3 5346 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,0,0]=3 5347 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|1,0,0]=3 5348 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|1,0,0]=3 5349 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,0,0]=3 5350 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,0,0]=3 5351 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,0,0]=3 5352 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,0,0]=3 5353 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,0,0]=3 5354 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,0,0]=3 5355 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|1,0,0]=3 5356 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|1,0,0]=3 5357 B10R1.10 CSCc1cccc(n1)Br 62a_100009889011_200000210301 [1,1,0,0,0,0|2,0,0]=4 5358 B10R1.10 CSCc1cccc(n1)Br 62a_200000210301_100009889011 [1,1,0,0,0,0|2,0,0]=4 5359 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [1,1,0,0,0,0|2,0,0]=4 5360 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [1,1,0,0,0,0|2,0,0]=4 5361 B10R1.10 CSCc1cccc(n1)Cl 62a_100000086093_200000210301 [1,1,0,0,0,0|2,0,0]=4 5362 B10R1.10 CSCc1cccc(n1)Cl 62a_200000210301_100000086093 [1,1,0,0,0,0|2,0,0]=4 5363 B10R1.10 CSCc1cccc(n1)F 62a_100009819644_200000210301 [1,1,0,0,0,0|2,0,0]=4 5364 B10R1.10 CSCc1cccc(n1)F 62a_200000210301_100009819644 [1,1,0,0,0,0|2,0,0]=4 5365 B10R1.10 CSCc1ccnc(c1)Br 62a_100010254460_200000210301 [1,1,0,0,0,0|2,0,0]=4 5366 B10R1.10 CSCc1ccnc(c1)Br 62a_200000210301_100010243470 [1,1,0,0,0,0|2,0,0]=4 5367 B10R1.10 CSCc1ccnc(c1)C 62a_200000210301_200020672517 [1,1,0,0,0,0|2,0,0]=4 5368 B10R1.10 CSCc1ccnc(c1)C 62a_200020672517_200000210301 [1,1,0,0,0,0|2,0,0]=4 5369 B10R1.10 CSCc1ccnc(c1)Cl 62a_100000764220_200000210301 [1,1,0,0,0,0|2,0,0]=4 5370 B10R1.10 CSCc1ccnc(c1)Cl 62a_200000210301_100000764220 [1,1,0,0,0,0|2,0,0]=4 5371 B10R1.10 CSCc1cncc(c1)Br 62a_100000738771_200000210301 [1,1,0,0,0,0|2,0,0]=4 5372 B10R1.10 CSCc1cncc(c1)Br 62a_200000210301_100000738771 [1,1,0,0,0,0|2,0,0]=4 5373 B10R1.10 CSCc1cncc(c1)C 62a_100000716715_200000210301 [1,1,0,0,0,0|2,0,0]=4 5374 B10R1.10 CSCc1cncc(c1)C 62a_200000210301_100000716715 [1,1,0,0,0,0|2,0,0]=4 5375 B10R1.10 CSCc1cncc(c1)Cl 62a_100016992070_200000210301 [1,1,0,0,0,0|2,0,0]=4 5376 B10R1.10 CSCc1cncc(c1)Cl 62a_200000210301_100016992070 [1,1,0,0,0,0|2,0,0]=4 5377 B10R1.10 CSCc1cncc(c1)F 62a_100000725299_200000210301 [1,1,0,0,0,0|2,0,0]=4 5378 B10R1.10 CSCc1cncc(c1)F 62a_200000210301_100000725299 [1,1,0,0,0,0|2,0,0]=4 5379 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [1,1,0,0,0,0|2,0,0]=4 5380 B10R1.10 Cc1cc(ccn1)CO[13CH3] 34a_100011998630_200025704644 [1,1,0,0,0,0|2,0,0]=4 5381 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200020672517_200025704644 [1,1,0,0,0,0|2,0,0]=4 5382 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200025704644_200020672517 [1,1,0,0,0,0|2,0,0]=4 5383 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 5384 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 5385 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|1,0,0]=3 5386 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|1,0,0]=3 5387 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|1,0,0]=3 5388 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|1,0,0]=3 5389 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|2,0,0]=4 5390 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|2,0,0]=4 5391 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|2,0,0]=4 5392 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [1,1,0,0,0,0|2,0,0]=4 5393 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [1,1,0,0,0,0|2,0,0]=4 5394 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|2,0,0]=4 5395 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [1,1,0,0,0,0|2,0,0]=4 5396 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [1,1,0,0,0,0|2,0,0]=4 5397 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [1,1,0,0,0,0|2,0,0]=4 5398 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [1,1,0,0,0,0|2,0,0]=4 5399 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [1,1,0,0,0,0|2,0,0]=4 5400 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [1,1,0,0,0,0|2,0,0]=4 5401 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 5402 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 5403 B10R1.10 Cc1cncc(c1)CO[13CH3] 34a_100011998709_200025704644 [1,1,0,0,0,0|2,0,0]=4 5404 B10R1.10 Cc1cncc(c1)CO[13CH3] 7a_100011998709_200025704644 [1,1,0,0,0,0|2,0,0]=4 5405 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_100000716715_200025704644 [1,1,0,0,0,0|2,0,0]=4 5406 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_200025704644_100000716715 [1,1,0,0,0,0|2,0,0]=4 5407 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 5408 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|2,0,0]=4 5409 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|2,0,0]=4 5410 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|2,0,0]=4 5411 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|2,0,0]=4 5412 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|2,0,0]=4 5413 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|2,0,0]=4 5414 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|2,0,0]=4 5415 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|2,0,0]=4 5416 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|2,0,0]=4 5417 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|2,0,0]=4 5418 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|2,0,0]=4 5419 B10R1.10 FCSc1cccc(c1)Br 62a_100000691529_100015361967 [1,1,0,0,0,0|2,0,0]=4 5420 B10R1.10 FCSc1cccc(c1)Br 62a_100015361967_100000691529 [1,1,0,0,0,0|2,0,0]=4 5421 B10R1.10 FCSc1cccc(c1)Cl 62a_100000699651_100015361967 [1,1,0,0,0,0|2,0,0]=4 5422 B10R1.10 FCSc1cccc(c1)Cl 62a_100015361967_100000699651 [1,1,0,0,0,0|2,0,0]=4 5423 B10R1.10 FCSc1cccc(c1)F 62a_100000685547_100015361967 [1,1,0,0,0,0|2,0,0]=4 5424 B10R1.10 FCSc1cccc(c1)F 62a_100015361967_100000685547 [1,1,0,0,0,0|2,0,0]=4 5425 B10R1.10 FCSc1cccc(c1)[S] 62a_100015361967_114929384022 [1,1,0,0,0,0|2,0,0]=4 5426 B10R1.10 FCSc1cccc(c1)[S] 62a_114929384022_100015361967 [1,1,0,0,0,0|2,0,0]=4 5427 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 5428 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,0]=3 5429 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 5430 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 5431 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 5432 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|2,0,0]=4 5433 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,2]=4 5434 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,0]=2 5435 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|1,0,0]=3 5436 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 5437 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|2,0,0]=4 5438 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [1,1,0,0,0,0|2,0,0]=4 5439 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,0]=3 5440 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,0]=3 5441 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,0]=3 5442 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,0]=3 5443 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,0]=3 5444 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,0]=3 5445 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,0]=3 5446 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,0]=3 5447 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 5448 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 5449 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [1,1,0,0,0,0|2,0,0]=4 5450 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [1,1,0,0,0,0|2,0,0]=4 5451 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [1,1,0,0,0,0|2,0,0]=4 5452 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [1,1,0,0,0,0|2,0,0]=4 5453 B10R1.10 [13CH3]NCc1ccnc(c1)Br 2230a_100025757509_200025704644 [1,1,0,0,0,0|2,0,0]=4 5454 B10R1.10 [13CH3]NCc1ccnc(c1)Br 34a_100025757509_200025704644 [1,1,0,0,0,0|2,0,0]=4 5455 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 2230a_100015205668_200025704644 [1,1,0,0,0,0|2,0,0]=4 5456 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 34a_100015205668_200025704644 [1,1,0,0,0,0|2,0,0]=4 5457 B10R1.10 [13CH3]NCc1ccnc(c1)F 2230a_100015188774_200025704644 [1,1,0,0,0,0|2,0,0]=4 5458 B10R1.10 [13CH3]NCc1ccnc(c1)F 34a_100015188774_200025704644 [1,1,0,0,0,0|2,0,0]=4 5459 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [1,1,0,0,0,0|2,0,0]=4 5460 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [1,1,0,0,0,0|2,0,0]=4 5461 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [1,1,0,0,0,0|2,0,0]=4 5462 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [1,1,0,0,0,0|2,0,0]=4 5463 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [1,1,0,0,0,0|2,0,0]=4 5464 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 34a_100000037817_200025704644 [1,1,0,0,0,0|2,0,0]=4 5465 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 7a_100000037817_200025704644 [1,1,0,0,0,0|2,0,0]=4 5466 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,0]=3 5467 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,0]=3 5468 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,0]=3 5469 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,0]=3 5470 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,0]=3 5471 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,0]=3 5472 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,0]=3 5473 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,0]=3 5474 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,0]=3 5475 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [1,1,0,0,0,0|2,0,0]=4 5476 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [1,1,0,0,0,0|2,0,0]=4 5477 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [1,1,0,0,0,0|2,0,0]=4 5478 B10R1.10 [13CH3]OCc1ccnc(c1)Br 34a_100009814636_200025704644 [1,1,0,0,0,0|2,0,0]=4 5479 B10R1.10 [13CH3]OCc1ccnc(c1)Br 7a_100009814636_200025704644 [1,1,0,0,0,0|2,0,0]=4 5480 B10R1.10 [13CH3]OCc1ccnc(c1)Cl 34a_100000748751_200025704644 [1,1,0,0,0,0|2,0,0]=4 5481 B10R1.10 [13CH3]OCc1ccnc(c1)F 34a_100000082451_200025704644 [1,1,0,0,0,0|2,0,0]=4 5482 B10R1.10 [13CH3]OCc1cncc(c1)Br 34a_100011259137_200025704644 [1,1,0,0,0,0|2,0,0]=4 5483 B10R1.10 [13CH3]OCc1cncc(c1)Br 7a_100011259137_200025704644 [1,1,0,0,0,0|2,0,0]=4 5484 B10R1.10 [13CH3]OCc1cncc(c1)Cl 34a_100000092867_200025704644 [1,1,0,0,0,0|2,0,0]=4 5485 B10R1.10 [13CH3]OCc1cncc(c1)Cl 7a_100000092867_200025704644 [1,1,0,0,0,0|2,0,0]=4 5486 B10R1.10 [13CH3]OCc1cncc(c1)F 34a_100011962875_200025704644 [1,1,0,0,0,0|2,0,0]=4 5487 B10R1.10 [13CH3]OCc1cncc(c1)F 7a_100011962875_200025704644 [1,1,0,0,0,0|2,0,0]=4 5488 B10R1.10 [13CH3]OCc1cncc(c1)N 34a_100000085308_200025704644 [1,1,0,0,0,0|2,0,0]=4 5489 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_100010173614_200025704644 [1,1,0,0,0,0|2,0,0]=4 5490 B10R1.10 [13CH3]SCc1cc(ccn1)Br 62a_200025704644_100010173614 [1,1,0,0,0,0|2,0,0]=4 5491 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_100016988179_200025704644 [1,1,0,0,0,0|2,0,0]=4 5492 B10R1.10 [13CH3]SCc1cc(ccn1)Cl 62a_200025704644_100016988179 [1,1,0,0,0,0|2,0,0]=4 5493 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,0,0]=3 5494 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,0,0]=3 5495 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,0,0]=3 5496 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,0,0]=3 5497 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,0,0]=3 5498 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,0,0]=3 5499 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,0,0]=3 5500 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,0,0]=3 5501 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|1,0,0]=3 5502 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|1,0,0]=3 5503 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_100009889011_200025704644 [1,1,0,0,0,0|2,0,0]=4 5504 B10R1.10 [13CH3]SCc1cccc(n1)Br 62a_200025704644_100009889011 [1,1,0,0,0,0|2,0,0]=4 5505 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_100000086093_200025704644 [1,1,0,0,0,0|2,0,0]=4 5506 B10R1.10 [13CH3]SCc1cccc(n1)Cl 62a_200025704644_100000086093 [1,1,0,0,0,0|2,0,0]=4 5507 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_100009819644_200025704644 [1,1,0,0,0,0|2,0,0]=4 5508 B10R1.10 [13CH3]SCc1cccc(n1)F 62a_200025704644_100009819644 [1,1,0,0,0,0|2,0,0]=4 5509 B10R1.10 [13CH3]SCc1ccnc(c1)Br 62a_100010254460_200025704644 [1,1,0,0,0,0|2,0,0]=4 5510 B10R1.10 [13CH3]SCc1ccnc(c1)Br 62a_200025704644_100010243470 [1,1,0,0,0,0|2,0,0]=4 5511 B10R1.10 [13CH3]SCc1ccnc(c1)Cl 62a_100000764220_200025704644 [1,1,0,0,0,0|2,0,0]=4 5512 B10R1.10 [13CH3]SCc1ccnc(c1)Cl 62a_200025704644_100000764220 [1,1,0,0,0,0|2,0,0]=4 5513 B10R1.10 [13CH3]SCc1cncc(c1)Br 62a_100000738771_200025704644 [1,1,0,0,0,0|2,0,0]=4 5514 B10R1.10 [13CH3]SCc1cncc(c1)Br 62a_200025704644_100000738771 [1,1,0,0,0,0|2,0,0]=4 5515 B10R1.10 [13CH3]SCc1cncc(c1)Cl 62a_100016992070_200025704644 [1,1,0,0,0,0|2,0,0]=4 5516 B10R1.10 [13CH3]SCc1cncc(c1)Cl 62a_200025704644_100016992070 [1,1,0,0,0,0|2,0,0]=4 5517 B10R1.10 [13CH3]SCc1cncc(c1)F 62a_100000725299_200025704644 [1,1,0,0,0,0|2,0,0]=4 5518 B10R1.10 [13CH3]SCc1cncc(c1)F 62a_200025704644_100000725299 [1,1,0,0,0,0|2,0,0]=4 5519 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,1,0,0,0,0|2,0,0]=4 5520 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,1,0,0,0,0|2,0,0]=4 5521 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,1,0,0,0,0|2,0,0]=4 5522 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|1,0,0]=3 5523 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|1,0,0]=3 5524 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|0,0,1]=3 5525 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|1,0,0]=3 5526 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 5527 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|1,0,0]=3 5528 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 5529 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|1,0,0]=3 5530 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 5531 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 5532 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 5533 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 5534 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 5535 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 5536 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,1]=4 5537 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 5538 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 5539 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 5540 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,0]=3 5541 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,0]=3 5542 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,0]=3 5543 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,0]=3 5544 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,1,0,0,0,0|2,0,0]=4 5545 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,1,0,0,0,0|2,0,0]=4 5546 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,1,0,0,0,0|2,0,0]=4 5547 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,1,0,0,0,0|2,0,0]=4 5548 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,1,0,0,0,0|2,0,0]=4 5549 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,1,0,0,0,0|2,0,0]=4 5550 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,0]=3 5551 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|1,0,0]=3 5552 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|1,0,0]=3 5553 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|1,0,0]=3 5554 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|1,0,0]=3 5555 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|1,0,0]=3 5556 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,0]=3 5557 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|1,0,0]=3 5558 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|1,0,0]=3 5559 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,1]=4 5560 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|0,0,2]=4 5561 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,1]=4 5562 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,1]=3 5563 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,1]=4 5564 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,1]=4 5565 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,1]=4 5566 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,1]=4 5567 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,1]=4 5568 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 5569 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,1]=4 5570 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,1]=4 5571 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,1]=4 5572 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|1,0,0]=3 5573 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|1,0,0]=3 5574 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|1,0,0]=3 5575 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,1,0,0,0,0|2,0,0]=4 5576 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,1,0,0,0,0|2,0,0]=4 5577 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,1,0,0,0,0|2,0,0]=4 5578 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|1,0,0]=3 5579 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|1,0,0]=3 5580 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [1,1,0,0,0,0|2,0,0]=4 5581 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [1,1,0,0,0,0|2,0,0]=4 5582 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [1,1,0,0,0,0|2,0,0]=4 5583 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [1,1,0,0,0,0|2,0,0]=4 5584 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [1,1,0,0,0,0|2,0,0]=4 5585 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [1,1,0,0,0,0|2,0,0]=4 5586 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,0]=3 5587 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,0]=3 5588 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,0]=3 5589 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,0]=3 5590 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,0]=3 5591 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,1,0,0,0,0|2,0,0]=4 5592 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,1,0,0,0,0|2,0,0]=4 5593 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,1,0,0,0,0|2,0,0]=4 5594 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,1,0,0,0,0|2,0,0]=4 5595 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,1,0,0,0,0|2,0,0]=4 5596 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,1,0,0,0,0|2,0,0]=4 5597 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,1,0,0,0,0|2,0,0]=4 5598 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,1,0,0,0,0|2,0,0]=4 5599 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,1,0,0,0,0|2,0,0]=4 5600 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,1,0,0,0,0|2,0,0]=4 5601 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,1,0,0,0,0|2,0,0]=4 5602 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,1,0,0,0,0|2,0,0]=4 5603 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,1,0,0,0,0|2,0,0]=4 5604 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,1,0,0,0,0|2,0,0]=4 5605 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,0]=3 5606 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,0]=3 5607 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,1,0,0,0,0|2,0,0]=4 5608 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,1,0,0,0,0|2,0,0]=4 5609 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,1,0,0,0,0|2,0,0]=4 5610 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,1,0,0,0,0|2,0,0]=4 5611 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,1,0,0,0,0|2,0,0]=4 5612 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,1,0,0,0,0|2,0,0]=4 5613 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,1]=4 5614 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,1]=4 5615 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,1]=4 5616 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,1,0,0,1,0|2,0,0]=4 5617 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,1,0,0,1,0|2,0,0]=4 5618 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,1,0,0,1,0|2,0,0]=4 5619 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [0,1,0,0,1,0|2,0,0]=4 5620 B10R1.16 Cc1cc(cs1)SCCO 62a_100000211926_100000759034 [0,1,0,0,1,0|2,0,0]=4 5621 B10R1.16 Cc1cc(cs1)SCCO 62a_100000759034_100000211926 [0,1,0,0,1,0|2,0,0]=4 5622 B10R1.16 Cc1ccc(s1)SCCO 62a_100000031368_100000211926 [0,1,0,0,1,0|2,0,0]=4 5623 B10R1.16 Cc1ccc(s1)SCCO 62a_100000211926_100000031368 [0,1,0,0,1,0|2,0,0]=4 5624 B10R1.16 Cc1csc(c1)SCCO 62a_100000211926_100009876951 [0,1,0,0,1,0|2,0,0]=4 5625 B10R1.16 Cc1csc(c1)SCCO 62a_100009876951_100000211926 [0,1,0,0,1,0|2,0,0]=4 5626 B10R1.16 OCCCn1cc(cn1)O 271570a_203496583355_100011398341 [0,1,0,0,1,0|2,0,0]=4 5627 B10R1.16 OCCSc1ccc(s1)Br 62a_100000211926_100010197418 [0,1,0,0,1,0|2,0,0]=4 5628 B10R1.16 OCCSc1ccc(s1)Br 62a_100010197418_100000211926 [0,1,0,0,1,0|2,0,0]=4 5629 B10R1.21 BrCCOCc1ccsc1 34a_100000211926_100011261437 [0,1,0,0,1,0|2,0,0]=4 5630 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [0,1,0,0,1,0|2,0,0]=4 5631 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [0,1,0,0,1,0|2,0,0]=4 5632 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,0,1,0|2,0,0]=4 5633 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,0,1,0|2,0,0]=4 5634 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [0,1,0,0,1,0|2,0,0]=4 5635 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [0,1,0,0,1,0|2,0,0]=4 5636 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,0,1,0|2,0,0]=4 5637 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,0,1,0|2,0,0]=4 5638 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [0,1,0,0,1,0|2,0,0]=4 5639 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [0,1,0,0,1,0|2,0,0]=4 5640 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,0,1,0|2,0,0]=4 5641 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,0,1,0|2,0,0]=4 5642 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,0,1,0|2,0,0]=4 5643 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,0,1,0|2,0,0]=4 5644 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [0,1,0,0,1,0|2,0,0]=4 5645 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [0,1,0,0,1,0|2,0,0]=4 5646 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [0,1,0,0,1,0|2,0,0]=4 5647 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,0,1,0|2,0,0]=4 5648 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,0,1,0|2,0,0]=4 5649 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,0,1,0|2,0,0]=4 5650 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,0,1,0|2,0,0]=4 5651 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [0,1,0,0,1,0|2,0,0]=4 5652 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [0,1,0,0,1,0|2,0,0]=4 5653 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [0,1,0,0,1,0|2,0,0]=4 5654 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [0,1,0,0,1,0|2,0,0]=4 5655 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,0,1,0|2,0,0]=4 5656 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [0,1,0,0,1,0|2,0,0]=4 5657 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,0,1,0|2,0,0]=4 5658 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [0,1,0,0,1,0|2,0,0]=4 5659 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [0,1,0,0,1,0|2,0,0]=4 5660 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [0,1,0,0,1,0|2,0,0]=4 5661 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [0,1,0,0,1,0|2,0,0]=4 5662 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,0,1,0|2,0,0]=4 5663 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,0,1,0|2,0,0]=4 5664 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,1,0,0,1,0|2,0,0]=4 5665 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,1,0,0,1,0|2,0,0]=4 5666 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,1,0,0,1,0|2,0,0]=4 5667 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,1,0,0,1,0|2,0,0]=4 5668 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,1,0,0,1,0|2,0,0]=4 5669 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,1,0,0,1,0|2,0,0]=4 5670 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,1,0,0,1,0|2,0,0]=4 5671 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [0,1,0,0,1,0|2,0,0]=4 5672 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [0,1,0,0,1,0|2,0,0]=4 5673 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [0,1,0,0,1,0|2,0,0]=4 5674 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [0,1,0,0,1,0|2,0,0]=4 5675 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [0,1,0,0,1,0|2,0,0]=4 5676 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [0,1,0,0,1,0|2,0,0]=4 5677 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [0,1,0,0,1,0|2,0,0]=4 5678 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [0,1,0,0,1,0|2,0,0]=4 5679 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [0,1,0,0,1,0|2,0,0]=4 5680 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,1,0,0,1,0|2,0,0]=4 5681 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,1,0,0,1,0|2,0,0]=4 5682 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,1,0,0,1,0|2,0,0]=4 5683 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,1,0,0,1,0|2,0,0]=4 5684 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,1,0,0,1,0|2,0,0]=4 5685 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,1,0,0,1,0|2,0,0]=4 5686 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [0,1,0,0,1,0|1,0,0]=3 5687 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [0,1,0,0,1,0|1,0,0]=3 5688 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [0,1,0,0,1,0|1,0,0]=3 5689 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [0,1,0,0,1,0|1,0,0]=3 5690 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [0,1,0,0,1,0|1,0,0]=3 5691 B10R1.21 COCCCc1cnoc1 34a_100011738005_200000210301 [0,1,0,0,1,0|2,0,0]=4 5692 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [0,1,0,0,1,0|1,0,0]=3 5693 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [0,1,0,0,1,0|1,0,0]=3 5694 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [0,1,0,0,1,0|1,0,0]=3 5695 B10R1.21 COCCCn1cccn1 34a_100000753614_200000210301 [0,1,0,0,1,0|2,0,0]=4 5696 B10R1.21 COCCCn1ccnc1 34a_100000240236_200000210301 [0,1,0,0,1,0|2,0,0]=4 5697 B10R1.21 COCCCn1ccnc1 34a_100138415774_100000756272 [0,1,0,0,1,0|2,0,0]=4 5698 B10R1.21 COCCOc1ccsc1 34a_100000106738_100011201679 [0,1,0,0,1,0|2,0,0]=4 5699 B10R1.21 COCCOc1ccsc1 7a_100000106738_100000233755 [0,1,0,0,1,0|2,0,0]=4 5700 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [0,1,0,0,1,0|2,0,0]=4 5701 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [0,1,0,0,1,0|2,0,0]=4 5702 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [0,1,0,0,1,0|2,0,0]=4 5703 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [0,1,0,0,1,0|2,0,0]=4 5704 B10R1.21 COCCSc1ccoc1 62a_100000233755_100011215275 [0,1,0,0,1,0|2,0,0]=4 5705 B10R1.21 COCCSc1ccoc1 62a_100011215275_100000233755 [0,1,0,0,1,0|2,0,0]=4 5706 B10R1.21 COCCSc1ccsc1 62a_100000233755_100000738268 [0,1,0,0,1,0|2,0,0]=4 5707 B10R1.21 COCCSc1ccsc1 62a_100000738268_100000233755 [0,1,0,0,1,0|2,0,0]=4 5708 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [0,1,0,0,1,0|2,0,0]=4 5709 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [0,1,0,0,1,0|2,0,0]=4 5710 B10R1.21 COCNCc1ccoc1 2230a_100015206860_100000766300 [0,1,0,0,1,0|2,0,0]=4 5711 B10R1.21 COCNCc1ccsc1 2230a_100000186416_100000766300 [0,1,0,0,1,0|2,0,0]=4 5712 B10R1.21 COCSCc1ccsc1 62a_100000766300_100011233845 [0,1,0,0,1,0|2,0,0]=4 5713 B10R1.21 COCSCc1ccsc1 62a_100011261437_100000766300 [0,1,0,0,1,0|2,0,0]=4 5714 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [0,1,0,0,1,0|1,1,0]=4 5715 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [0,1,0,0,1,0|1,1,0]=4 5716 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [0,1,0,0,1,0|1,1,0]=4 5717 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [0,1,0,0,1,0|1,1,0]=4 5718 B10R1.21 FCCCOc1ccsc1 34a_100000106738_100011934791 [0,1,0,0,1,0|2,0,0]=4 5719 B10R1.21 FCCCOc1ccsc1 7a_100000106738_100011934791 [0,1,0,0,1,0|2,0,0]=4 5720 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [0,1,0,0,1,0|2,0,0]=4 5721 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [0,1,0,0,1,0|2,0,0]=4 5722 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [0,1,0,0,1,0|2,0,0]=4 5723 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [0,1,0,0,1,0|2,0,0]=4 5724 B10R1.21 FCCCSc1ccoc1 62a_100011215275_100011934791 [0,1,0,0,1,0|2,0,0]=4 5725 B10R1.21 FCCCSc1ccoc1 62a_100011934791_100011215275 [0,1,0,0,1,0|2,0,0]=4 5726 B10R1.21 FCCCSc1ccsc1 62a_100000738268_100011934791 [0,1,0,0,1,0|2,0,0]=4 5727 B10R1.21 FCCCSc1ccsc1 62a_100011934791_100000738268 [0,1,0,0,1,0|2,0,0]=4 5728 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [0,1,0,0,1,0|2,0,0]=4 5729 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [0,1,0,0,1,0|2,0,0]=4 5730 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [0,1,0,0,1,0|2,0,0]=4 5731 B10R1.21 FCCNCc1ccoc1 2230a_100015206860_100011217306 [0,1,0,0,1,0|2,0,0]=4 5732 B10R1.21 FCCNCc1ccoc1 34a_100015206860_100011217306 [0,1,0,0,1,0|2,0,0]=4 5733 B10R1.21 FCCNCc1ccsc1 2230a_100000186416_100011217306 [0,1,0,0,1,0|2,0,0]=4 5734 B10R1.21 FCCNCc1ccsc1 34a_100000186416_100011217306 [0,1,0,0,1,0|2,0,0]=4 5735 B10R1.21 FCCNCc1ccsc1 34a_100000724931_100011261437 [0,1,0,0,1,0|2,0,0]=4 5736 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [0,1,0,0,1,0|2,0,0]=4 5737 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [0,1,0,0,1,0|2,0,0]=4 5738 B10R1.21 FCCOCc1ccoc1 34a_100011215357_100011217306 [0,1,0,0,1,0|2,0,0]=4 5739 B10R1.21 FCCOCc1ccsc1 34a_100011215551_100011217306 [0,1,0,0,1,0|2,0,0]=4 5740 B10R1.21 FCCSCc1ccsc1 62a_100011217306_100011233845 [0,1,0,0,1,0|2,0,0]=4 5741 B10R1.21 FCCSCc1ccsc1 62a_100011261437_100011217306 [0,1,0,0,1,0|2,0,0]=4 5742 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,1,0,0,1,0|2,0,0]=4 5743 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,1,0,0,1,0|2,0,0]=4 5744 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,1,0,0,1,0|2,0,0]=4 5745 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,1,0,0,1,0|2,0,0]=4 5746 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [0,1,0,0,1,0|2,0,0]=4 5747 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [0,1,0,0,1,0|2,0,0]=4 5748 B10R1.21 FCOCCc1ccsc1 34a_100000748821_100015361967 [0,1,0,0,1,0|2,0,0]=4 5749 B10R1.21 FCOCCn1cccc1 34a_100000179382_100015361967 [0,1,0,0,1,0|2,0,0]=4 5750 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [0,1,0,0,1,0|2,0,0]=4 5751 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [0,1,0,0,1,0|2,0,0]=4 5752 B10R1.21 FCSCCn1cccc1 62a_100015361967_200000035178 [0,1,0,0,1,0|2,0,0]=4 5753 B10R1.21 FCSCCn1cccc1 62a_200009811947_100015361967 [0,1,0,0,1,0|2,0,0]=4 5754 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,1,0,0,1,0|2,0,0]=4 5755 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [0,1,0,0,1,0|1,0,0]=3 5756 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [0,1,0,0,1,0|1,0,0]=3 5757 B10R1.21 OCCCSc1c[nH]cn1 62a_100000756875_100011215043 [0,1,0,0,1,0|2,0,0]=4 5758 B10R1.21 OCCCSc1c[nH]cn1 62a_100011215043_100000756875 [0,1,0,0,1,0|2,0,0]=4 5759 B10R1.21 OCCCSc1cc[nH]n1 62a_100000062575_100011215043 [0,1,0,0,1,0|2,0,0]=4 5760 B10R1.21 OCCCSc1cc[nH]n1 62a_100011215043_100000062575 [0,1,0,0,1,0|2,0,0]=4 5761 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [0,1,0,0,1,0|1,0,0]=3 5762 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [0,1,0,0,1,0|1,0,0]=3 5763 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [0,1,0,0,1,0|1,0,0]=3 5764 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [0,1,0,0,1,0|1,0,0]=3 5765 B10R1.21 OCCCSc1ccoc1 62a_100011215043_100011215275 [0,1,0,0,1,0|1,0,0]=3 5766 B10R1.21 OCCCSc1ccoc1 62a_100011215275_100011215043 [0,1,0,0,1,0|1,0,0]=3 5767 B10R1.21 OCCCSc1ccon1 62a_100009818083_100011215043 [0,1,0,0,1,0|2,0,0]=4 5768 B10R1.21 OCCCSc1ccon1 62a_100011215043_100009818083 [0,1,0,0,1,0|2,0,0]=4 5769 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [0,1,0,0,1,0|1,0,0]=3 5770 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [0,1,0,0,1,0|1,0,0]=3 5771 B10R1.21 OCCCSc1ccsn1 62a_100009818082_100011215043 [0,1,0,0,1,0|2,0,0]=4 5772 B10R1.21 OCCCSc1ccsn1 62a_100011215043_100009818082 [0,1,0,0,1,0|2,0,0]=4 5773 B10R1.21 OCCCSc1cn[nH]c1 62a_100000238712_100011215043 [0,1,0,0,1,0|2,0,0]=4 5774 B10R1.21 OCCCSc1cn[nH]c1 62a_100011215043_100000238712 [0,1,0,0,1,0|2,0,0]=4 5775 B10R1.21 OCCCSc1cnco1 62a_100011215043_100020591547 [0,1,0,0,1,0|2,0,0]=4 5776 B10R1.21 OCCCSc1cnco1 62a_100020591547_100011215043 [0,1,0,0,1,0|2,0,0]=4 5777 B10R1.21 OCCCSc1cncs1 62a_100011215043_100011934649 [0,1,0,0,1,0|2,0,0]=4 5778 B10R1.21 OCCCSc1cncs1 62a_100011934649_100011215043 [0,1,0,0,1,0|2,0,0]=4 5779 B10R1.21 OCCCSc1cnoc1 62a_100009815712_100011215043 [0,1,0,0,1,0|2,0,0]=4 5780 B10R1.21 OCCCSc1cnoc1 62a_100011215043_100009815712 [0,1,0,0,1,0|2,0,0]=4 5781 B10R1.21 OCCCSc1cnsc1 62a_100009815736_100011215043 [0,1,0,0,1,0|2,0,0]=4 5782 B10R1.21 OCCCSc1cnsc1 62a_100011215043_100009815736 [0,1,0,0,1,0|2,0,0]=4 5783 B10R1.21 OCCCSc1cscn1 62a_100000751502_100011215043 [0,1,0,0,1,0|2,0,0]=4 5784 B10R1.21 OCCCSc1cscn1 62a_100011215043_100000751502 [0,1,0,0,1,0|2,0,0]=4 5785 B10R1.21 OCCCSc1ncc[nH]1 62a_100011215043_100025796157 [0,1,0,0,1,0|2,0,0]=4 5786 B10R1.21 OCCCSc1ncc[nH]1 62a_100025796157_100011215043 [0,1,0,0,1,0|2,0,0]=4 5787 B10R1.21 OCCCSc1ncco1 62a_100011215043_100011787736 [0,1,0,0,1,0|2,0,0]=4 5788 B10R1.21 OCCCSc1ncco1 62a_100011787736_100011215043 [0,1,0,0,1,0|2,0,0]=4 5789 B10R1.21 OCCCSc1nccs1 62a_100000211983_100011215043 [0,1,0,0,1,0|2,0,0]=4 5790 B10R1.21 OCCCSc1nccs1 62a_100011215043_100000211983 [0,1,0,0,1,0|2,0,0]=4 5791 B10R1.21 OCCNCc1c[nH]cn1 2230a_100016997473_100000707719 [0,1,0,0,1,0|2,0,0]=4 5792 B10R1.21 OCCNCc1c[nH]cn1 34a_100016990907_100000707719 [0,1,0,0,1,0|2,0,0]=4 5793 B10R1.21 OCCNCc1cc[nH]n1 207a_100000210304_100000738523 [0,1,0,0,1,0|2,0,0]=4 5794 B10R1.21 OCCNCc1cc[nH]n1 270004a_100000210304_100000738523 [0,1,0,0,1,0|2,0,0]=4 5795 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [0,1,0,0,1,0|1,0,0]=3 5796 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [0,1,0,0,1,0|1,0,0]=3 5797 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [0,1,0,0,1,0|1,0,0]=3 5798 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [0,1,0,0,1,0|1,0,0]=3 5799 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [0,1,0,0,1,0|1,0,0]=3 5800 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [0,1,0,0,1,0|1,0,0]=3 5801 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [0,1,0,0,1,0|1,0,0]=3 5802 B10R1.21 OCCNCc1ccn[nH]1 2230a_100016997473_100000728653 [0,1,0,0,1,0|2,0,0]=4 5803 B10R1.21 OCCNCc1ccn[nH]1 34a_100016990907_100000728653 [0,1,0,0,1,0|2,0,0]=4 5804 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [0,1,0,0,1,0|1,0,0]=3 5805 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [0,1,0,0,1,0|1,0,0]=3 5806 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [0,1,0,0,1,0|1,0,0]=3 5807 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [0,1,0,0,1,0|1,0,0]=3 5808 B10R1.21 OCCNCc1ccon1 2230a_100016997473_100000234950 [0,1,0,0,1,0|2,0,0]=4 5809 B10R1.21 OCCNCc1ccon1 34a_100016990907_100000234950 [0,1,0,0,1,0|2,0,0]=4 5810 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [0,1,0,0,1,0|1,0,0]=3 5811 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [0,1,0,0,1,0|1,0,0]=3 5812 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [0,1,0,0,1,0|1,0,0]=3 5813 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [0,1,0,0,1,0|1,0,0]=3 5814 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [0,1,0,0,1,0|1,0,0]=3 5815 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [0,1,0,0,1,0|1,0,0]=3 5816 B10R1.21 OCCNCc1cn[nH]c1 207a_100000210304_100016992096 [0,1,0,0,1,0|2,0,0]=4 5817 B10R1.21 OCCNCc1cn[nH]c1 270004a_100000210304_100016992096 [0,1,0,0,1,0|2,0,0]=4 5818 B10R1.21 OCCNCc1cnc[nH]1 207a_100000210304_100000742939 [0,1,0,0,1,0|2,0,0]=4 5819 B10R1.21 OCCNCc1cnco1 270004a_100000210304_100000064291 [0,1,0,0,1,0|2,0,0]=4 5820 B10R1.21 OCCNCc1cncs1 207a_100000210304_100000749870 [0,1,0,0,1,0|2,0,0]=4 5821 B10R1.21 OCCNCc1cncs1 2230a_100016987365_100000211926 [0,1,0,0,1,0|2,0,0]=4 5822 B10R1.21 OCCNCc1cncs1 2230a_100016997473_100015185245 [0,1,0,0,1,0|2,0,0]=4 5823 B10R1.21 OCCNCc1cncs1 270004a_100000210304_100000749870 [0,1,0,0,1,0|2,0,0]=4 5824 B10R1.21 OCCNCc1cncs1 34a_100016990907_100015185245 [0,1,0,0,1,0|2,0,0]=4 5825 B10R1.21 OCCNCc1cocn1 270004a_100000210304_100000050382 [0,1,0,0,1,0|2,0,0]=4 5826 B10R1.21 OCCNCc1cscn1 207a_100000210304_100000743575 [0,1,0,0,1,0|2,0,0]=4 5827 B10R1.21 OCCNCc1cscn1 2230a_100015185402_100000211926 [0,1,0,0,1,0|2,0,0]=4 5828 B10R1.21 OCCNCc1cscn1 2230a_100016997473_100000205941 [0,1,0,0,1,0|2,0,0]=4 5829 B10R1.21 OCCNCc1cscn1 270004a_100000210304_100000743575 [0,1,0,0,1,0|2,0,0]=4 5830 B10R1.21 OCCNCc1cscn1 34a_100016990907_100000205941 [0,1,0,0,1,0|2,0,0]=4 5831 B10R1.21 OCCNCc1ncc[nH]1 207a_100000210304_100000743867 [0,1,0,0,1,0|2,0,0]=4 5832 B10R1.21 OCCNCc1ncc[nH]1 2230a_100016997473_100016991755 [0,1,0,0,1,0|2,0,0]=4 5833 B10R1.21 OCCNCc1ncc[nH]1 34a_100016990907_100016991755 [0,1,0,0,1,0|2,0,0]=4 5834 B10R1.21 OCCNCc1ncco1 2230a_100016994969_100000211926 [0,1,0,0,1,0|2,0,0]=4 5835 B10R1.21 OCCNCc1ncco1 2230a_100016997473_103436540062 [0,1,0,0,1,0|2,0,0]=4 5836 B10R1.21 OCCNCc1ncco1 270004a_100000210304_100000064290 [0,1,0,0,1,0|2,0,0]=4 5837 B10R1.21 OCCNCc1ncco1 34a_100016990907_103436540062 [0,1,0,0,1,0|2,0,0]=4 5838 B10R1.21 OCCNCc1nccs1 207a_100000210304_100000750902 [0,1,0,0,1,0|2,0,0]=4 5839 B10R1.21 OCCNCc1nccs1 2230a_100000740555_100000211926 [0,1,0,0,1,0|2,0,0]=4 5840 B10R1.21 OCCNCc1nccs1 2230a_100016997473_100015184050 [0,1,0,0,1,0|2,0,0]=4 5841 B10R1.21 OCCNCc1nccs1 270004a_100000210304_100000750902 [0,1,0,0,1,0|2,0,0]=4 5842 B10R1.21 OCCNCc1nccs1 34a_100016990907_100015184050 [0,1,0,0,1,0|2,0,0]=4 5843 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [0,1,0,0,1,0|1,0,0]=3 5844 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [0,1,0,0,1,0|1,0,0]=3 5845 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [0,1,0,0,1,0|2,0,0]=4 5846 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [0,1,0,0,1,0|1,0,0]=3 5847 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [0,1,0,0,1,0|1,0,0]=3 5848 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [0,1,0,0,1,0|2,0,0]=4 5849 B10R1.21 OCCOCn1cccn1 34a_100000731028_100000211926 [0,1,0,0,1,0|2,0,0]=4 5850 B10R1.21 OCCSCc1c[nH]cn1 62a_100000211926_100000707719 [0,1,0,0,1,0|2,0,0]=4 5851 B10R1.21 OCCSCc1c[nH]cn1 62a_100000707719_100000211926 [0,1,0,0,1,0|2,0,0]=4 5852 B10R1.21 OCCSCc1ccn[nH]1 62a_100000211926_100000728653 [0,1,0,0,1,0|2,0,0]=4 5853 B10R1.21 OCCSCc1ccn[nH]1 62a_100000728653_100000211926 [0,1,0,0,1,0|2,0,0]=4 5854 B10R1.21 OCCSCc1ccon1 62a_100000211926_100000234950 [0,1,0,0,1,0|2,0,0]=4 5855 B10R1.21 OCCSCc1ccon1 62a_100000234950_100000211926 [0,1,0,0,1,0|2,0,0]=4 5856 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [0,1,0,0,1,0|1,0,0]=3 5857 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [0,1,0,0,1,0|1,0,0]=3 5858 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [0,1,0,0,1,0|2,0,0]=4 5859 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [0,1,0,0,1,0|2,0,0]=4 5860 B10R1.21 OCCSCc1cscn1 62a_100000205941_100000211926 [0,1,0,0,1,0|2,0,0]=4 5861 B10R1.21 OCCSCc1cscn1 62a_100000211926_100000205941 [0,1,0,0,1,0|2,0,0]=4 5862 B10R1.21 OCCSCc1ncc[nH]1 62a_100000211926_100016991755 [0,1,0,0,1,0|2,0,0]=4 5863 B10R1.21 OCCSCc1ncc[nH]1 62a_100016991755_100000211926 [0,1,0,0,1,0|2,0,0]=4 5864 B10R1.21 OCCSCc1ncco1 62a_100000211926_103436540062 [0,1,0,0,1,0|2,0,0]=4 5865 B10R1.21 OCCSCc1ncco1 62a_103436540062_100000211926 [0,1,0,0,1,0|2,0,0]=4 5866 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [0,1,0,0,1,0|2,0,0]=4 5867 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [0,1,0,0,1,0|2,0,0]=4 5868 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [0,1,0,0,1,0|1,0,0]=3 5869 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [0,1,0,0,1,0|1,0,0]=3 5870 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [0,1,0,0,1,0|1,0,0]=3 5871 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [0,1,0,0,1,0|1,0,0]=3 5872 B10R1.21 [13CH3]OCCCc1cnoc1 34a_100011738005_200025704644 [0,1,0,0,1,0|2,0,0]=4 5873 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [0,1,0,0,1,0|1,0,0]=3 5874 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [0,1,0,0,1,0|1,0,0]=3 5875 B10R1.21 [13CH3]OCCCn1cccn1 34a_100000753614_200025704644 [0,1,0,0,1,0|2,0,0]=4 5876 B10R1.21 [13CH3]OCCCn1ccnc1 34a_100000240236_200025704644 [0,1,0,0,1,0|2,0,0]=4 5877 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [0,1,0,0,1,0|1,1,0]=4 5878 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [0,1,0,0,1,0|1,1,0]=4 5879 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [0,1,0,0,1,0|1,1,0]=4 5880 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [0,1,0,0,1,0|1,1,0]=4 5881 B10R1.27 CC(CO)Oc1ccsc1 34a_100000106738_100012180447 [0,1,0,0,1,0|2,0,0]=4 5882 B10R1.27 CC(CO)Oc1ccsc1 7a_100000106738_100012180447 [0,1,0,0,1,0|2,0,0]=4 5883 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,1,0,0,1,0|2,0,0]=4 5884 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [0,1,0,0,1,0|2,0,0]=4 5885 B10R1.27 CC(CO)Sc1ccoc1 62a_100012180447_100011215275 [0,1,0,0,1,0|2,0,0]=4 5886 B10R1.27 CC(CO)Sc1ccsc1 62a_100012180447_100000738268 [0,1,0,0,1,0|2,0,0]=4 5887 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,1,0,0,1,0|2,0,0]=4 5888 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,1,0,0,1,0|2,0,0]=4 5889 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [0,1,0,0,1,0|2,0,0]=4 5890 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [0,1,0,0,1,0|2,0,0]=4 5891 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100011215275_100016084084 [0,1,0,0,1,0|2,0,0]=4 5892 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100016084084_100011215275 [0,1,0,0,1,0|2,0,0]=4 5893 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100000738268_100016084084 [0,1,0,0,1,0|2,0,0]=4 5894 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100016084084_100000738268 [0,1,0,0,1,0|2,0,0]=4 5895 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,1,0|1,0,1]=4 5896 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,0,1,0|2,0,0]=4 5897 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,0,1,0|2,0,0]=4 5898 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [0,1,0,0,1,0|2,0,0]=4 5899 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,1,0,0,1,0|2,0,0]=4 5900 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [0,1,0,0,1,0|2,0,0]=4 5901 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,0,1,0|2,0,0]=4 5902 B10R1.29 Cc1ccsc1SCCO 62a_100000211926_100010247149 [0,1,0,0,1,0|2,0,0]=4 5903 B10R1.29 Cc1ccsc1SCCO 62a_100010247149_100000211926 [0,1,0,0,1,0|2,0,0]=4 5904 B10R1.29 Cc1cscc1SCCO 62a_100000211926_100000759966 [0,1,0,0,1,0|2,0,0]=4 5905 B10R1.29 Cc1cscc1SCCO 62a_100000759966_100000211926 [0,1,0,0,1,0|2,0,0]=4 5906 B10R1.29 Cc1sccc1SCCO 62a_100000211926_100000684487 [0,1,0,0,1,0|2,0,0]=4 5907 B10R1.29 Cc1sccc1SCCO 62a_100000684487_100000211926 [0,1,0,0,1,0|2,0,0]=4 5908 B10R1.29 OCCSc1cscc1Br 62a_100000211926_100010143727 [0,1,0,0,1,0|2,0,0]=4 5909 B10R1.29 OCCSc1cscc1Br 62a_100010143727_100000211926 [0,1,0,0,1,0|2,0,0]=4 5910 B10R1.29 OCCSc1sccc1Br 62a_100000211926_100012361411 [0,1,0,0,1,0|2,0,0]=4 5911 B10R1.29 OCCSc1sccc1Br 62a_100012361411_100000211926 [0,1,0,0,1,0|2,0,0]=4 5912 B10R1.66 CC(O)COc1ccsc1 34a_100000106738_100011218427 [0,1,0,0,1,0|2,0,0]=4 5913 B10R1.66 CC(O)COc1ccsc1 7a_100000106738_100011218427 [0,1,0,0,1,0|2,0,0]=4 5914 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,1,0,0,1,0|2,0,0]=4 5915 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,1,0,0,1,0|2,0,0]=4 5916 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,1,0,0,1,0|2,0,0]=4 5917 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,1,0,0,1,0|2,0,0]=4 5918 B10R1.66 CC(O)CSc1ccoc1 62a_100011215275_100011218427 [0,1,0,0,1,0|2,0,0]=4 5919 B10R1.66 CC(O)CSc1ccoc1 62a_100011218427_100011215275 [0,1,0,0,1,0|2,0,0]=4 5920 B10R1.66 CC(O)CSc1ccsc1 62a_100000738268_100011218427 [0,1,0,0,1,0|2,0,0]=4 5921 B10R1.66 CC(O)CSc1ccsc1 62a_100011218427_100000738268 [0,1,0,0,1,0|2,0,0]=4 5922 B10R1.66 C[C@@H](O)COc1ccsc1 34a_100000106738_100009817552 [0,1,0,0,1,0|2,0,0]=4 5923 B10R1.66 C[C@@H](O)COc1ccsc1 7a_100000106738_100009817552 [0,1,0,0,1,0|2,0,0]=4 5924 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,1,0,0,1,0|2,0,0]=4 5925 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,1,0,0,1,0|2,0,0]=4 5926 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,1,0,0,1,0|2,0,0]=4 5927 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,1,0,0,1,0|2,0,0]=4 5928 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100009817552_100011215275 [0,1,0,0,1,0|2,0,0]=4 5929 B10R1.66 C[C@@H](O)CSc1ccoc1 62a_100011215275_100009817552 [0,1,0,0,1,0|2,0,0]=4 5930 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100000738268_100009817552 [0,1,0,0,1,0|2,0,0]=4 5931 B10R1.66 C[C@@H](O)CSc1ccsc1 62a_100009817552_100000738268 [0,1,0,0,1,0|2,0,0]=4 5932 B12R1.18 CCCOc1cccccc1=O 34a_100000036025_100000210303 [0,1,0,0,0,1|2,0,0]=4 5933 B12R1.18 CCCOc1cccccc1=O 7a_100000036025_100000210303 [0,1,0,0,0,1|2,0,0]=4 5934 B12R1.18 O=c1cccccc1OCCF 34a_100000036025_100011217306 [0,1,0,0,0,1|2,0,0]=4 5935 B12R1.18 O=c1cccccc1OCCF 7a_100000036025_100011217306 [0,1,0,0,0,1|2,0,0]=4 5936 B12R1.18 O=c1cccccc1OCCO 34a_100000036025_100000211926 [0,1,0,0,0,1|1,0,0]=3 5937 B12R1.18 O=c1cccccc1OCCO 7a_100000036025_100000211926 [0,1,0,0,0,1|1,0,0]=3 5938 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,2,0,0,0,0|1,0,0]=3 5939 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,2,0,0,0,0|1,0,0]=3 5940 B12R1.1 BrCCOCc1ccc(cn1)Br 34a_100000211926_100000702658 [0,2,0,0,0,0|2,0,0]=4 5941 B12R1.1 BrCCOCc1ccc(nc1)Br 34a_100000211926_100009831999 [0,2,0,0,0,0|2,0,0]=4 5942 B12R1.1 C#CCCNc1ccc(cc1)Br 2230a_100000210018_100000688953 [0,2,0,0,0,0|1,0,1]=4 5943 B12R1.1 C#CCCNc1ccc(cc1)Br 34a_100000210018_100000688953 [0,2,0,0,0,0|1,0,1]=4 5944 B12R1.1 C#CCCNc1ccc(cc1)C 34a_100000124888_100000688953 [0,2,0,0,0,0|1,0,1]=4 5945 B12R1.1 C#CCCNc1ccc(cc1)Cl 2230a_100000210052_100000688953 [0,2,0,0,0,0|1,0,1]=4 5946 B12R1.1 C#CCCNc1ccc(cc1)Cl 34a_100000210052_100000688953 [0,2,0,0,0,0|1,0,1]=4 5947 B12R1.1 C#CCCNc1ccc(cc1)F 34a_100000185862_100000688953 [0,2,0,0,0,0|1,0,1]=4 5948 B12R1.1 C#CCCNc1ccc(cc1)I 34a_100000185761_100000688953 [0,2,0,0,0,0|1,0,1]=4 5949 B12R1.1 C#CCCNc1ccc(cc1)O 34a_100000185829_100000688953 [0,2,0,0,0,0|1,0,1]=4 5950 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [0,2,0,0,0,0|1,0,1]=4 5951 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [0,2,0,0,0,0|1,0,1]=4 5952 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,2,0,0,0,0|1,0,1]=4 5953 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,2,0,0,0,0|1,0,1]=4 5954 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [0,2,0,0,0,0|1,0,1]=4 5955 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [0,2,0,0,0,0|1,0,1]=4 5956 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [0,2,0,0,0,0|1,0,1]=4 5957 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [0,2,0,0,0,0|1,0,1]=4 5958 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [0,2,0,0,0,0|1,0,1]=4 5959 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [0,2,0,0,0,0|1,0,1]=4 5960 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000688953_100000752885 [0,2,0,0,0,0|1,0,1]=4 5961 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000752885_100000688953 [0,2,0,0,0,0|1,0,1]=4 5962 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000186775_100000688953 [0,2,0,0,0,0|1,0,1]=4 5963 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000688953_100000186775 [0,2,0,0,0,0|1,0,1]=4 5964 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000688953_100000755918 [0,2,0,0,0,0|1,0,1]=4 5965 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000755918_100000688953 [0,2,0,0,0,0|1,0,1]=4 5966 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000211213_100000688953 [0,2,0,0,0,0|1,0,1]=4 5967 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000688953_100000211213 [0,2,0,0,0,0|1,0,1]=4 5968 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000185761_100000688953 [0,2,0,0,0,0|1,0,1]=4 5969 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000688953_100000185761 [0,2,0,0,0,0|1,0,1]=4 5970 B12R1.1 C#CCCSc1ccc(cc1)O 62a_100000688953_100000185759 [0,2,0,0,0,0|1,0,1]=4 5971 B12R1.1 C#CCNCc1ccc(cc1)Br 2230a_100000174875_100000038162 [0,2,0,0,0,0|1,0,1]=4 5972 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000174875_100000184674 [0,2,0,0,0,0|1,0,1]=4 5973 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000212058_100000189115 [0,2,0,0,0,0|1,0,1]=4 5974 B12R1.1 C#CCNCc1ccc(cc1)C 2230a_100000174908_100000038162 [0,2,0,0,0,0|1,0,1]=4 5975 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000174908_100000184674 [0,2,0,0,0,0|1,0,1]=4 5976 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000212058_100000210814 [0,2,0,0,0,0|1,0,1]=4 5977 B12R1.1 C#CCNCc1ccc(cc1)Cl 2230a_100000174871_100000038162 [0,2,0,0,0,0|1,0,1]=4 5978 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000174871_100000184674 [0,2,0,0,0,0|1,0,1]=4 5979 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000212058_100000694040 [0,2,0,0,0,0|1,0,1]=4 5980 B12R1.1 C#CCNCc1ccc(cc1)F 2230a_100000174882_100000038162 [0,2,0,0,0,0|1,0,1]=4 5981 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000174882_100000184674 [0,2,0,0,0,0|1,0,1]=4 5982 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000212058_100000198546 [0,2,0,0,0,0|1,0,1]=4 5983 B12R1.1 C#CCNCc1ccc(cc1)I 2230a_100016989417_100000038162 [0,2,0,0,0,0|1,0,1]=4 5984 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100000212058_100000189116 [0,2,0,0,0,0|1,0,1]=4 5985 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100016989417_100000184674 [0,2,0,0,0,0|1,0,1]=4 5986 B12R1.1 C#CCNCc1ccc(cc1)O 34a_100000185549_100000184674 [0,2,0,0,0,0|1,0,1]=4 5987 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000210247_100000189115 [0,2,0,0,0,0|1,0,1]=4 5988 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000695286_100000184674 [0,2,0,0,0,0|1,0,1]=4 5989 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,2,0,0,0,0|1,0,1]=4 5990 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,2,0,0,0,0|1,0,1]=4 5991 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,2,0,0,0,0|1,0,1]=4 5992 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000210247_100000694040 [0,2,0,0,0,0|1,0,1]=4 5993 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000211118_100000184674 [0,2,0,0,0,0|1,0,1]=4 5994 B12R1.1 C#CCOCc1ccc(cc1)Cl 7a_100000211118_100000038162 [0,2,0,0,0,0|1,0,1]=4 5995 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210247_100000198546 [0,2,0,0,0,0|1,0,1]=4 5996 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210977_100000184674 [0,2,0,0,0,0|1,0,1]=4 5997 B12R1.1 C#CCOCc1ccc(cc1)F 7a_100000210977_100000038162 [0,2,0,0,0,0|1,0,1]=4 5998 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000210247_100000189116 [0,2,0,0,0,0|1,0,1]=4 5999 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000690907_100000184674 [0,2,0,0,0,0|1,0,1]=4 6000 B12R1.1 C#CCOCc1ccc(cc1)I 7a_100000690907_100000038162 [0,2,0,0,0,0|1,0,1]=4 6001 B12R1.1 C#CCOCc1ccc(cc1)N 34a_100011215238_100000184674 [0,2,0,0,0,0|1,0,1]=4 6002 B12R1.1 C#CCSCc1ccc(cc1)Br 62a_100000038162_100000189115 [0,2,0,0,0,0|1,0,1]=4 6003 B12R1.1 C#CCSCc1ccc(cc1)C 62a_100000038162_100000210814 [0,2,0,0,0,0|1,0,1]=4 6004 B12R1.1 C#CCSCc1ccc(cc1)Cl 62a_100000038162_100000187161 [0,2,0,0,0,0|1,0,1]=4 6005 B12R1.1 C#CCSCc1ccc(cc1)F 62a_100000038162_100000187164 [0,2,0,0,0,0|1,0,1]=4 6006 B12R1.1 C#CCSCc1ccc(cc1)I 62a_100000038162_100000189116 [0,2,0,0,0,0|1,0,1]=4 6007 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|1,0,1]=4 6008 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|1,0,1]=4 6009 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|1,0,1]=4 6010 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|1,0,1]=4 6011 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|1,0,1]=4 6012 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|1,0,1]=4 6013 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|1,0,1]=4 6014 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|1,0,1]=4 6015 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|1,0,1]=4 6016 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|1,0,1]=4 6017 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|1,0,1]=4 6018 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|1,0,1]=4 6019 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|1,0,1]=4 6020 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|1,0,1]=4 6021 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|1,0,1]=4 6022 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|1,0,1]=4 6023 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|1,0,1]=4 6024 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|1,0,1]=4 6025 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|1,0,1]=4 6026 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|1,0,1]=4 6027 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|1,0,1]=4 6028 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|1,0,1]=4 6029 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|1,0,1]=4 6030 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|1,0,1]=4 6031 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|1,0,1]=4 6032 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|1,0,1]=4 6033 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|1,0,1]=4 6034 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|1,0,1]=4 6035 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|1,0,1]=4 6036 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|1,0,1]=4 6037 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,2,0,0,0,0|1,0,1]=4 6038 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,2,0,0,0,0|1,0,1]=4 6039 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,2,0,0,0,0|1,0,1]=4 6040 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,2,0,0,0,0|1,0,1]=4 6041 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,2,0,0,0,0|1,0,1]=4 6042 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,2,0,0,0,0|1,0,1]=4 6043 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,2,0,0,0,0|1,0,1]=4 6044 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,2,0,0,0,0|1,0,1]=4 6045 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,2,0,0,0,0|1,0,1]=4 6046 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,2,0,0,0,0|1,0,1]=4 6047 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,2,0,0,0,0|1,0,1]=4 6048 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,2,0,0,0,0|1,0,1]=4 6049 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,2,0,0,0,0|1,0,1]=4 6050 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,2,0,0,0,0|1,0,1]=4 6051 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,2,0,0,0,0|1,0,1]=4 6052 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,2,0,0,0,0|1,0,1]=4 6053 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,2,0,0,0,0|1,0,1]=4 6054 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,2,0,0,0,0|1,0,1]=4 6055 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,2,0,0,0,0|1,0,1]=4 6056 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,2,0,0,0,0|1,0,1]=4 6057 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|1,0,1]=4 6058 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|1,0,1]=4 6059 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|1,0,1]=4 6060 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|1,0,1]=4 6061 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|1,0,1]=4 6062 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|1,0,1]=4 6063 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|1,0,1]=4 6064 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|1,0,1]=4 6065 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|1,0,1]=4 6069 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|1,0,1]=4 6070 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|1,0,1]=4 6071 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,2,0,0,0,0|1,0,1]=4 6073 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,2,0,0,0,0|1,0,1]=4 6074 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,2,0,0,0,0|1,0,1]=4 6080 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,2,0,0,0,0|1,0,1]=4 6081 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,2,0,0,0,0|1,0,1]=4 6082 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [0,2,0,0,0,0|1,0,1]=4 6083 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,2,0,0,0,0|1,0,1]=4 6084 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [0,2,0,0,0,0|1,0,1]=4 6085 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [0,2,0,0,0,0|1,0,1]=4 6086 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [0,2,0,0,0,0|1,0,1]=4 6087 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,2,0,0,0,0|1,0,1]=4 6088 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,2,0,0,0,0|1,0,0]=3 6089 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,2,0,0,0,0|1,0,0]=3 6090 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,2,0,0,0,0|1,0,0]=3 6091 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,2,0,0,0,0|1,0,0]=3 6092 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,2,0,0,0,0|1,0,0]=3 6093 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,2,0,0,0,0|1,0,0]=3 6094 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,2,0,0,0,0|1,0,0]=3 6095 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,2,0,0,0,0|1,0,0]=3 6096 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,2,0,0,0,0|1,0,0]=3 6097 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [0,2,0,0,0,0|2,0,0]=4 6098 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [0,2,0,0,0,0|2,0,0]=4 6099 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [0,2,0,0,0,0|2,0,0]=4 6100 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,2,0,0,0,0|1,0,0]=3 6101 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,2,0,0,0,0|1,0,0]=3 6102 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,2,0,0,0,0|1,0,0]=3 6103 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,2,0,0,0,0|1,0,0]=3 6104 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,2,0,0,0,0|1,0,0]=3 6105 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,2,0,0,0,0|1,0,0]=3 6106 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,2,0,0,0,0|1,0,0]=3 6107 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,2,0,0,0,0|1,0,0]=3 6108 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,2,0,0,0,0|1,0,0]=3 6109 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,2,0,0,0,0|1,0,0]=3 6110 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,2,0,0,0,0|1,0,0]=3 6111 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [0,2,0,0,0,0|2,0,0]=4 6112 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [0,2,0,0,0,0|2,0,0]=4 6113 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [0,2,0,0,0,0|2,0,0]=4 6114 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [0,2,0,0,0,0|2,0,0]=4 6115 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [0,2,0,0,0,0|2,0,0]=4 6116 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [0,2,0,0,0,0|2,0,0]=4 6117 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [0,2,0,0,0,0|2,0,0]=4 6118 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [0,2,0,0,0,0|2,0,0]=4 6119 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [0,2,0,0,0,0|2,0,0]=4 6120 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [0,2,0,0,0,0|2,0,0]=4 6121 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [0,2,0,0,0,0|2,0,0]=4 6122 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [0,2,0,0,0,0|2,0,0]=4 6123 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [0,2,0,0,0,0|2,0,0]=4 6124 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [0,2,0,0,0,0|2,0,0]=4 6125 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [0,2,0,0,0,0|2,0,0]=4 6127 B12R1.1 CCCCSc1cc[n+](cc1)[O-] 62a_100000210211_100000039755 [0,2,0,0,0,0|2,0,0]=4 6128 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [0,2,0,0,0,0|2,0,0]=4 6129 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [0,2,0,0,0,0|2,0,0]=4 6130 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,2,0,0,0,0|1,0,0]=3 6131 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,2,0,0,0,0|1,0,0]=3 6132 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,2,0,0,0,0|1,0,0]=3 6133 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,2,0,0,0,0|1,0,0]=3 6134 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,2,0,0,0,0|1,0,0]=3 6135 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,2,0,0,0,0|1,0,0]=3 6136 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,2,0,0,0,0|1,0,0]=3 6137 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,2,0,0,0,0|1,0,0]=3 6138 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,2,0,0,0,0|1,0,0]=3 6139 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,2,0,0,0,0|1,0,0]=3 6140 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,2,0,0,0,0|1,0,0]=3 6141 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [0,2,0,0,0,0|2,0,0]=4 6146 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [0,2,0,0,0,0|2,0,0]=4 6147 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [0,2,0,0,0,0|2,0,0]=4 6152 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [0,2,0,0,0,0|2,0,0]=4 6153 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100000210211_100009814638 [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100009814638_100000210210 [0,2,0,0,0,0|2,0,0]=4 6155 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000210211_100000751577 [0,2,0,0,0,0|2,0,0]=4 6156 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000751577_100000210210 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [0,2,0,0,0,0|2,0,0]=4 6159 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000042367_100000210210 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000210211_100000042367 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000187370_100000210210 [0,2,0,0,0,0|2,0,0]=4 6162 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000210211_100000187370 [0,2,0,0,0,0|2,0,0]=4 6163 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,2,0,0,0,0|1,0,0]=3 6164 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,2,0,0,0,0|1,0,0]=3 6165 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,2,0,0,0,0|1,0,0]=3 6166 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,2,0,0,0,0|1,0,0]=3 6167 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,2,0,0,0,0|1,0,0]=3 6168 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,2,0,0,0,0|1,0,0]=3 6169 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,2,0,0,0,0|1,0,0]=3 6170 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,2,0,0,0,0|1,0,0]=3 6171 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,2,0,0,0,0|1,0,0]=3 6172 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,2,0,0,0,0|1,0,0]=3 6173 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,2,0,0,0,0|1,0,0]=3 6174 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,2,0,0,0,0|1,0,0]=3 6175 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,2,0,0,0,0|1,0,0]=3 6176 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,2,0,0,0,0|1,0,0]=3 6177 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,2,0,0,0,0|1,0,0]=3 6178 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,2,0,0,0,0|1,0,0]=3 6179 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,2,0,0,0,0|1,0,0]=3 6180 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,2,0,0,0,0|1,0,0]=3 6181 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,2,0,0,0,0|1,0,0]=3 6182 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,2,0,0,0,0|1,0,0]=3 6183 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [0,2,0,0,0,0|2,0,0]=4 6186 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [0,2,0,0,0,0|2,0,0]=4 6187 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [0,2,0,0,0,0|2,0,0]=4 6188 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [0,2,0,0,0,0|2,0,0]=4 6189 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,2,0,0,0,0|2,0,0]=4 6191 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,2,0,0,0,0|2,0,0]=4 6192 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [0,2,0,0,0,0|2,0,0]=4 6193 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.1 CCCNCc1ccc(nc1)Br 2230a_100009817727_100000210303 [0,2,0,0,0,0|2,0,0]=4 6196 B12R1.1 CCCNCc1ccc(nc1)Br 34a_100009817727_100000210303 [0,2,0,0,0,0|2,0,0]=4 6197 B12R1.1 CCCNCc1ccc(nc1)C 270004a_100020643023_100000743784 [0,2,0,0,0,0|2,0,0]=4 6198 B12R1.1 CCCNCc1ccc(nc1)C 34a_100000740942_100000210303 [0,2,0,0,0,0|2,0,0]=4 6199 B12R1.1 CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210303 [0,2,0,0,0,0|2,0,0]=4 6200 B12R1.1 CCCNCc1ccc(nc1)Cl 34a_100000735879_100000210303 [0,2,0,0,0,0|2,0,0]=4 6201 B12R1.1 CCCNCc1ccc(nc1)F 2230a_100000101913_100000210303 [0,2,0,0,0,0|2,0,0]=4 6202 B12R1.1 CCCNCc1ccc(nc1)F 34a_100000101913_100000210303 [0,2,0,0,0,0|2,0,0]=4 6203 B12R1.1 CCCNCc1ccc(nc1)O 207a_100020643023_100011361521 [0,2,0,0,0,0|2,0,0]=4 6204 B12R1.1 CCCNCc1ccc(nc1)O 2230a_100000757128_100000210303 [0,2,0,0,0,0|2,0,0]=4 6205 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [0,2,0,0,0,0|2,0,0]=4 6206 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [0,2,0,0,0,0|2,0,0]=4 6207 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [0,2,0,0,0,0|2,0,0]=4 6208 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [0,2,0,0,0,0|2,0,0]=4 6209 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,2,0,0,0,0|1,0,0]=3 6210 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,2,0,0,0,0|1,0,0]=3 6211 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,2,0,0,0,0|1,0,0]=3 6212 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,2,0,0,0,0|1,0,0]=3 6213 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,2,0,0,0,0|1,0,0]=3 6214 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,2,0,0,0,0|1,0,0]=3 6215 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,2,0,0,0,0|1,0,0]=3 6216 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,2,0,0,0,0|1,0,0]=3 6217 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,2,0,0,0,0|1,0,0]=3 6218 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,2,0,0,0,0|1,0,0]=3 6219 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,2,0,0,0,0|1,0,0]=3 6220 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,2,0,0,0,0|1,0,0]=3 6221 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,2,0,0,0,0|1,0,0]=3 6222 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,2,0,0,0,0|1,0,0]=3 6223 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,2,0,0,0,0|1,0,0]=3 6224 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [0,2,0,0,0,0|2,0,0]=4 6225 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [0,2,0,0,0,0|2,0,0]=4 6226 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [0,2,0,0,0,0|2,0,0]=4 6234 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [0,2,0,0,0,0|2,0,0]=4 6239 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [0,2,0,0,0,0|2,0,0]=4 6243 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,2,0,0,0,0|1,0,0]=3 6245 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,2,0,0,0,0|1,0,0]=3 6246 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,2,0,0,0,0|1,0,0]=3 6247 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,2,0,0,0,0|1,0,0]=3 6248 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,2,0,0,0,0|1,0,0]=3 6249 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,2,0,0,0,0|1,0,0]=3 6250 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,2,0,0,0,0|1,0,0]=3 6251 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,2,0,0,0,0|1,0,0]=3 6252 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,2,0,0,0,0|1,0,0]=3 6253 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,2,0,0,0,0|1,0,0]=3 6254 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [0,2,0,0,0,0|2,0,0]=4 6259 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [0,2,0,0,0,0|2,0,0]=4 6261 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100000210303_100009831999 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100009831999_100000210303 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.1 CCCSCc1ccc(nc1)C 62a_100000210303_100016987292 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.1 CCCSCc1ccc(nc1)C 62a_100016987292_100000210303 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000210303_100000735431 [0,2,0,0,0,0|2,0,0]=4 6267 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000735431_100000210303 [0,2,0,0,0,0|2,0,0]=4 6268 B12R1.1 CCCSCc1ccc(nc1)F 62a_100000210303_100000099788 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.1 CCCSCc1ccc(nc1)F 62a_100009820150_100000210303 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,2,0,0,0,0|1,0,0]=3 6271 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,2,0,0,0,0|1,0,0]=3 6272 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,2,0,0,0,0|1,0,0]=3 6273 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,2,0,0,0,0|1,0,0]=3 6274 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,2,0,0,0,0|1,0,0]=3 6275 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,2,0,0,0,0|1,0,0]=3 6276 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,2,0,0,0,0|1,0,0]=3 6277 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,2,0,0,0,0|1,0,0]=3 6278 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,2,0,0,0,0|1,0,0]=3 6279 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,2,0,0,0,0|1,0,0]=3 6280 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,2,0,0,0,0|1,0,0]=3 6281 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,2,0,0,0,0|1,0,0]=3 6282 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,2,0,0,0,0|1,0,0]=3 6283 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,2,0,0,0,0|1,0,0]=3 6285 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,2,0,0,0,0|1,0,0]=3 6286 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,2,0,0,0,0|1,0,0]=3 6287 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,2,0,0,0,0|1,0,0]=3 6288 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,2,0,0,0,0|1,0,0]=3 6289 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,2,0,0,0,0|1,0,0]=3 6290 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,2,0,0,0,0|1,0,0]=3 6291 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,2,0,0,0,0|1,0,0]=3 6292 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,2,0,0,0,0|1,0,0]=3 6293 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,2,0,0,0,0|1,0,0]=3 6294 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,2,0,0,0,0|1,0,0]=3 6295 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,2,0,0,0,0|1,0,0]=3 6296 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,2,0,0,0,0|1,0,0]=3 6297 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,2,0,0,0,0|1,0,0]=3 6298 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,2,0,0,0,0|1,0,0]=3 6299 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.1 CCOCCc1ccc(nc1)C 34a_100011815783_100000210202 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.1 CCOCCc1ccc(nc1)Cl 34a_100009880866_100000210202 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.1 CCOCCc1ccc(nc1)Cl 7a_100009880866_100000210202 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000739092_100000752885 [0,2,0,0,0,0|2,0,0]=4 6304 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000752885_100000739092 [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000186775_100000739092 [0,2,0,0,0,0|2,0,0]=4 6306 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000739092_100000186775 [0,2,0,0,0,0|2,0,0]=4 6307 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000739092_100000755918 [0,2,0,0,0,0|2,0,0]=4 6308 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000755918_100000739092 [0,2,0,0,0,0|2,0,0]=4 6309 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000211213_100000739092 [0,2,0,0,0,0|2,0,0]=4 6310 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000739092_100000211213 [0,2,0,0,0,0|2,0,0]=4 6311 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000185761_100000739092 [0,2,0,0,0,0|2,0,0]=4 6312 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000739092_100000185761 [0,2,0,0,0,0|2,0,0]=4 6313 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [0,2,0,0,0,0|2,0,0]=4 6314 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,2,0,0,0,0|1,0,0]=3 6315 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,2,0,0,0,0|1,0,0]=3 6316 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,2,0,0,0,0|1,0,0]=3 6317 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,2,0,0,0,0|1,0,0]=3 6318 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,2,0,0,0,0|1,0,0]=3 6319 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,2,0,0,0,0|1,0,0]=3 6320 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,2,0,0,0,0|1,0,0]=3 6321 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,2,0,0,0,0|1,0,0]=3 6322 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,2,0,0,0,0|1,0,0]=3 6323 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,2,0,0,0,0|1,0,0]=3 6324 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 6325 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,2,0,0,0,0|1,0,0]=3 6326 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 6327 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,2,0,0,0,0|1,0,0]=3 6328 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,2,0,0,0,0|1,0,0]=3 6329 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,2,0,0,0,0|1,0,0]=3 6330 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,2,0,0,0,0|1,0,0]=3 6331 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,2,0,0,0,0|1,0,0]=3 6332 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,2,0,0,0,0|1,0,0]=3 6333 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,2,0,0,0,0|1,0,0]=3 6334 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,2,0,0,0,0|1,0,0]=3 6335 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,2,0,0,0,0|1,0,0]=3 6336 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,2,0,0,0,0|1,0,0]=3 6337 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,2,0,0,0,0|1,0,0]=3 6338 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,2,0,0,0,0|1,0,0]=3 6339 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,2,0,0,0,0|1,0,0]=3 6340 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,2,0,0,0,0|1,0,0]=3 6341 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,2,0,0,0,0|2,0,0]=4 6342 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,2,0,0,0,0|2,0,0]=4 6343 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,2,0,0,0,0|2,0,0]=4 6344 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,2,0,0,0,0|2,0,0]=4 6345 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,2,0,0,0,0|2,0,0]=4 6346 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,2,0,0,0,0|2,0,0]=4 6347 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,2,0,0,0,0|2,0,0]=4 6348 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,2,0,0,0,0|2,0,0]=4 6349 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,2,0,0,0,0|2,0,0]=4 6350 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,2,0,0,0,0|2,0,0]=4 6351 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,2,0,0,0,0|2,0,0]=4 6352 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,2,0,0,0,0|2,0,0]=4 6353 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,2,0,0,0,0|2,0,0]=4 6354 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,2,0,0,0,0|2,0,0]=4 6355 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,2,0,0,0,0|2,0,0]=4 6356 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,2,0,0,0,0|2,0,0]=4 6357 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,2,0,0,0,0|2,0,0]=4 6358 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,2,0,0,0,0|2,0,0]=4 6359 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,2,0,0,0,0|2,0,0]=4 6360 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,2,0,0,0,0|2,0,0]=4 6361 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [0,2,0,0,0,0|2,0,0]=4 6362 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,2,0,0,0,0|2,0,0]=4 6363 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [0,2,0,0,0,0|2,0,0]=4 6364 B12R1.1 COCC#Cc1ccc(cc1)Br 34a_100009814260_200000210301 [0,2,0,0,0,0|0,0,2]=4 6365 B12R1.1 COCC#Cc1ccc(cc1)Br 34a_100138415774_100010706785 [0,2,0,0,0,0|0,0,2]=4 6366 B12R1.1 COCC#Cc1ccc(cc1)Br 7a_100009814260_200000210301 [0,2,0,0,0,0|0,0,2]=4 6367 B12R1.1 COCC#Cc1ccc(cc1)C 34a_100000696136_200000210301 [0,2,0,0,0,0|0,0,2]=4 6368 B12R1.1 COCC#Cc1ccc(cc1)C 7a_100000696136_200000210301 [0,2,0,0,0,0|0,0,2]=4 6369 B12R1.1 COCC#Cc1ccc(cc1)F 34a_100011219116_200000210301 [0,2,0,0,0,0|0,0,2]=4 6370 B12R1.1 COCC#Cc1ccc(cc1)F 34a_100138415774_100010402171 [0,2,0,0,0,0|0,0,2]=4 6371 B12R1.1 COCC#Cc1ccc(cc1)F 7a_100011219116_200000210301 [0,2,0,0,0,0|0,0,2]=4 6372 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [0,2,0,0,0,0|0,0,2]=4 6373 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [0,2,0,0,0,0|0,0,2]=4 6374 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [0,2,0,0,0,0|0,0,2]=4 6375 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [0,2,0,0,0,0|0,0,2]=4 6376 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [0,2,0,0,0,0|0,0,2]=4 6377 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [0,2,0,0,0,0|0,0,2]=4 6378 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,2,0,0,0,0|0,0,0]=2 6379 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,2,0,0,0,0|0,0,0]=2 6380 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,2,0,0,0,0|0,0,0]=2 6381 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,2,0,0,0,0|0,0,0]=2 6382 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,2,0,0,0,0|0,0,0]=2 6383 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,2,0,0,0,0|0,0,0]=2 6384 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,2,0,0,0,0|0,0,0]=2 6385 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,2,0,0,0,0|0,0,0]=2 6386 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,2,0,0,0,0|0,0,0]=2 6387 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,2,0,0,0,0|0,0,0]=2 6388 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,2,0,0,0,0|0,0,0]=2 6389 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [0,2,0,0,0,0|1,0,0]=3 6390 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [0,2,0,0,0,0|1,0,0]=3 6391 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,2,0,0,0,0|1,0,0]=3 6392 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [0,2,0,0,0,0|1,0,0]=3 6393 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [0,2,0,0,0,0|1,0,0]=3 6394 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [0,2,0,0,0,0|1,0,0]=3 6395 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [0,2,0,0,0,0|1,0,0]=3 6396 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,2,0,0,0,0|1,0,0]=3 6397 B12R1.1 COCCNc1ccc(cn1)Br 27a_100000209980_100000686858 [0,2,0,0,0,0|2,0,0]=4 6398 B12R1.1 COCCOc1ccc(=O)[nH]c1 34a_100000075641_100011201679 [0,2,0,0,0,0|2,0,0]=4 6399 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,2,0,0,0,0|1,0,0]=3 6400 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,2,0,0,0,0|1,0,0]=3 6401 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,2,0,0,0,0|1,0,0]=3 6402 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,2,0,0,0,0|1,0,0]=3 6403 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,2,0,0,0,0|1,0,0]=3 6404 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,2,0,0,0,0|1,0,0]=3 6405 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,2,0,0,0,0|1,0,0]=3 6406 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,2,0,0,0,0|1,0,0]=3 6407 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,2,0,0,0,0|1,0,0]=3 6408 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,2,0,0,0,0|1,0,0]=3 6409 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,2,0,0,0,0|1,0,0]=3 6410 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,2,0,0,0,0|1,0,0]=3 6411 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,2,0,0,0,0|1,0,0]=3 6412 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,2,0,0,0,0|1,0,0]=3 6413 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,2,0,0,0,0|1,0,0]=3 6414 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,2,0,0,0,0|1,0,0]=3 6415 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,2,0,0,0,0|1,0,0]=3 6416 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,2,0,0,0,0|1,0,0]=3 6417 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,2,0,0,0,0|1,0,0]=3 6418 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,2,0,0,0,0|1,0,0]=3 6419 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,2,0,0,0,0|1,0,0]=3 6420 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,2,0,0,0,0|1,0,0]=3 6421 B12R1.1 COCCOc1ccc(cn1)C 34a_100000759353_100011201679 [0,2,0,0,0,0|2,0,0]=4 6422 B12R1.1 COCCOc1ccc(cn1)Cl 34a_100011215309_100011201679 [0,2,0,0,0,0|2,0,0]=4 6423 B12R1.1 COCCOc1ccc(cn1)F 34a_100000742473_100011201679 [0,2,0,0,0,0|2,0,0]=4 6424 B12R1.1 COCCOc1ccc(cn1)N 34a_100000729260_100011201679 [0,2,0,0,0,0|2,0,0]=4 6425 B12R1.1 COCCOc1ccc(cn1)N 34a_100102662783_200000210301 [0,2,0,0,0,0|2,0,0]=4 6426 B12R1.1 COCCOc1ccc(cn1)O 271570a_203496583355_100000758753 [0,2,0,0,0,0|2,0,0]=4 6427 B12R1.1 COCCOc1ccc(nc1)Br 34a_100000685995_100011201679 [0,2,0,0,0,0|2,0,0]=4 6428 B12R1.1 COCCOc1ccc(nc1)Br 34a_200013150534_200000210301 [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.1 COCCOc1ccc(nc1)Br 7a_100000685995_100000233755 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.1 COCCOc1ccc(nc1)Br 7a_200013150534_200000210301 [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.1 COCCOc1ccc(nc1)C 34a_100000745506_100011201679 [0,2,0,0,0,0|2,0,0]=4 6432 B12R1.1 COCCOc1ccc(nc1)C 7a_100000745506_100000233755 [0,2,0,0,0,0|2,0,0]=4 6433 B12R1.1 COCCOc1ccc(nc1)Cl 34a_100000744096_100011201679 [0,2,0,0,0,0|2,0,0]=4 6434 B12R1.1 COCCOc1ccc(nc1)Cl 7a_100000744096_100000233755 [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.1 COCCOc1ccc(nc1)F 34a_100000688820_100011201679 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.1 COCCOc1ccc(nc1)F 7a_100000688820_100000233755 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.1 COCCOc1ccc(nc1)I 34a_100000687607_100011201679 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.1 COCCOc1ccc(nc1)I 7a_100000687607_100000233755 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.1 COCCOc1ccc(nc1)N 34a_100015188713_100011201679 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.1 COCCOc1ccc(nc1)N 7a_100015188713_100000233755 [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.1 COCCSc1cc[n+](cc1)[O-] 62a_100000233755_100000039755 [0,2,0,0,0,0|2,0,0]=4 6442 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000212171_100000233755 [0,2,0,0,0,0|2,0,0]=4 6443 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000233755_100000212171 [0,2,0,0,0,0|2,0,0]=4 6444 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [0,2,0,0,0,0|1,0,0]=3 6445 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [0,2,0,0,0,0|1,0,0]=3 6446 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,2,0,0,0,0|1,0,0]=3 6447 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,2,0,0,0,0|1,0,0]=3 6448 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,2,0,0,0,0|1,0,0]=3 6449 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,2,0,0,0,0|1,0,0]=3 6450 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [0,2,0,0,0,0|1,0,0]=3 6451 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [0,2,0,0,0,0|1,0,0]=3 6452 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [0,2,0,0,0,0|1,0,0]=3 6453 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [0,2,0,0,0,0|1,0,0]=3 6454 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [0,2,0,0,0,0|1,0,0]=3 6455 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [0,2,0,0,0,0|1,0,0]=3 6456 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [0,2,0,0,0,0|1,0,0]=3 6457 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [0,2,0,0,0,0|1,0,0]=3 6458 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [0,2,0,0,0,0|1,0,0]=3 6459 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [0,2,0,0,0,0|1,0,0]=3 6460 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,2,0,0,0,0|1,0,0]=3 6461 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,2,0,0,0,0|1,0,0]=3 6462 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000233755_100000686858 [0,2,0,0,0,0|2,0,0]=4 6463 B12R1.1 COCCSc1ccc(cn1)Br 62a_100000686858_100000233755 [0,2,0,0,0,0|2,0,0]=4 6464 B12R1.1 COCCSc1ccc(cn1)C 62a_100000233755_100000754016 [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.1 COCCSc1ccc(cn1)C 62a_100011192072_100000233755 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100000233755_100011356976 [0,2,0,0,0,0|2,0,0]=4 6467 B12R1.1 COCCSc1ccc(cn1)Cl 62a_100011356976_100000233755 [0,2,0,0,0,0|2,0,0]=4 6468 B12R1.1 COCCSc1ccc(cn1)F 62a_100000233755_100000744514 [0,2,0,0,0,0|2,0,0]=4 6469 B12R1.1 COCCSc1ccc(cn1)F 62a_100000744514_100000233755 [0,2,0,0,0,0|2,0,0]=4 6470 B12R1.1 COCCSc1ccc(cn1)N 62a_100000233755_100000737798 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.1 COCCSc1ccc(cn1)N 62a_100000737798_100000233755 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.1 COCCSc1ccc(cn1)O 62a_100000233755_100000744096 [0,2,0,0,0,0|2,0,0]=4 6473 B12R1.1 COCCSc1ccc(cn1)O 62a_100000685995_100000233755 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.1 COCCSc1ccc(nc1)Br 62a_100000233755_100009814638 [0,2,0,0,0,0|2,0,0]=4 6475 B12R1.1 COCCSc1ccc(nc1)Br 62a_100009814638_100000233755 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.1 COCCSc1ccc(nc1)C 62a_100000233755_100000751577 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.1 COCCSc1ccc(nc1)C 62a_100000751577_100000233755 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.1 COCCSc1ccc(nc1)Cl 62a_100000034144_100000233755 [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.1 COCCSc1ccc(nc1)Cl 62a_100000233755_100000034144 [0,2,0,0,0,0|2,0,0]=4 6480 B12R1.1 COCCSc1ccc(nc1)F 62a_100000042367_100000233755 [0,2,0,0,0,0|2,0,0]=4 6481 B12R1.1 COCCSc1ccc(nc1)F 62a_100000233755_100000042367 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.1 COCCSc1ccc(nc1)N 62a_100000187370_100000233755 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.1 COCCSc1ccc(nc1)N 62a_100000233755_100000187370 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,2,0,0,0,0|1,0,0]=3 6485 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,2,0,0,0,0|1,0,0]=3 6486 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,2,0,0,0,0|1,0,0]=3 6487 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,2,0,0,0,0|1,0,0]=3 6488 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,2,0,0,0,0|1,0,0]=3 6489 B12R1.1 COCNCc1ccc(nc1)Br 2230a_100009817727_100000766300 [0,2,0,0,0,0|2,0,0]=4 6490 B12R1.1 COCNCc1ccc(nc1)Cl 2230a_100000735879_100000766300 [0,2,0,0,0,0|2,0,0]=4 6491 B12R1.1 COCNCc1ccc(nc1)F 2230a_100000101913_100000766300 [0,2,0,0,0,0|2,0,0]=4 6492 B12R1.1 COCNCc1ccc(nc1)O 2230a_100000757128_100000766300 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,2,0,0,0,0|1,0,0]=3 6494 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,2,0,0,0,0|1,0,0]=3 6495 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,2,0,0,0,0|1,0,0]=3 6496 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,2,0,0,0,0|1,0,0]=3 6497 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,2,0,0,0,0|1,0,0]=3 6498 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,2,0,0,0,0|1,0,0]=3 6499 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,2,0,0,0,0|1,0,0]=3 6500 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,2,0,0,0,0|1,0,0]=3 6501 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,2,0,0,0,0|1,0,0]=3 6502 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,2,0,0,0,0|1,0,0]=3 6503 B12R1.1 COCSCc1ccc(cn1)Br 62a_100000702658_100000766300 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.1 COCSCc1ccc(cn1)Br 62a_100000766300_100000702658 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.1 COCSCc1ccc(cn1)C 62a_100000691093_100000766300 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.1 COCSCc1ccc(cn1)C 62a_100000766300_100000691093 [0,2,0,0,0,0|2,0,0]=4 6507 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100000766300_100000697101 [0,2,0,0,0,0|2,0,0]=4 6508 B12R1.1 COCSCc1ccc(cn1)Cl 62a_100012066911_100000766300 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.1 COCSCc1ccc(cn1)F 62a_100000703193_100000766300 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.1 COCSCc1ccc(cn1)F 62a_100000766300_100000703193 [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.1 COCSCc1ccc(nc1)Br 62a_100000766300_100009831999 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.1 COCSCc1ccc(nc1)Br 62a_100009831999_100000766300 [0,2,0,0,0,0|2,0,0]=4 6513 B12R1.1 COCSCc1ccc(nc1)C 62a_100000766300_100016987292 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.1 COCSCc1ccc(nc1)C 62a_100016987292_100000766300 [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.1 COCSCc1ccc(nc1)Cl 62a_100000735431_100000766300 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.1 COCSCc1ccc(nc1)Cl 62a_100000766300_100000735431 [0,2,0,0,0,0|2,0,0]=4 6517 B12R1.1 COCSCc1ccc(nc1)F 62a_100000766300_100000099788 [0,2,0,0,0,0|2,0,0]=4 6518 B12R1.1 COCSCc1ccc(nc1)F 62a_100009820150_100000766300 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,2,0,0,0,0|0,1,0]=3 6520 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,2,0,0,0,0|0,1,0]=3 6521 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,2,0,0,0,0|0,1,0]=3 6522 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,2,0,0,0,0|0,1,0]=3 6523 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,2,0,0,0,0|0,1,0]=3 6524 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,2,0,0,0,0|0,1,0]=3 6525 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [0,2,0,0,0,0|1,1,0]=4 6526 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [0,2,0,0,0,0|1,1,0]=4 6527 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,2,0,0,0,0|1,1,0]=4 6528 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [0,2,0,0,0,0|1,1,0]=4 6529 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [0,2,0,0,0,0|1,1,0]=4 6530 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [0,2,0,0,0,0|1,1,0]=4 6531 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [0,2,0,0,0,0|1,1,0]=4 6532 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,2,0,0,0,0|1,1,0]=4 6533 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,2,0,0,0,0|1,1,0]=4 6534 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,2,0,0,0,0|1,1,0]=4 6535 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,2,0,0,0,0|1,1,0]=4 6536 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,2,0,0,0,0|1,1,0]=4 6537 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,2,0,0,0,0|1,1,0]=4 6538 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,2,0,0,0,0|1,1,0]=4 6539 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,2,0,0,0,0|1,1,0]=4 6540 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,2,0,0,0,0|1,1,0]=4 6541 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,2,0,0,0,0|1,1,0]=4 6542 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,2,0,0,0,0|1,1,0]=4 6543 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,2,0,0,0,0|1,1,0]=4 6544 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,2,0,0,0,0|1,1,0]=4 6545 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,2,0,0,0,0|1,1,0]=4 6546 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,2,0,0,0,0|1,1,0]=4 6547 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,2,0,0,0,0|1,1,0]=4 6548 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,2,0,0,0,0|1,1,0]=4 6549 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,2,0,0,0,0|1,1,0]=4 6550 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,2,0,0,0,0|1,1,0]=4 6551 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [0,2,0,0,0,0|1,1,0]=4 6552 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [0,2,0,0,0,0|1,1,0]=4 6553 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,2,0,0,0,0|1,1,0]=4 6554 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,2,0,0,0,0|1,1,0]=4 6555 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [0,2,0,0,0,0|1,1,0]=4 6556 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [0,2,0,0,0,0|1,1,0]=4 6557 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [0,2,0,0,0,0|1,1,0]=4 6558 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [0,2,0,0,0,0|1,1,0]=4 6559 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [0,2,0,0,0,0|1,1,0]=4 6560 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [0,2,0,0,0,0|1,1,0]=4 6561 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,2,0,0,0,0|1,1,0]=4 6562 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [0,2,0,0,0,0|1,1,0]=4 6563 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [0,2,0,0,0,0|1,1,0]=4 6564 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,2,0,0,0,0|1,1,0]=4 6565 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,2,0,0,0,0|1,1,0]=4 6566 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,2,0,0,0,0|1,1,0]=4 6567 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,2,0,0,0,0|1,1,0]=4 6568 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [0,2,0,0,0,0|1,1,0]=4 6569 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [0,2,0,0,0,0|1,1,0]=4 6570 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [0,2,0,0,0,0|1,1,0]=4 6571 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [0,2,0,0,0,0|1,1,0]=4 6572 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,2,0,0,0,0|1,1,0]=4 6573 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,2,0,0,0,0|1,1,0]=4 6574 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,2,0,0,0,0|1,1,0]=4 6575 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,2,0,0,0,0|1,1,0]=4 6576 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,2,0,0,0,0|1,1,0]=4 6577 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,2,0,0,0,0|1,1,0]=4 6578 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,2,0,0,0,0|1,1,0]=4 6579 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100000189115_100011218213 [0,2,0,0,0,0|1,1,0]=4 6580 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100011218213_100000189115 [0,2,0,0,0,0|1,1,0]=4 6581 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [0,2,0,0,0,0|1,1,0]=4 6582 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [0,2,0,0,0,0|1,1,0]=4 6583 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [0,2,0,0,0,0|1,1,0]=4 6584 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [0,2,0,0,0,0|1,1,0]=4 6585 B12R1.1 CSCSCc1ccc(cc1)F 62a_100000198546_100011218213 [0,2,0,0,0,0|1,1,0]=4 6586 B12R1.1 CSCSCc1ccc(cc1)F 62a_100011218213_100000187164 [0,2,0,0,0,0|1,1,0]=4 6587 B12R1.1 CSCSCc1ccc(cc1)I 62a_100000189116_100011218213 [0,2,0,0,0,0|1,1,0]=4 6588 B12R1.1 CSCSCc1ccc(cc1)I 62a_100011218213_100000189116 [0,2,0,0,0,0|1,1,0]=4 6589 B12R1.1 C[n+]1ccc(cc1)COCCF 34a_100009831711_100011217306 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.1 C[n+]1ccc(cc1)COCCO 34a_100009831711_100000211926 [0,2,0,0,0,0|1,0,0]=3 6591 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 34a_100000696136_200025704644 [0,2,0,0,0,0|0,0,2]=4 6592 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 7a_100000696136_200025704644 [0,2,0,0,0,0|0,0,2]=4 6593 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,2,0,0,0,0|1,0,0]=3 6594 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,2,0,0,0,0|1,0,0]=3 6595 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,2,0,0,0,0|0,0,0]=2 6596 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,2,0,0,0,0|0,0,0]=2 6597 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,2,0,0,0,0|1,0,0]=3 6598 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,2,0,0,0,0|1,0,0]=3 6599 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,2,0,0,0,0|1,0,0]=3 6600 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,2,0,0,0,0|1,0,0]=3 6601 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,2,0,0,0,0|1,0,0]=3 6602 B12R1.1 Cc1ccc(cc1)CNCC#N 2230a_100000174908_100011215382 [0,2,0,0,0,0|1,0,1]=4 6603 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|0,0,2]=4 6604 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|0,0,2]=4 6605 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,2,0,0,0,0|1,0,0]=3 6606 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,2,0,0,0,0|1,0,0]=3 6607 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,2,0,0,0,0|1,0,0]=3 6608 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,2,0,0,0,0|0,0,0]=2 6609 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,2,0,0,0,0|0,0,0]=2 6610 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,2,0,0,0,0|0,0,0]=2 6611 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,2,0,0,0,0|0,0,0]=2 6612 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,2,0,0,0,0|0,0,0]=2 6613 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,2,0,0,0,0|0,0,0]=2 6614 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,2,0,0,0,0|1,0,1]=4 6615 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|0,0,2]=4 6616 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|0,0,2]=4 6617 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,2,0,0,0,0|1,0,0]=3 6618 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,2,0,0,0,0|1,0,0]=3 6619 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,2,0,0,0,0|1,0,0]=3 6620 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,2,0,0,0,0|1,0,0]=3 6621 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,2,0,0,0,0|0,0,0]=2 6622 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,2,0,0,0,0|0,0,0]=2 6623 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100000210814_100011215382 [0,2,0,0,0,0|1,0,1]=4 6624 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100011215382_100000210814 [0,2,0,0,0,0|1,0,1]=4 6625 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|0,0,2]=4 6626 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|0,0,2]=4 6627 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [0,2,0,0,0,0|1,0,0]=3 6628 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [0,2,0,0,0,0|1,0,0]=3 6629 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,2,0,0,0,0|0,0,0]=2 6630 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,2,0,0,0,0|0,0,0]=2 6631 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [0,2,0,0,0,0|1,0,0]=3 6632 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,2,0,0,0,0|0,0,0]=2 6633 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,2,0,0,0,0|1,0,1]=4 6634 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,2,0,0,0,0|1,0,0]=3 6635 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,2,0,0,0,0|1,0,0]=3 6636 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,2,0,0,0,0|0,0,0]=2 6637 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,2,0,0,0,0|0,0,0]=2 6638 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,2,0,0,0,0|2,0,0]=4 6639 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,2,0,0,0,0|1,0,0]=3 6641 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,2,0,0,0,0|1,0,0]=3 6642 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,2,0,0,0,0|1,1,0]=4 6643 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,2,0,0,0,0|1,1,0]=4 6644 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100000186775_100011215226 [0,2,0,0,0,0|1,0,1]=4 6645 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100011215226_100000186775 [0,2,0,0,0,0|1,0,1]=4 6646 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [0,2,0,0,0,0|1,0,0]=3 6647 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [0,2,0,0,0,0|1,0,0]=3 6648 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,2,0,0,0,0|0,0,0]=2 6649 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,2,0,0,0,0|0,0,0]=2 6650 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,2,0,0,0,0|2,0,0]=4 6651 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,2,0,0,0,0|1,0,0]=3 6652 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,2,0,0,0,0|1,0,0]=3 6653 B12R1.1 Cc1ccc(cn1)CCOCF 34a_100011815783_100015361967 [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.1 Cc1ccc(cn1)CNCCF 34a_100000724931_100016987292 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.1 Cc1ccc(cn1)CNCCF 34a_100000740942_100011217306 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.1 Cc1ccc(cn1)CNCCO 2230a_100016997473_100016987292 [0,2,0,0,0,0|1,0,0]=3 6657 B12R1.1 Cc1ccc(cn1)CNCCO 270004a_100000210304_100000743784 [0,2,0,0,0,0|1,0,0]=3 6658 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100000740942_100000211926 [0,2,0,0,0,0|1,0,0]=3 6659 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100016990907_100016987292 [0,2,0,0,0,0|1,0,0]=3 6660 B12R1.1 Cc1ccc(cn1)COCCBr 34a_100000211926_100016987292 [0,2,0,0,0,0|2,0,0]=4 6661 B12R1.1 Cc1ccc(cn1)COCCF 34a_100011248133_100011217306 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.1 Cc1ccc(cn1)COCCN 34a_100000210304_100016987292 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.1 Cc1ccc(cn1)COCCO 34a_100011248133_100000211926 [0,2,0,0,0,0|1,0,0]=3 6664 B12R1.1 Cc1ccc(cn1)CSCCF 62a_100011217306_100016987292 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.1 Cc1ccc(cn1)CSCCF 62a_100016987292_100011217306 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100000211926_100016987292 [0,2,0,0,0,0|1,0,0]=3 6667 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100016987292_100000211926 [0,2,0,0,0,0|1,0,0]=3 6668 B12R1.1 Cc1ccc(cn1)OCCCF 34a_100000745506_100011934791 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.1 Cc1ccc(cn1)OCCCF 7a_100000745506_100011934791 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [0,2,0,0,0,0|1,0,0]=3 6671 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [0,2,0,0,0,0|1,0,0]=3 6672 B12R1.1 Cc1ccc(cn1)SCCCF 62a_100000751577_100011934791 [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.1 Cc1ccc(cn1)SCCCF 62a_100011934791_100000751577 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100000751577_100011215043 [0,2,0,0,0,0|1,0,0]=3 6675 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100011215043_100000751577 [0,2,0,0,0,0|1,0,0]=3 6676 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100000724931_100000691093 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.1 Cc1ccc(nc1)CNCCF 34a_100015187455_100011217306 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [0,2,0,0,0,0|1,0,0]=3 6679 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [0,2,0,0,0,0|1,0,0]=3 6680 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [0,2,0,0,0,0|1,0,0]=3 6681 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [0,2,0,0,0,0|1,0,0]=3 6683 B12R1.1 Cc1ccc(nc1)COCCBr 34a_100000211926_100000691093 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.1 Cc1ccc(nc1)COCCF 34a_100012001401_100011217306 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.1 Cc1ccc(nc1)COCCN 34a_100000210304_100000691093 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [0,2,0,0,0,0|1,0,0]=3 6687 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100000691093_100011217306 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.1 Cc1ccc(nc1)CSCCF 62a_100011217306_100000691093 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [0,2,0,0,0,0|1,0,0]=3 6690 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [0,2,0,0,0,0|1,0,0]=3 6691 B12R1.1 Cc1ccc(nc1)OCCCF 34a_100000759353_100011934791 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [0,2,0,0,0,0|1,0,0]=3 6693 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011192072_100011934791 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.1 Cc1ccc(nc1)SCCCF 62a_100011934791_100000754016 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [0,2,0,0,0,0|1,0,0]=3 6696 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [0,2,0,0,0,0|1,0,0]=3 6697 B12R1.1 Cc1ccc(nn1)NCCCO 27a_100000182051_100000744512 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.1 Cc1ccc(nn1)SCCCO 62a_100000744512_100011215043 [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.1 Cc1ccc(nn1)SCCCO 62a_100011215043_100000744512 [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.1 Cc1cnc(cn1)CNCCO 2230a_100016997473_100000752025 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.1 Cc1cnc(cn1)CNCCO 270004a_100000210304_100000685221 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.1 Cc1cnc(cn1)CNCCO 34a_100132314150_100000211926 [0,2,0,0,0,0|2,0,0]=4 6703 B12R1.1 Cc1cnc(cn1)COCCO 34a_100011273949_100000211926 [0,2,0,0,0,0|2,0,0]=4 6704 B12R1.1 Cc1cnc(cn1)CSCCO 62a_100000211926_100000752025 [0,2,0,0,0,0|2,0,0]=4 6705 B12R1.1 Cc1cnc(cn1)CSCCO 62a_100000752025_100000211926 [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.1 Cc1cnc(cn1)NCCCO 27a_100000182051_100000074397 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.1 Cc1cnc(cn1)SCCCO 62a_100011215043_100011999403 [0,2,0,0,0,0|2,0,0]=4 6708 B12R1.1 Cc1cnc(cn1)SCCCO 62a_100011999403_100011215043 [0,2,0,0,0,0|2,0,0]=4 6709 B12R1.1 Cc1cnc(nc1)CNCCO 2230a_100016997473_100000685645 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.1 Cc1cnc(nc1)CNCCO 34a_100016990907_100000685645 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.1 Cc1cnc(nc1)CSCCO 62a_100000211926_100000685645 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.1 Cc1cnc(nc1)CSCCO 62a_100000685645_100000211926 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.1 Cc1cnc(nc1)NCCCO 27a_100000182051_100000061069 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.1 Cc1cnc(nc1)SCCCO 62a_100000061069_100011215043 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.1 Cc1cnc(nc1)SCCCO 62a_100011215043_100000061069 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.1 Cc1ncc(cn1)CNCCO 270004a_100000210304_100011202771 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.1 Cc1ncc(cn1)COCCO 34a_100011746891_100000211926 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.1 Cc1ncc(cn1)OCCCO 34a_100000062939_100000230001 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.1 Cc1ncc(cn1)OCCCO 7a_100000062939_100011215043 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.1 Cc1ncc(cn1)SCCCO 62a_100000686985_100011215043 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.1 Cc1ncc(cn1)SCCCO 62a_100011215043_100000686985 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,2,0,0,0,0|1,0,0]=3 6723 B12R1.1 Clc1ccc(cn1)COCCBr 34a_100000211926_100000735431 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.1 Clc1ccc(nc1)COCCBr 34a_100000211926_100012066911 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [0,2,0,0,0,0|1,0,0]=3 6726 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [0,2,0,0,0,0|1,0,0]=3 6727 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [0,2,0,0,0,0|1,0,0]=3 6728 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [0,2,0,0,0,0|1,0,0]=3 6729 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [0,2,0,0,0,0|1,0,0]=3 6730 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [0,2,0,0,0,0|1,0,0]=3 6731 B12R1.1 FCCCNc1ccc(cn1)Br 27a_100015189416_100000686858 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,2,0,0,0,0|1,0,0]=3 6733 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,2,0,0,0,0|1,0,0]=3 6734 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,2,0,0,0,0|1,0,0]=3 6735 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,2,0,0,0,0|1,0,0]=3 6736 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,2,0,0,0,0|1,0,0]=3 6737 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,2,0,0,0,0|1,0,0]=3 6738 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,2,0,0,0,0|1,0,0]=3 6739 B12R1.1 FCCCOc1ccc(cn1)Cl 34a_100011215309_100011934791 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.1 FCCCOc1ccc(cn1)F 34a_100000742473_100011934791 [0,2,0,0,0,0|2,0,0]=4 6741 B12R1.1 FCCCOc1ccc(nc1)Br 34a_100000685995_100011934791 [0,2,0,0,0,0|2,0,0]=4 6742 B12R1.1 FCCCOc1ccc(nc1)Br 7a_100000685995_100011934791 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.1 FCCCOc1ccc(nc1)Cl 34a_100000744096_100011934791 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.1 FCCCOc1ccc(nc1)Cl 7a_100000744096_100011934791 [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.1 FCCCOc1ccc(nc1)F 34a_100000688820_100011934791 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.1 FCCCOc1ccc(nc1)F 7a_100000688820_100011934791 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.1 FCCCOc1ccc(nc1)I 34a_100000687607_100011934791 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.1 FCCCOc1ccc(nc1)I 7a_100000687607_100011934791 [0,2,0,0,0,0|2,0,0]=4 6749 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [0,2,0,0,0,0|1,0,0]=3 6750 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [0,2,0,0,0,0|1,0,0]=3 6751 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [0,2,0,0,0,0|1,0,0]=3 6752 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [0,2,0,0,0,0|1,0,0]=3 6753 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [0,2,0,0,0,0|1,0,0]=3 6754 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [0,2,0,0,0,0|1,0,0]=3 6755 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100000686858_100011934791 [0,2,0,0,0,0|2,0,0]=4 6756 B12R1.1 FCCCSc1ccc(cn1)Br 62a_100011934791_100000686858 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011356976_100011934791 [0,2,0,0,0,0|2,0,0]=4 6758 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011934791_100011356976 [0,2,0,0,0,0|2,0,0]=4 6759 B12R1.1 FCCCSc1ccc(cn1)F 62a_100000744514_100011934791 [0,2,0,0,0,0|2,0,0]=4 6760 B12R1.1 FCCCSc1ccc(cn1)F 62a_100011934791_100000744514 [0,2,0,0,0,0|2,0,0]=4 6761 B12R1.1 FCCCSc1ccc(nc1)Br 62a_100009814638_100011934791 [0,2,0,0,0,0|2,0,0]=4 6762 B12R1.1 FCCCSc1ccc(nc1)Br 62a_100011934791_100009814638 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100000034144_100011934791 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100011934791_100000034144 [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.1 FCCCSc1ccc(nc1)F 62a_100000042367_100011934791 [0,2,0,0,0,0|2,0,0]=4 6766 B12R1.1 FCCCSc1ccc(nc1)F 62a_100011934791_100000042367 [0,2,0,0,0,0|2,0,0]=4 6767 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,2,0,0,0,0|1,0,0]=3 6768 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,2,0,0,0,0|1,0,0]=3 6769 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,2,0,0,0,0|1,0,0]=3 6770 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,2,0,0,0,0|1,0,0]=3 6771 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,2,0,0,0,0|1,0,0]=3 6772 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,2,0,0,0,0|1,0,0]=3 6773 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,2,0,0,0,0|1,0,0]=3 6774 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,2,0,0,0,0|1,0,0]=3 6775 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,2,0,0,0,0|1,0,0]=3 6776 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,2,0,0,0,0|1,0,0]=3 6778 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,2,0,0,0,0|1,0,0]=3 6779 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100000724931_100000702658 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.1 FCCNCc1ccc(cn1)Br 34a_100015188789_100011217306 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000697193_100011217306 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.1 FCCNCc1ccc(cn1)Cl 34a_100000724931_100012066911 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.1 FCCNCc1ccc(cn1)F 34a_100000724931_100000703193 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.1 FCCNCc1ccc(cn1)F 34a_100020620131_100011217306 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.1 FCCNCc1ccc(nc1)Br 2230a_100009817727_100011217306 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.1 FCCNCc1ccc(nc1)Br 34a_100000724931_100009831999 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.1 FCCNCc1ccc(nc1)Br 34a_100009817727_100011217306 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.1 FCCNCc1ccc(nc1)Cl 2230a_100000735879_100011217306 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000724931_100000735431 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000735879_100011217306 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.1 FCCNCc1ccc(nc1)F 2230a_100000101913_100011217306 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.1 FCCNCc1ccc(nc1)F 34a_100000101913_100011217306 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.1 FCCNCc1ccc(nc1)F 34a_100000724931_100000099788 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,2,0,0,0,0|1,0,0]=3 6795 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,2,0,0,0,0|1,0,0]=3 6796 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,2,0,0,0,0|1,0,0]=3 6797 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,2,0,0,0,0|1,0,0]=3 6798 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,2,0,0,0,0|1,0,0]=3 6799 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,2,0,0,0,0|1,0,0]=3 6800 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,2,0,0,0,0|1,0,0]=3 6801 B12R1.1 FCCOCc1ccc(cn1)Br 34a_100000754261_100011217306 [0,2,0,0,0,0|2,0,0]=4 6802 B12R1.1 FCCOCc1ccc(cn1)Cl 34a_100000703999_100011217306 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.1 FCCOCc1ccc(cn1)F 34a_100011999454_100011217306 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.1 FCCOCc1ccc(nc1)Br 34a_100009816760_100011217306 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.1 FCCOCc1ccc(nc1)Br 7a_100009816760_100011217306 [0,2,0,0,0,0|2,0,0]=4 6806 B12R1.1 FCCOCc1ccc(nc1)Cl 34a_100000755211_100011217306 [0,2,0,0,0,0|2,0,0]=4 6807 B12R1.1 FCCOCc1ccc(nc1)Cl 7a_100000755211_100011217306 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.1 FCCOCc1ccc(nc1)F 34a_100000079959_100011217306 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100000189115_100011217306 [0,2,0,0,0,0|1,0,0]=3 6810 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100011217306_100000189115 [0,2,0,0,0,0|1,0,0]=3 6811 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [0,2,0,0,0,0|1,0,0]=3 6812 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [0,2,0,0,0,0|1,0,0]=3 6813 B12R1.1 FCCSCc1ccc(cc1)F 62a_100000198546_100011217306 [0,2,0,0,0,0|1,0,0]=3 6814 B12R1.1 FCCSCc1ccc(cc1)F 62a_100011217306_100000187164 [0,2,0,0,0,0|1,0,0]=3 6815 B12R1.1 FCCSCc1ccc(cc1)I 62a_100000189116_100011217306 [0,2,0,0,0,0|1,0,0]=3 6816 B12R1.1 FCCSCc1ccc(cc1)I 62a_100011217306_100000189116 [0,2,0,0,0,0|1,0,0]=3 6817 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100000702658_100011217306 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.1 FCCSCc1ccc(cn1)Br 62a_100011217306_100000702658 [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100011217306_100000697101 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.1 FCCSCc1ccc(cn1)Cl 62a_100012066911_100011217306 [0,2,0,0,0,0|2,0,0]=4 6821 B12R1.1 FCCSCc1ccc(cn1)F 62a_100000703193_100011217306 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.1 FCCSCc1ccc(cn1)F 62a_100011217306_100000703193 [0,2,0,0,0,0|2,0,0]=4 6823 B12R1.1 FCCSCc1ccc(nc1)Br 62a_100009831999_100011217306 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.1 FCCSCc1ccc(nc1)Br 62a_100011217306_100009831999 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100000735431_100011217306 [0,2,0,0,0,0|2,0,0]=4 6826 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100011217306_100000735431 [0,2,0,0,0,0|2,0,0]=4 6827 B12R1.1 FCCSCc1ccc(nc1)F 62a_100009820150_100011217306 [0,2,0,0,0,0|2,0,0]=4 6828 B12R1.1 FCCSCc1ccc(nc1)F 62a_100011217306_100000099788 [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,2,0,0,0,0|1,0,0]=3 6830 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,2,0,0,0,0|1,0,0]=3 6831 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,2,0,0,0,0|1,0,0]=3 6832 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [0,2,0,0,0,0|1,0,0]=3 6834 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [0,2,0,0,0,0|1,0,0]=3 6835 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [0,2,0,0,0,0|1,0,0]=3 6836 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [0,2,0,0,0,0|1,0,0]=3 6838 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [0,2,0,0,0,0|1,0,0]=3 6839 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.1 FCOCCc1ccc(cn1)Br 34a_100012357577_100015361967 [0,2,0,0,0,0|2,0,0]=4 6841 B12R1.1 FCOCCc1ccc(nc1)Cl 34a_100009880866_100015361967 [0,2,0,0,0,0|2,0,0]=4 6842 B12R1.1 FCOCCc1ccc(nc1)Cl 7a_100009880866_100015361967 [0,2,0,0,0,0|2,0,0]=4 6843 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [0,2,0,0,0,0|1,0,0]=3 6848 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [0,2,0,0,0,0|1,0,0]=3 6849 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,2,0,0,0,0|1,0,0]=3 6850 B12R1.1 Fc1ccc(cn1)COCCBr 34a_100000211926_100000099788 [0,2,0,0,0,0|2,0,0]=4 6851 B12R1.1 Fc1ccc(nc1)COCCBr 34a_100000211926_100000703193 [0,2,0,0,0,0|2,0,0]=4 6852 B12R1.1 N#CCCNc1ccc(cc1)Br 2230a_100000210018_100011215226 [0,2,0,0,0,0|1,0,1]=4 6853 B12R1.1 N#CCCNc1ccc(cc1)Cl 2230a_100000210052_100011215226 [0,2,0,0,0,0|1,0,1]=4 6854 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [0,2,0,0,0,0|1,0,1]=4 6855 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [0,2,0,0,0,0|1,0,1]=4 6856 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [0,2,0,0,0,0|1,0,1]=4 6857 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,2,0,0,0,0|1,0,1]=4 6858 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100000752885_100011215226 [0,2,0,0,0,0|1,0,1]=4 6859 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100011215226_100000752885 [0,2,0,0,0,0|1,0,1]=4 6860 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100000755918_100011215226 [0,2,0,0,0,0|1,0,1]=4 6861 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100011215226_100000755918 [0,2,0,0,0,0|1,0,1]=4 6862 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100000211213_100011215226 [0,2,0,0,0,0|1,0,1]=4 6863 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100011215226_100000211213 [0,2,0,0,0,0|1,0,1]=4 6864 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100000185761_100011215226 [0,2,0,0,0,0|1,0,1]=4 6865 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100011215226_100000185761 [0,2,0,0,0,0|1,0,1]=4 6866 B12R1.1 N#CCCSc1ccc(cc1)O 62a_100011215226_100000185759 [0,2,0,0,0,0|1,0,1]=4 6867 B12R1.1 N#CCNCc1ccc(cc1)Br 2230a_100000174875_100011215382 [0,2,0,0,0,0|1,0,1]=4 6868 B12R1.1 N#CCNCc1ccc(cc1)Cl 2230a_100000174871_100011215382 [0,2,0,0,0,0|1,0,1]=4 6869 B12R1.1 N#CCNCc1ccc(cc1)F 2230a_100000174882_100011215382 [0,2,0,0,0,0|1,0,1]=4 6870 B12R1.1 N#CCNCc1ccc(cc1)I 2230a_100016989417_100011215382 [0,2,0,0,0,0|1,0,1]=4 6871 B12R1.1 N#CCOCc1ccc(cc1)Cl 7a_100000211118_100011215382 [0,2,0,0,0,0|1,0,1]=4 6872 B12R1.1 N#CCOCc1ccc(cc1)F 7a_100000210977_100011215382 [0,2,0,0,0,0|1,0,1]=4 6873 B12R1.1 N#CCOCc1ccc(cc1)I 7a_100000690907_100011215382 [0,2,0,0,0,0|1,0,1]=4 6874 B12R1.1 N#CCSCc1ccc(cc1)Br 62a_100000189115_100011215382 [0,2,0,0,0,0|1,0,1]=4 6875 B12R1.1 N#CCSCc1ccc(cc1)Br 62a_100011215382_100000189115 [0,2,0,0,0,0|1,0,1]=4 6876 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100000187161_100011215382 [0,2,0,0,0,0|1,0,1]=4 6877 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100011215382_100000187161 [0,2,0,0,0,0|1,0,1]=4 6878 B12R1.1 N#CCSCc1ccc(cc1)F 62a_100000198546_100011215382 [0,2,0,0,0,0|1,0,1]=4 6879 B12R1.1 N#CCSCc1ccc(cc1)F 62a_100011215382_100000187164 [0,2,0,0,0,0|1,0,1]=4 6880 B12R1.1 N#CCSCc1ccc(cc1)I 62a_100000189116_100011215382 [0,2,0,0,0,0|1,0,1]=4 6881 B12R1.1 N#CCSCc1ccc(cc1)I 62a_100011215382_100000189116 [0,2,0,0,0,0|1,0,1]=4 6882 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,2,0,0,0,0|1,0,0]=3 6883 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,2,0,0,0,0|1,0,0]=3 6884 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,2,0,0,0,0|1,0,0]=3 6885 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,2,0,0,0,0|1,0,0]=3 6886 B12R1.1 NCCOCc1ccc(cn1)Br 34a_100000210304_100000702658 [0,2,0,0,0,0|2,0,0]=4 6887 B12R1.1 NCCOCc1ccc(cn1)Cl 34a_100000210304_100012066911 [0,2,0,0,0,0|2,0,0]=4 6888 B12R1.1 NCCOCc1ccc(cn1)F 34a_100000210304_100000703193 [0,2,0,0,0,0|2,0,0]=4 6889 B12R1.1 NCCOCc1ccc(nc1)Br 34a_100000210304_100009831999 [0,2,0,0,0,0|2,0,0]=4 6890 B12R1.1 NCCOCc1ccc(nc1)Cl 34a_100000210304_100000735431 [0,2,0,0,0,0|2,0,0]=4 6891 B12R1.1 NCCOCc1ccc(nc1)F 34a_100000210304_100000099788 [0,2,0,0,0,0|2,0,0]=4 6892 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [0,2,0,0,0,0|1,0,0]=3 6893 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|0,0,2]=4 6894 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|1,0,0]=3 6895 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,2,0,0,0,0|0,0,0]=2 6896 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|1,0,0]=3 6897 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,2,0,0,0,0|0,0,0]=2 6898 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [0,2,0,0,0,0|1,0,0]=3 6899 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [0,2,0,0,0,0|1,0,0]=3 6900 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [0,2,0,0,0,0|0,0,0]=2 6901 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [0,2,0,0,0,0|0,0,0]=2 6902 B12R1.1 Nc1ccc(cn1)COCCF 34a_100000704267_100011217306 [0,2,0,0,0,0|2,0,0]=4 6903 B12R1.1 Nc1ccc(cn1)COCCO 34a_100000704267_100000211926 [0,2,0,0,0,0|1,0,0]=3 6904 B12R1.1 Nc1ccc(cn1)OCCCF 34a_100015188713_100011934791 [0,2,0,0,0,0|2,0,0]=4 6905 B12R1.1 Nc1ccc(cn1)OCCCF 7a_100015188713_100011934791 [0,2,0,0,0,0|2,0,0]=4 6906 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [0,2,0,0,0,0|1,0,0]=3 6907 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [0,2,0,0,0,0|1,0,0]=3 6908 B12R1.1 Nc1ccc(cn1)SCCCF 62a_100000187370_100011934791 [0,2,0,0,0,0|2,0,0]=4 6909 B12R1.1 Nc1ccc(cn1)SCCCF 62a_100011934791_100000187370 [0,2,0,0,0,0|2,0,0]=4 6910 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100000187370_100011215043 [0,2,0,0,0,0|1,0,0]=3 6911 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100011215043_100000187370 [0,2,0,0,0,0|1,0,0]=3 6912 B12R1.1 Nc1ccc(nc1)COCCF 34a_100011998161_100011217306 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [0,2,0,0,0,0|1,0,0]=3 6914 B12R1.1 Nc1ccc(nc1)OCCCF 34a_100000729260_100011934791 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [0,2,0,0,0,0|1,0,0]=3 6916 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100000737798_100011934791 [0,2,0,0,0,0|2,0,0]=4 6917 B12R1.1 Nc1ccc(nc1)SCCCF 62a_100011934791_100000737798 [0,2,0,0,0,0|2,0,0]=4 6918 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [0,2,0,0,0,0|1,0,0]=3 6919 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [0,2,0,0,0,0|1,0,0]=3 6920 B12R1.1 Nc1ccc(nn1)SCCCO 62a_100010219413_100011215043 [0,2,0,0,0,0|2,0,0]=4 6921 B12R1.1 Nc1ccc(nn1)SCCCO 62a_100011215043_100010219413 [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.1 Nc1cnc(cn1)SCCCO 62a_100000744751_100011215043 [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.1 Nc1cnc(cn1)SCCCO 62a_100011215043_100000744751 [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.1 Nc1cnc(nc1)SCCCO 62a_100000068403_100011215043 [0,2,0,0,0,0|2,0,0]=4 6925 B12R1.1 Nc1cnc(nc1)SCCCO 62a_100011215043_100000068403 [0,2,0,0,0,0|2,0,0]=4 6926 B12R1.1 Nc1ncc(cn1)OCCCO 34a_100000087137_100000230001 [0,2,0,0,0,0|2,0,0]=4 6927 B12R1.1 Nc1ncc(cn1)OCCCO 7a_100000087137_100011215043 [0,2,0,0,0,0|2,0,0]=4 6928 B12R1.1 Nc1ncc(cn1)SCCCO 62a_100000766020_100011215043 [0,2,0,0,0,0|2,0,0]=4 6929 B12R1.1 Nc1ncc(cn1)SCCCO 62a_100011215043_100000766020 [0,2,0,0,0,0|2,0,0]=4 6930 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|0,0,2]=4 6931 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|0,0,2]=4 6932 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|0,0,2]=4 6933 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|0,0,2]=4 6934 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|0,0,2]=4 6935 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|0,0,2]=4 6936 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|0,0,2]=4 6937 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|0,0,2]=4 6938 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|0,0,2]=4 6939 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|0,0,2]=4 6940 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|0,0,2]=4 6941 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|0,0,2]=4 6942 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|0,0,2]=4 6943 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|0,0,2]=4 6944 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|0,0,2]=4 6945 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|0,0,2]=4 6946 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|0,0,2]=4 6947 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|0,0,2]=4 6948 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|0,0,2]=4 6949 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|0,0,2]=4 6950 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|0,0,2]=4 6951 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|0,0,2]=4 6952 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|0,0,2]=4 6953 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|0,0,2]=4 6954 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|0,0,2]=4 6955 B12R1.1 O=c1ccc(c[nH]1)COCCF 34a_100011999846_100011217306 [0,2,0,0,0,0|2,0,0]=4 6956 B12R1.1 O=c1ccc(c[nH]1)COCCO 34a_100011999846_100000211926 [0,2,0,0,0,0|1,0,0]=3 6957 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [0,2,0,0,0,0|2,0,0]=4 6958 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [0,2,0,0,0,0|1,0,0]=3 6959 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100000212171_100011934791 [0,2,0,0,0,0|2,0,0]=4 6960 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100011934791_100000212171 [0,2,0,0,0,0|2,0,0]=4 6961 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [0,2,0,0,0,0|1,0,0]=3 6962 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [0,2,0,0,0,0|1,0,0]=3 6963 B12R1.1 O=c1ccc(n[nH]1)CNCCO 207a_100000210304_100011361533 [0,2,0,0,0,0|2,0,0]=4 6964 B12R1.1 O=c1ccc(n[nH]1)CNCCO 270004a_100000210304_100011361533 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100009820020_100011215043 [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100011215043_100009820020 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.1 O=c1ncc(c[nH]1)SCCCO 62a_100011215043_102495366499 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.1 O=c1ncc(c[nH]1)SCCCO 62a_102495366499_100011215043 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [0,2,0,0,0,0|0,0,0]=2 6970 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [0,2,0,0,0,0|0,0,0]=2 6971 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [0,2,0,0,0,0|0,0,0]=2 6972 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [0,2,0,0,0,0|0,0,0]=2 6973 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [0,2,0,0,0,0|0,0,0]=2 6974 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [0,2,0,0,0,0|0,0,0]=2 6975 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,2,0,0,0,0|0,0,0]=2 6976 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [0,2,0,0,0,0|1,0,0]=3 6977 B12R1.1 OCCCNc1cnc(cn1)Br 27a_100000182051_100010187541 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.1 OCCCNc1cnc(cn1)F 27a_100000182051_100009856528 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.1 OCCCNc1ncc(cn1)Br 27a_100000182051_100000690281 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.1 OCCCNc1ncc(cn1)Cl 27a_100000182051_100011356929 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.1 OCCCNc1ncc(cn1)F 27a_100000182051_100000685220 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,2,0,0,0,0|0,0,0]=2 6983 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,2,0,0,0,0|0,0,0]=2 6984 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,2,0,0,0,0|0,0,0]=2 6985 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,2,0,0,0,0|0,0,0]=2 6986 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,2,0,0,0,0|0,0,0]=2 6987 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,2,0,0,0,0|0,0,0]=2 6988 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,2,0,0,0,0|0,0,0]=2 6989 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,2,0,0,0,0|0,0,0]=2 6990 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [0,2,0,0,0,0|1,0,0]=3 6991 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [0,2,0,0,0,0|1,0,0]=3 6992 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [0,2,0,0,0,0|1,0,0]=3 6993 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [0,2,0,0,0,0|1,0,0]=3 6994 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [0,2,0,0,0,0|1,0,0]=3 6995 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [0,2,0,0,0,0|1,0,0]=3 6996 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [0,2,0,0,0,0|1,0,0]=3 6997 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [0,2,0,0,0,0|1,0,0]=3 6998 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [0,2,0,0,0,0|1,0,0]=3 6999 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [0,2,0,0,0,0|1,0,0]=3 7000 B12R1.1 OCCCOc1cnc(cn1)Br 34a_100011934580_100000230001 [0,2,0,0,0,0|2,0,0]=4 7001 B12R1.1 OCCCOc1cnc(cn1)Cl 34a_100015839800_100000230001 [0,2,0,0,0,0|2,0,0]=4 7002 B12R1.1 OCCCOc1cnc(nc1)Br 34a_100000730009_100000230001 [0,2,0,0,0,0|2,0,0]=4 7003 B12R1.1 OCCCOc1cnc(nc1)Br 7a_100000730009_100011215043 [0,2,0,0,0,0|2,0,0]=4 7004 B12R1.1 OCCCOc1cnc(nc1)Cl 34a_100000092845_100000230001 [0,2,0,0,0,0|2,0,0]=4 7005 B12R1.1 OCCCOc1cnc(nc1)Cl 7a_100000092845_100011215043 [0,2,0,0,0,0|2,0,0]=4 7006 B12R1.1 OCCCOc1cnc(nc1)F 34a_200009874573_100000230001 [0,2,0,0,0,0|2,0,0]=4 7007 B12R1.1 OCCCOc1cnc(nc1)F 7a_200009874573_100011215043 [0,2,0,0,0,0|2,0,0]=4 7008 B12R1.1 OCCCOc1ncc(cn1)F 34a_100011934040_100000230001 [0,2,0,0,0,0|2,0,0]=4 7009 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [0,2,0,0,0,0|0,0,0]=2 7010 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [0,2,0,0,0,0|0,0,0]=2 7011 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [0,2,0,0,0,0|0,0,0]=2 7012 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [0,2,0,0,0,0|0,0,0]=2 7013 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [0,2,0,0,0,0|0,0,0]=2 7014 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [0,2,0,0,0,0|0,0,0]=2 7015 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,2,0,0,0,0|0,0,0]=2 7016 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [0,2,0,0,0,0|1,0,0]=3 7017 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [0,2,0,0,0,0|1,0,0]=3 7018 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [0,2,0,0,0,0|1,0,0]=3 7019 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [0,2,0,0,0,0|1,0,0]=3 7020 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [0,2,0,0,0,0|1,0,0]=3 7021 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [0,2,0,0,0,0|1,0,0]=3 7022 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [0,2,0,0,0,0|1,0,0]=3 7023 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [0,2,0,0,0,0|1,0,0]=3 7024 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100009814638_100011215043 [0,2,0,0,0,0|1,0,0]=3 7025 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100011215043_100009814638 [0,2,0,0,0,0|1,0,0]=3 7026 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100000034144_100011215043 [0,2,0,0,0,0|1,0,0]=3 7027 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100011215043_100000034144 [0,2,0,0,0,0|1,0,0]=3 7028 B12R1.1 OCCCSc1ccc(nc1)F 62a_100000042367_100011215043 [0,2,0,0,0,0|1,0,0]=3 7029 B12R1.1 OCCCSc1ccc(nc1)F 62a_100011215043_100000042367 [0,2,0,0,0,0|1,0,0]=3 7030 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100000068654_100011215043 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100011215043_100000068654 [0,2,0,0,0,0|2,0,0]=4 7032 B12R1.1 OCCCSc1cnc(cn1)Br 62a_100010187541_100011215043 [0,2,0,0,0,0|2,0,0]=4 7033 B12R1.1 OCCCSc1cnc(cn1)Br 62a_100011215043_100010187541 [0,2,0,0,0,0|2,0,0]=4 7034 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100010214907_100011215043 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100011215043_100010214907 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.1 OCCCSc1cnc(cn1)F 62a_100009856528_100011215043 [0,2,0,0,0,0|2,0,0]=4 7037 B12R1.1 OCCCSc1cnc(cn1)F 62a_100011215043_100009856528 [0,2,0,0,0,0|2,0,0]=4 7038 B12R1.1 OCCCSc1cnc(cn1)O 62a_100011215043_100015839800 [0,2,0,0,0,0|2,0,0]=4 7039 B12R1.1 OCCCSc1cnc(cn1)O 62a_100011934580_100011215043 [0,2,0,0,0,0|2,0,0]=4 7040 B12R1.1 OCCCSc1cnc(nc1)Br 62a_100011215043_200012349914 [0,2,0,0,0,0|2,0,0]=4 7041 B12R1.1 OCCCSc1cnc(nc1)Br 62a_200012349914_100011215043 [0,2,0,0,0,0|2,0,0]=4 7042 B12R1.1 OCCCSc1cnc(nc1)Cl 62a_100000059775_100011215043 [0,2,0,0,0,0|2,0,0]=4 7043 B12R1.1 OCCCSc1cnc(nc1)Cl 62a_100011215043_100000059775 [0,2,0,0,0,0|2,0,0]=4 7044 B12R1.1 OCCCSc1cnc(nc1)F 62a_100000685262_100011215043 [0,2,0,0,0,0|2,0,0]=4 7045 B12R1.1 OCCCSc1cnc(nc1)F 62a_100011215043_100000685262 [0,2,0,0,0,0|2,0,0]=4 7046 B12R1.1 OCCCSc1ncc(cn1)Br 62a_100000690281_100011215043 [0,2,0,0,0,0|2,0,0]=4 7047 B12R1.1 OCCCSc1ncc(cn1)Br 62a_100011215043_100000690281 [0,2,0,0,0,0|2,0,0]=4 7048 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011215043_100011356929 [0,2,0,0,0,0|2,0,0]=4 7049 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011356929_100011215043 [0,2,0,0,0,0|2,0,0]=4 7050 B12R1.1 OCCCSc1ncc(cn1)F 62a_100000685220_100011215043 [0,2,0,0,0,0|2,0,0]=4 7051 B12R1.1 OCCCSc1ncc(cn1)F 62a_100011215043_100000685220 [0,2,0,0,0,0|2,0,0]=4 7052 B12R1.1 OCCCSc1ncc(cn1)O 62a_100000730009_100011215043 [0,2,0,0,0,0|2,0,0]=4 7053 B12R1.1 OCCCSc1ncc(cn1)O 62a_100011215043_100000092845 [0,2,0,0,0,0|2,0,0]=4 7054 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,2,0,0,0,0|0,0,0]=2 7055 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,2,0,0,0,0|0,0,0]=2 7056 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,2,0,0,0,0|0,0,0]=2 7057 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,2,0,0,0,0|0,0,0]=2 7058 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,2,0,0,0,0|0,0,0]=2 7059 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,2,0,0,0,0|0,0,0]=2 7060 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,2,0,0,0,0|0,0,0]=2 7061 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,2,0,0,0,0|0,0,0]=2 7062 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,2,0,0,0,0|0,0,0]=2 7063 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,2,0,0,0,0|0,0,0]=2 7064 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,2,0,0,0,0|0,0,0]=2 7065 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,2,0,0,0,0|0,0,0]=2 7066 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,2,0,0,0,0|0,0,0]=2 7067 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,2,0,0,0,0|0,0,0]=2 7068 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,2,0,0,0,0|0,0,0]=2 7069 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,2,0,0,0,0|0,0,0]=2 7070 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,2,0,0,0,0|0,0,0]=2 7071 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,2,0,0,0,0|0,0,0]=2 7072 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,2,0,0,0,0|0,0,0]=2 7073 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,2,0,0,0,0|0,0,0]=2 7074 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,2,0,0,0,0|0,0,0]=2 7075 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,2,0,0,0,0|0,0,0]=2 7076 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,2,0,0,0,0|0,0,0]=2 7077 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,2,0,0,0,0|0,0,0]=2 7078 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,2,0,0,0,0|0,0,0]=2 7079 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [0,2,0,0,0,0|1,0,0]=3 7080 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [0,2,0,0,0,0|1,0,0]=3 7081 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [0,2,0,0,0,0|1,0,0]=3 7082 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [0,2,0,0,0,0|1,0,0]=3 7083 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [0,2,0,0,0,0|1,0,0]=3 7084 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [0,2,0,0,0,0|1,0,0]=3 7085 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [0,2,0,0,0,0|1,0,0]=3 7086 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [0,2,0,0,0,0|1,0,0]=3 7087 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [0,2,0,0,0,0|1,0,0]=3 7088 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [0,2,0,0,0,0|1,0,0]=3 7089 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [0,2,0,0,0,0|1,0,0]=3 7090 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [0,2,0,0,0,0|1,0,0]=3 7091 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [0,2,0,0,0,0|1,0,0]=3 7092 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [0,2,0,0,0,0|1,0,0]=3 7093 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [0,2,0,0,0,0|1,0,0]=3 7094 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100009817727_100000211926 [0,2,0,0,0,0|1,0,0]=3 7095 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100016997473_100009831999 [0,2,0,0,0,0|1,0,0]=3 7096 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100009817727_100000211926 [0,2,0,0,0,0|1,0,0]=3 7097 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100016990907_100009831999 [0,2,0,0,0,0|1,0,0]=3 7098 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100000735879_100000211926 [0,2,0,0,0,0|1,0,0]=3 7099 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100016997473_100000735431 [0,2,0,0,0,0|1,0,0]=3 7100 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100000735879_100000211926 [0,2,0,0,0,0|1,0,0]=3 7101 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100016990907_100000735431 [0,2,0,0,0,0|1,0,0]=3 7102 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100000101913_100000211926 [0,2,0,0,0,0|1,0,0]=3 7103 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100016997473_100009820150 [0,2,0,0,0,0|1,0,0]=3 7104 B12R1.1 OCCNCc1ccc(nc1)F 34a_100000101913_100000211926 [0,2,0,0,0,0|1,0,0]=3 7105 B12R1.1 OCCNCc1ccc(nc1)F 34a_100016990907_100000099788 [0,2,0,0,0,0|1,0,0]=3 7106 B12R1.1 OCCNCc1ccc(nc1)O 207a_100000210304_100011361521 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.1 OCCNCc1ccc(nc1)O 2230a_100000757128_100000211926 [0,2,0,0,0,0|1,0,0]=3 7108 B12R1.1 OCCNCc1ccc(nn1)Cl 2230a_100016997473_100016992710 [0,2,0,0,0,0|2,0,0]=4 7109 B12R1.1 OCCNCc1ccc(nn1)Cl 270004a_100000210304_100000044651 [0,2,0,0,0,0|2,0,0]=4 7110 B12R1.1 OCCNCc1ccc(nn1)Cl 34a_100016990907_100016992710 [0,2,0,0,0,0|2,0,0]=4 7111 B12R1.1 OCCNCc1cnc(cn1)Cl 270004a_100000210304_100012001714 [0,2,0,0,0,0|2,0,0]=4 7112 B12R1.1 OCCNCc1ncc(cn1)Br 34a_100016990907_100010064664 [0,2,0,0,0,0|2,0,0]=4 7113 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,2,0,0,0,0|0,0,0]=2 7114 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,2,0,0,0,0|0,0,0]=2 7115 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,2,0,0,0,0|0,0,0]=2 7116 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,2,0,0,0,0|0,0,0]=2 7117 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,2,0,0,0,0|0,0,0]=2 7118 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,2,0,0,0,0|0,0,0]=2 7119 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,2,0,0,0,0|0,0,0]=2 7120 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [0,2,0,0,0,0|1,0,0]=3 7121 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [0,2,0,0,0,0|1,0,0]=3 7122 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [0,2,0,0,0,0|1,0,0]=3 7123 B12R1.1 OCCOCc1ccc(nc1)Br 34a_100009816760_100000211926 [0,2,0,0,0,0|1,0,0]=3 7124 B12R1.1 OCCOCc1ccc(nc1)Br 7a_100009816760_100000211926 [0,2,0,0,0,0|1,0,0]=3 7125 B12R1.1 OCCOCc1ccc(nc1)Cl 34a_100000755211_100000211926 [0,2,0,0,0,0|1,0,0]=3 7126 B12R1.1 OCCOCc1ccc(nc1)Cl 7a_100000755211_100000211926 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.1 OCCOCc1ccc(nc1)F 34a_100000079959_100000211926 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.1 OCCOCc1cnc(cn1)Cl 34a_100012002382_100000211926 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.1 OCCOCc1cnc(nc1)Cl 34a_100009855073_100000211926 [0,2,0,0,0,0|2,0,0]=4 7130 B12R1.1 OCCOCc1cnc(nc1)Cl 7a_100009855073_100000211926 [0,2,0,0,0,0|2,0,0]=4 7131 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [0,2,0,0,0,0|0,0,0]=2 7132 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [0,2,0,0,0,0|0,0,0]=2 7133 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [0,2,0,0,0,0|0,0,0]=2 7134 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [0,2,0,0,0,0|0,0,0]=2 7135 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [0,2,0,0,0,0|0,0,0]=2 7136 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [0,2,0,0,0,0|0,0,0]=2 7137 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [0,2,0,0,0,0|0,0,0]=2 7138 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [0,2,0,0,0,0|0,0,0]=2 7139 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [0,2,0,0,0,0|1,0,0]=3 7140 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [0,2,0,0,0,0|1,0,0]=3 7142 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [0,2,0,0,0,0|1,0,0]=3 7143 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [0,2,0,0,0,0|1,0,0]=3 7144 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [0,2,0,0,0,0|1,0,0]=3 7145 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100000211926_100009831999 [0,2,0,0,0,0|1,0,0]=3 7146 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100009831999_100000211926 [0,2,0,0,0,0|1,0,0]=3 7147 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000211926_100000735431 [0,2,0,0,0,0|1,0,0]=3 7148 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000735431_100000211926 [0,2,0,0,0,0|1,0,0]=3 7149 B12R1.1 OCCSCc1ccc(nc1)F 62a_100000211926_100000099788 [0,2,0,0,0,0|1,0,0]=3 7150 B12R1.1 OCCSCc1ccc(nc1)F 62a_100009820150_100000211926 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100000211926_100016992710 [0,2,0,0,0,0|2,0,0]=4 7152 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100016992710_100000211926 [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.1 OCCSCc1ncc(cn1)Br 62a_100000211926_100010064664 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.1 OCCSCc1ncc(cn1)Br 62a_100010064664_100000211926 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,2,0,0,0,0|1,0,0]=3 7156 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,2,0,0,0,0|1,0,0]=3 7157 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,2,0,0,0,0|1,0,0]=3 7158 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|1,0,0]=3 7159 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|1,0,0]=3 7160 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [0,2,0,0,0,0|1,0,0]=3 7161 B12R1.1 Oc1ccc(cn1)CNCCF 2230a_100000757128_100011217306 [0,2,0,0,0,0|2,0,0]=4 7162 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100000685995_100011934791 [0,2,0,0,0,0|2,0,0]=4 7163 B12R1.1 Oc1ccc(nc1)SCCCF 62a_100011934791_100000744096 [0,2,0,0,0,0|2,0,0]=4 7164 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 7165 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 7166 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,2,0,0,0,0|1,0,0]=3 7167 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,2,0,0,0,0|1,0,0]=3 7169 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,2,0,0,0,0|1,0,0]=3 7170 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,2,0,0,0,0|2,0,0]=4 7172 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)Br 34a_100009814260_200025704644 [0,2,0,0,0,0|0,0,2]=4 7179 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)Br 7a_100009814260_200025704644 [0,2,0,0,0,0|0,0,2]=4 7180 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)F 34a_100011219116_200025704644 [0,2,0,0,0,0|0,0,2]=4 7181 B12R1.1 [13CH3]OCC#Cc1ccc(cc1)F 7a_100011219116_200025704644 [0,2,0,0,0,0|0,0,2]=4 7182 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,2,0,0,0,0|0,0,0]=2 7183 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,2,0,0,0,0|0,0,0]=2 7184 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,2,0,0,0,0|0,0,0]=2 7185 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,2,0,0,0,0|0,0,0]=2 7186 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,2,0,0,0,0|0,0,0]=2 7187 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,2,0,0,0,0|0,0,0]=2 7188 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,2,0,0,0,0|1,0,0]=3 7191 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.1 [13CH3]OCCOc1ccc(cn1)N 34a_100102662783_200025704644 [0,2,0,0,0,0|2,0,0]=4 7194 B12R1.1 [13CH3]OCCOc1ccc(nc1)Br 34a_200013150534_200025704644 [0,2,0,0,0,0|2,0,0]=4 7195 B12R1.1 [13CH3]OCCOc1ccc(nc1)Br 7a_200013150534_200025704644 [0,2,0,0,0,0|2,0,0]=4 7196 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [0,2,0,0,0,0|1,0,0]=3 7197 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [0,2,0,0,0,0|1,0,0]=3 7198 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [0,2,0,0,0,0|1,0,0]=3 7199 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [0,2,0,0,0,0|1,0,0]=3 7200 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,2,0,0,0,0|0,1,0]=3 7201 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,2,0,0,0,0|0,1,0]=3 7202 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,2,0,0,0,0|0,1,0]=3 7203 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,2,0,0,0,0|0,1,0]=3 7204 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,2,0,0,0,0|0,1,0]=3 7205 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,2,0,0,0,0|0,1,0]=3 7206 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,2,0,0,0,0|1,1,0]=4 7207 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,2,0,0,0,0|1,1,0]=4 7208 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,2,0,0,0,0|1,1,0]=4 7209 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,2,0,0,0,0|1,1,0]=4 7210 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,2,0,0,0,0|1,1,0]=4 7211 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,2,0,0,0,0|1,1,0]=4 7212 B12R1.1 [O-][n+]1ccc(cc1)COCCF 34a_100000031831_100011217306 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.1 [O-][n+]1ccc(cc1)COCCF 7a_100000031831_100011217306 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.1 [O-][n+]1ccc(cc1)COCCO 34a_100000031831_100000211926 [0,2,0,0,0,0|1,0,0]=3 7215 B12R1.1 [O-][n+]1ccc(cc1)COCCO 7a_100000031831_100000211926 [0,2,0,0,0,0|1,0,0]=3 7216 B12R1.1 [O-][n+]1ccc(cc1)SCCCF 62a_100011934791_100000039755 [0,2,0,0,0,0|2,0,0]=4 7217 B12R1.1 [O-][n+]1ccc(cc1)SCCCO 62a_100011215043_100000039755 [0,2,0,0,0,0|1,0,0]=3 7218 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|1,0,1]=4 7219 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,2,0,0,0,0|2,0,0]=4 7220 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [0,2,0,0,0,0|2,0,0]=4 7221 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [0,2,0,0,0,0|2,0,0]=4 7222 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [0,2,0,0,0,0|2,0,0]=4 7223 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [0,2,0,0,0,0|2,0,0]=4 7224 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [0,2,0,0,0,0|2,0,0]=4 7225 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100000755118_100015361967 [0,2,0,0,0,0|2,0,0]=4 7226 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100015361967_100000755118 [0,2,0,0,0,0|2,0,0]=4 7227 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100000684792_100015361967 [0,2,0,0,0,0|2,0,0]=4 7228 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100015361967_100000684792 [0,2,0,0,0,0|2,0,0]=4 7229 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100000743420_100015361967 [0,2,0,0,0,0|2,0,0]=4 7230 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100015361967_100000743420 [0,2,0,0,0,0|2,0,0]=4 7231 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,2,0,0,0,0|1,0,1]=4 7232 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|1,0,1]=4 7233 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,2,0,0,0,0|1,0,1]=4 7234 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,2,0,0,0,0|1,0,1]=4 7235 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,2,0,0,0,0|1,0,1]=4 7236 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,2,0,0,0,0|1,0,1]=4 7237 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,2,0,0,0,0|1,0,1]=4 7238 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,2,0,0,0,0|1,0,0]=3 7239 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 7241 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 7242 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [0,2,0,0,0,0|2,0,0]=4 7248 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [0,2,0,0,0,0|2,0,0]=4 7250 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [0,2,0,0,0,0|2,0,0]=4 7251 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 7252 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 7253 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 7254 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,2,0,0,0,0|2,0,0]=4 7255 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,2,0,0,0,0|2,0,0]=4 7256 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,2,0,0,0,0|2,0,0]=4 7257 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,2,0,0,0,0|2,0,0]=4 7258 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,2,0,0,0,0|2,0,0]=4 7259 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,2,0,0,0,0|2,0,0]=4 7260 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,2,0,0,0,0|2,0,0]=4 7261 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,2,0,0,0,0|2,0,0]=4 7262 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,2,0,0,0,0|2,0,0]=4 7264 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,2,0,0,0,0|2,0,0]=4 7265 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,2,0,0,0,0|2,0,0]=4 7266 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,2,0,0,0,0|2,0,0]=4 7267 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,2,0,0,0,0|2,0,0]=4 7269 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,2,0,0,0,0|2,0,0]=4 7270 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,2,0,0,0,0|2,0,0]=4 7271 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,2,0,0,0,0|2,0,0]=4 7272 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,2,0,0,0,0|2,0,0]=4 7273 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,2,0,0,0,0|2,0,0]=4 7274 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,2,0,0,0,0|2,0,0]=4 7276 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,2,0,0,0,0|2,0,0]=4 7277 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,2,0,0,0,0|2,0,0]=4 7278 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,2,0,0,0,0|2,0,0]=4 7279 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,2,0,0,0,0|2,0,0]=4 7280 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,2,0,0,0,0|2,0,0]=4 7281 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,2,0,0,0,0|2,0,0]=4 7282 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,2,0,0,0,0|2,0,0]=4 7283 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,2,0,0,0,0|2,0,0]=4 7287 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.16 CN(CCF)c1ccc(cc1)Br 2230a_100000219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 7295 B12R1.16 CN(CCF)c1ccc(cc1)Br 269982a_100000219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.16 CN(CCF)c1ccc(cc1)Br 34a_100000219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 7297 B12R1.16 CN(CCF)c1ccc(cc1)Cl 2230a_100020629279_100011217306 [0,2,0,0,0,0|2,0,0]=4 7298 B12R1.16 CN(CCF)c1ccc(cc1)Cl 269982a_100020629279_100011217306 [0,2,0,0,0,0|2,0,0]=4 7299 B12R1.16 CN(CCF)c1ccc(cc1)Cl 34a_100020629279_100011217306 [0,2,0,0,0,0|2,0,0]=4 7300 B12R1.16 CN(CCF)c1ccc(cc1)F 2230a_100000219829_100011217306 [0,2,0,0,0,0|2,0,0]=4 7301 B12R1.16 CN(CCF)c1ccc(cc1)F 269982a_100000219829_100011217306 [0,2,0,0,0,0|2,0,0]=4 7302 B12R1.16 CN(CCF)c1ccc(cc1)F 34a_100000219829_100011217306 [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.16 CN(CCF)c1ccc(cc1)I 2230a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.16 CN(CCF)c1ccc(cc1)I 269982a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 7305 B12R1.16 CN(CCF)c1ccc(cc1)I 34a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 7306 B12R1.16 CN(CCF)c1ccc(cc1)O 269982a_100000182112_100011217306 [0,2,0,0,0,0|2,0,0]=4 7307 B12R1.16 CN(CCF)c1ccc(cc1)O 34a_100000182112_100011217306 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.16 CN(CCO)c1ccc(cc1)Br 2230a_100000219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 7309 B12R1.16 CN(CCO)c1ccc(cc1)Br 269982a_100000219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 7310 B12R1.16 CN(CCO)c1ccc(cc1)Br 34a_100000219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 7311 B12R1.16 CN(CCO)c1ccc(cc1)Cl 2230a_100020629279_100000211926 [0,2,0,0,0,0|1,0,0]=3 7312 B12R1.16 CN(CCO)c1ccc(cc1)Cl 269982a_100020629279_100000211926 [0,2,0,0,0,0|1,0,0]=3 7313 B12R1.16 CN(CCO)c1ccc(cc1)Cl 34a_100020629279_100000211926 [0,2,0,0,0,0|1,0,0]=3 7314 B12R1.16 CN(CCO)c1ccc(cc1)F 2230a_100000219829_100000211926 [0,2,0,0,0,0|1,0,0]=3 7315 B12R1.16 CN(CCO)c1ccc(cc1)F 269982a_100000219829_100000211926 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.16 CN(CCO)c1ccc(cc1)F 34a_100000219829_100000211926 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.16 CN(CCO)c1ccc(cc1)I 2230a_100000743151_100000211926 [0,2,0,0,0,0|1,0,0]=3 7318 B12R1.16 CN(CCO)c1ccc(cc1)I 269982a_100000743151_100000211926 [0,2,0,0,0,0|1,0,0]=3 7319 B12R1.16 CN(CCO)c1ccc(cc1)I 34a_100000743151_100000211926 [0,2,0,0,0,0|1,0,0]=3 7320 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,2,0,0,0,0|1,0,0]=3 7322 B12R1.16 CN(CCO)c1ccc(cn1)Br 27a_100000210263_100000686858 [0,2,0,0,0,0|2,0,0]=4 7323 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,2,0,0,0,0|2,0,0]=4 7324 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,2,0,0,0,0|2,0,0]=4 7325 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|2,0,0]=4 7326 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,2,0,0,0,0|2,0,0]=4 7327 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,2,0,0,0,0|2,0,0]=4 7328 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,2,0,0,0,0|2,0,0]=4 7329 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,2,0,0,0,0|2,0,0]=4 7332 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,2,0,0,0,0|2,0,0]=4 7337 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,2,0,0,0,0|2,0,0]=4 7343 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,2,0,0,0,0|2,0,0]=4 7344 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,2,0,0,0,0|2,0,0]=4 7345 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,2,0,0,0,0|2,0,0]=4 7347 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,2,0,0,0,0|2,0,0]=4 7348 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,2,0,0,0,0|2,0,0]=4 7349 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,2,0,0,0,0|2,0,0]=4 7350 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,2,0,0,0,0|2,0,0]=4 7351 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|1,0,1]=4 7352 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|0,0,1]=3 7353 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100011261388_100015361967 [0,2,0,0,0,0|2,0,0]=4 7354 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100015361967_100011261388 [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.16 Cc1ccc(cc1)N(C)CCF 2230a_100000219977_100011217306 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.16 Cc1ccc(cc1)N(C)CCF 269982a_100000219977_100011217306 [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.16 Cc1ccc(cc1)N(C)CCF 34a_100000219977_100011217306 [0,2,0,0,0,0|2,0,0]=4 7360 B12R1.16 Cc1ccc(cc1)N(C)CCO 2230a_100000219977_100000211926 [0,2,0,0,0,0|1,0,0]=3 7361 B12R1.16 Cc1ccc(cc1)N(C)CCO 269982a_100000219977_100000211926 [0,2,0,0,0,0|1,0,0]=3 7362 B12R1.16 Cc1ccc(cc1)N(C)CCO 34a_100000219977_100000211926 [0,2,0,0,0,0|1,0,0]=3 7363 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,2,0,0,0,0|2,0,0]=4 7364 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,2,0,0,0,0|2,0,0]=4 7365 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,2,0,0,0,0|2,0,0]=4 7366 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|2,0,0]=4 7367 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,2,0,0,0,0|0,0,0]=2 7368 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,2,0,0,0,0|1,0,1]=4 7369 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,2,0,0,0,0|1,0,1]=4 7370 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,2,0,0,0,0|1,0,1]=4 7371 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,2,0,0,0,0|1,0,1]=4 7372 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,2,0,0,0,0|1,0,1]=4 7373 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,2,0,0,0,0|0,0,1]=3 7374 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,2,0,0,0,0|0,0,1]=3 7375 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,2,0,0,0,0|0,0,1]=3 7376 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,2,0,0,0,0|0,0,1]=3 7377 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,2,0,0,0,0|0,0,1]=3 7378 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,2,0,0,0,0|2,0,0]=4 7379 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|2,0,0]=4 7380 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,2,0,0,0,0|2,0,0]=4 7381 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|2,0,0]=4 7382 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,2,0,0,0,0|2,0,0]=4 7383 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,2,0,0,0,0|2,0,0]=4 7386 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 34a_217856618577_100015361967 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 7a_217856618577_100015361967 [0,2,0,0,0,0|2,0,0]=4 7394 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|0,0,2]=4 7395 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|0,0,2]=4 7396 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|0,0,2]=4 7397 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|0,0,2]=4 7398 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|0,0,2]=4 7399 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|0,0,2]=4 7400 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|0,0,2]=4 7401 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|0,0,2]=4 7402 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|0,0,2]=4 7403 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|0,0,2]=4 7404 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|0,0,2]=4 7405 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|0,0,2]=4 7406 B12R1.21 CC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000210760 [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.21 CC(C)CNc1ccc(cc1)Br 34a_100000210018_100000210624 [0,2,0,0,0,0|2,0,0]=4 7408 B12R1.21 CC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000210760 [0,2,0,0,0,0|2,0,0]=4 7409 B12R1.21 CC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000210624 [0,2,0,0,0,0|2,0,0]=4 7410 B12R1.21 CC(C)CNc1ccc(cc1)F 34a_100000185862_100000210624 [0,2,0,0,0,0|2,0,0]=4 7411 B12R1.21 CC(C)CNc1ccc(cc1)I 34a_100000185761_100000210624 [0,2,0,0,0,0|2,0,0]=4 7412 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [0,2,0,0,0,0|2,0,0]=4 7413 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [0,2,0,0,0,0|2,0,0]=4 7414 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,2,0,0,0,0|2,0,0]=4 7420 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,2,0,0,0,0|2,0,0]=4 7421 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000210624_100000752885 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000752885_100000210760 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000210624_100000755918 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000210760 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000210624_100000211213 [0,2,0,0,0,0|2,0,0]=4 7428 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000211213_100000210760 [0,2,0,0,0,0|2,0,0]=4 7429 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000185761_100000210760 [0,2,0,0,0,0|2,0,0]=4 7430 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000210624_100000185761 [0,2,0,0,0,0|2,0,0]=4 7431 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [0,2,0,0,0,0|2,0,0]=4 7432 B12R1.21 CC(C)NCc1ccc(cc1)Br 207a_100138425928_100000186029 [0,2,0,0,0,0|2,0,0]=4 7433 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000210206 [0,2,0,0,0,0|2,0,0]=4 7434 B12R1.21 CC(C)NCc1ccc(cc1)Br 2230a_100138425928_100011217064 [0,2,0,0,0,0|2,0,0]=4 7435 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100000174875_100000210206 [0,2,0,0,0,0|2,0,0]=4 7436 B12R1.21 CC(C)NCc1ccc(cc1)Br 34a_100138425928_100000189115 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [0,2,0,0,0,0|2,0,0]=4 7438 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [0,2,0,0,0,0|2,0,0]=4 7439 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [0,2,0,0,0,0|2,0,0]=4 7440 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [0,2,0,0,0,0|2,0,0]=4 7441 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [0,2,0,0,0,0|2,0,0]=4 7442 B12R1.21 CC(C)NCc1ccc(cc1)F 207a_100138425928_100000210084 [0,2,0,0,0,0|2,0,0]=4 7443 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100000174882_100000210206 [0,2,0,0,0,0|2,0,0]=4 7444 B12R1.21 CC(C)NCc1ccc(cc1)F 2230a_100138425928_100000198546 [0,2,0,0,0,0|2,0,0]=4 7445 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100000174882_100000210206 [0,2,0,0,0,0|2,0,0]=4 7446 B12R1.21 CC(C)NCc1ccc(cc1)F 34a_100138425928_100000198546 [0,2,0,0,0,0|2,0,0]=4 7447 B12R1.21 CC(C)NCc1ccc(cc1)I 207a_100138425928_100000188517 [0,2,0,0,0,0|2,0,0]=4 7448 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100016989417_100000210206 [0,2,0,0,0,0|2,0,0]=4 7449 B12R1.21 CC(C)NCc1ccc(cc1)I 2230a_100138425928_100000189116 [0,2,0,0,0,0|2,0,0]=4 7450 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100016989417_100000210206 [0,2,0,0,0,0|2,0,0]=4 7451 B12R1.21 CC(C)NCc1ccc(cc1)I 34a_100138425928_100000189116 [0,2,0,0,0,0|2,0,0]=4 7452 B12R1.21 CC(C)NCc1ccc(cc1)O 271570a_203496583355_100000195760 [0,2,0,0,0,0|2,0,0]=4 7453 B12R1.21 CC(C)NCc1ccc(cc1)O 34a_100000185549_100000210206 [0,2,0,0,0,0|2,0,0]=4 7454 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000212225_100000189115 [0,2,0,0,0,0|2,0,0]=4 7455 B12R1.21 CC(C)OCc1ccc(cc1)Br 34a_100000695286_100000210206 [0,2,0,0,0,0|2,0,0]=4 7456 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [0,2,0,0,0,0|2,0,0]=4 7457 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [0,2,0,0,0,0|2,0,0]=4 7458 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000210977_100000210206 [0,2,0,0,0,0|2,0,0]=4 7460 B12R1.21 CC(C)OCc1ccc(cc1)F 34a_100000212225_100000198546 [0,2,0,0,0,0|2,0,0]=4 7461 B12R1.21 CC(C)OCc1ccc(cc1)F 7a_100000210977_100000210206 [0,2,0,0,0,0|2,0,0]=4 7462 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000212225_100000189116 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.21 CC(C)OCc1ccc(cc1)I 34a_100000690907_100000210206 [0,2,0,0,0,0|2,0,0]=4 7464 B12R1.21 CC(C)OCc1ccc(cc1)I 7a_100000690907_100000210206 [0,2,0,0,0,0|2,0,0]=4 7465 B12R1.21 CC(C)OCc1ccc(cc1)N 34a_100011215238_100000210206 [0,2,0,0,0,0|2,0,0]=4 7466 B12R1.21 CC(C)OCc1ccc(cc1)O 271570a_203496583355_100000758563 [0,2,0,0,0,0|2,0,0]=4 7467 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000189115_100000210206 [0,2,0,0,0,0|2,0,0]=4 7468 B12R1.21 CC(C)SCc1ccc(cc1)Br 62a_100000210206_100000189115 [0,2,0,0,0,0|2,0,0]=4 7469 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000210206 [0,2,0,0,0,0|2,0,0]=4 7470 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000210206_100000187161 [0,2,0,0,0,0|2,0,0]=4 7471 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000198546_100000210206 [0,2,0,0,0,0|2,0,0]=4 7472 B12R1.21 CC(C)SCc1ccc(cc1)F 62a_100000210206_100000187164 [0,2,0,0,0,0|2,0,0]=4 7473 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000189116_100000210206 [0,2,0,0,0,0|2,0,0]=4 7474 B12R1.21 CC(C)SCc1ccc(cc1)I 62a_100000210206_100000189116 [0,2,0,0,0,0|2,0,0]=4 7475 B12R1.21 CC(C)SCc1ccc(cc1)O 271570a_203496583355_100000173087 [0,2,0,0,0,0|2,0,0]=4 7476 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,2,0,0,0,0|0,0,2]=4 7477 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,2,0,0,0,0|0,0,2]=4 7478 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,2,0,0,0,0|0,0,2]=4 7479 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,2,0,0,0,0|0,0,2]=4 7480 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,2,0,0,0,0|0,0,2]=4 7481 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,2,0,0,0,0|1,0,0]=3 7484 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,2,0,0,0,0|1,0,0]=3 7485 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,2,0,0,0,0|1,0,0]=3 7486 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,2,0,0,0,0|1,0,0]=3 7487 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,2,0,0,0,0|1,0,0]=3 7488 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [0,2,0,0,0,0|2,0,0]=4 7489 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [0,2,0,0,0,0|2,0,0]=4 7490 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,2,0,0,0,0|1,0,0]=3 7491 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,2,0,0,0,0|1,0,0]=3 7492 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,2,0,0,0,0|1,0,0]=3 7493 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,2,0,0,0,0|1,0,0]=3 7494 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,2,0,0,0,0|1,0,0]=3 7495 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,2,0,0,0,0|1,0,0]=3 7496 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,2,0,0,0,0|1,0,0]=3 7497 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,2,0,0,0,0|1,0,0]=3 7498 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,2,0,0,0,0|2,0,0]=4 7499 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,2,0,0,0,0|2,0,0]=4 7500 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,2,0,0,0,0|2,0,0]=4 7501 B12R1.21 CC(O)COc1ccc(nc1)Br 34a_100000685995_100011218427 [0,2,0,0,0,0|2,0,0]=4 7502 B12R1.21 CC(O)COc1ccc(nc1)Br 7a_100000685995_100011218427 [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.21 CC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218427 [0,2,0,0,0,0|2,0,0]=4 7504 B12R1.21 CC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218427 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.21 CC(O)COc1ccc(nc1)F 34a_100000688820_100011218427 [0,2,0,0,0,0|2,0,0]=4 7506 B12R1.21 CC(O)COc1ccc(nc1)F 7a_100000688820_100011218427 [0,2,0,0,0,0|2,0,0]=4 7507 B12R1.21 CC(O)COc1ccc(nc1)I 34a_100000687607_100011218427 [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.21 CC(O)COc1ccc(nc1)I 7a_100000687607_100011218427 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.21 CC(O)COc1ccc(nc1)N 34a_100015188713_100011218427 [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.21 CC(O)COc1ccc(nc1)N 7a_100015188713_100011218427 [0,2,0,0,0,0|2,0,0]=4 7511 B12R1.21 CC(O)CSc1cc[n+](cc1)[O-] 62a_100011218427_100000039755 [0,2,0,0,0,0|2,0,0]=4 7512 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218427 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100011218427_100000212171 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,2,0,0,0,0|1,0,0]=3 7515 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,2,0,0,0,0|1,0,0]=3 7516 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,2,0,0,0,0|1,0,0]=3 7517 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,2,0,0,0,0|1,0,0]=3 7518 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,2,0,0,0,0|1,0,0]=3 7519 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,2,0,0,0,0|1,0,0]=3 7520 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,2,0,0,0,0|1,0,0]=3 7521 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,2,0,0,0,0|1,0,0]=3 7522 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,2,0,0,0,0|1,0,0]=3 7523 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [0,2,0,0,0,0|2,0,0]=4 7524 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [0,2,0,0,0,0|2,0,0]=4 7525 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [0,2,0,0,0,0|2,0,0]=4 7526 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [0,2,0,0,0,0|2,0,0]=4 7528 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [0,2,0,0,0,0|2,0,0]=4 7529 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [0,2,0,0,0,0|2,0,0]=4 7532 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100009814638_100011218427 [0,2,0,0,0,0|2,0,0]=4 7534 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100011218427_100009814638 [0,2,0,0,0,0|2,0,0]=4 7535 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218427 [0,2,0,0,0,0|2,0,0]=4 7536 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100011218427_100000034144 [0,2,0,0,0,0|2,0,0]=4 7537 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100000042367_100011218427 [0,2,0,0,0,0|2,0,0]=4 7538 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100011218427_100000042367 [0,2,0,0,0,0|2,0,0]=4 7539 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100000187370_100011218427 [0,2,0,0,0,0|2,0,0]=4 7540 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100011218427_100000187370 [0,2,0,0,0,0|2,0,0]=4 7541 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100000752880_200000210301 [0,2,0,0,0,0|2,0,0]=4 7542 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100102631434_100011740612 [0,2,0,0,0,0|2,0,0]=4 7543 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100000752880_200000210301 [0,2,0,0,0,0|2,0,0]=4 7544 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100102631434_100011740612 [0,2,0,0,0,0|2,0,0]=4 7545 B12R1.21 CN(C)CCc1ccc(cc1)Br 34a_100000752880_200000210301 [0,2,0,0,0,0|2,0,0]=4 7546 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [0,2,0,0,0,0|2,0,0]=4 7547 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [0,2,0,0,0,0|2,0,0]=4 7548 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [0,2,0,0,0,0|2,0,0]=4 7551 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102631434_100011217392 [0,2,0,0,0,0|2,0,0]=4 7552 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102946585_200000210301 [0,2,0,0,0,0|2,0,0]=4 7553 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102631434_100011217392 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102946585_200000210301 [0,2,0,0,0,0|2,0,0]=4 7555 B12R1.21 CN(C)CCc1ccc(cc1)F 34a_100102946585_200000210301 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [0,2,0,0,0,0|2,0,0]=4 7559 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 2230a_100000752880_200025704644 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 269982a_100000752880_200025704644 [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 34a_100000752880_200025704644 [0,2,0,0,0,0|2,0,0]=4 7564 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [0,2,0,0,0,0|2,0,0]=4 7565 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [0,2,0,0,0,0|2,0,0]=4 7566 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [0,2,0,0,0,0|2,0,0]=4 7567 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 2230a_100102946585_200025704644 [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 269982a_100102946585_200025704644 [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 34a_100102946585_200025704644 [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [0,2,0,0,0,0|2,0,0]=4 7571 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [0,2,0,0,0,0|2,0,0]=4 7572 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,2,0,0,0,0|1,0,0]=3 7574 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,2,0,0,0,0|1,0,0]=3 7575 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,2,0,0,0,0|1,0,0]=3 7576 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,2,0,0,0,0|1,0,0]=3 7577 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,2,0,0,0,0|1,0,0]=3 7578 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,2,0,0,0,0|1,0,0]=3 7579 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,2,0,0,0,0|1,0,0]=3 7580 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [0,2,0,0,0,0|2,0,0]=4 7581 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,2,0,0,0,0|1,0,0]=3 7582 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,2,0,0,0,0|1,0,0]=3 7583 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,2,0,0,0,0|1,0,0]=3 7584 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,2,0,0,0,0|1,0,0]=3 7585 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,2,0,0,0,0|1,0,0]=3 7586 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,2,0,0,0,0|1,0,0]=3 7587 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,2,0,0,0,0|1,0,0]=3 7588 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,2,0,0,0,0|1,0,0]=3 7589 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,2,0,0,0,0|2,0,0]=4 7590 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,2,0,0,0,0|2,0,0]=4 7591 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 34a_100000685995_100009817552 [0,2,0,0,0,0|2,0,0]=4 7593 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 7a_100000685995_100009817552 [0,2,0,0,0,0|2,0,0]=4 7594 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009817552 [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009817552 [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 34a_100000688820_100009817552 [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 7a_100000688820_100009817552 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 34a_100000687607_100009817552 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 7a_100000687607_100009817552 [0,2,0,0,0,0|2,0,0]=4 7600 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 34a_100015188713_100009817552 [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 7a_100015188713_100009817552 [0,2,0,0,0,0|2,0,0]=4 7602 B12R1.21 C[C@@H](O)CSc1cc[n+](cc1)[O-] 62a_100009817552_100000039755 [0,2,0,0,0,0|2,0,0]=4 7603 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100000212171_100009817552 [0,2,0,0,0,0|2,0,0]=4 7604 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100009817552_100000212171 [0,2,0,0,0,0|2,0,0]=4 7605 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,2,0,0,0,0|1,0,0]=3 7606 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,2,0,0,0,0|1,0,0]=3 7607 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,2,0,0,0,0|1,0,0]=3 7608 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,2,0,0,0,0|1,0,0]=3 7609 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,2,0,0,0,0|1,0,0]=3 7610 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,2,0,0,0,0|1,0,0]=3 7611 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,2,0,0,0,0|1,0,0]=3 7612 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,2,0,0,0,0|1,0,0]=3 7613 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,2,0,0,0,0|1,0,0]=3 7614 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [0,2,0,0,0,0|2,0,0]=4 7616 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [0,2,0,0,0,0|2,0,0]=4 7617 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [0,2,0,0,0,0|2,0,0]=4 7618 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [0,2,0,0,0,0|2,0,0]=4 7619 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [0,2,0,0,0,0|2,0,0]=4 7620 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [0,2,0,0,0,0|2,0,0]=4 7621 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [0,2,0,0,0,0|2,0,0]=4 7622 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [0,2,0,0,0,0|2,0,0]=4 7623 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [0,2,0,0,0,0|2,0,0]=4 7624 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009817552 [0,2,0,0,0,0|2,0,0]=4 7625 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009817552_100009814638 [0,2,0,0,0,0|2,0,0]=4 7626 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009817552 [0,2,0,0,0,0|2,0,0]=4 7627 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100009817552_100000034144 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100000042367_100009817552 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100009817552_100000042367 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100000187370_100009817552 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100009817552_100000187370 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,2,0,0,0,0|0,0,2]=4 7633 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|0,0,2]=4 7634 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [0,2,0,0,0,0|2,0,0]=4 7640 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [0,2,0,0,0,0|2,0,0]=4 7642 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [0,2,0,0,0,0|2,0,0]=4 7643 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [0,2,0,0,0,0|2,0,0]=4 7644 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000210814 [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210814_100000210206 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [0,2,0,0,0,0|2,0,0]=4 7647 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,2,0,0,0,0|1,0,0]=3 7648 B12R1.21 Cc1ccc(cc1)NCC(F)F 34a_100000124888_100011934356 [0,2,0,0,0,0|2,0,0]=4 7649 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,2,0,0,0,0|1,0,0]=3 7650 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,2,0,0,0,0|2,0,0]=4 7652 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,2,0,0,0,0|1,0,0]=3 7653 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,2,0,0,0,0|1,0,0]=3 7654 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,2,0,0,0,0|1,0,0]=3 7657 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,2,0,0,0,0|1,0,0]=3 7658 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,2,0,0,0,0|1,0,0]=3 7661 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,2,0,0,0,0|1,0,0]=3 7662 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100000186775_100011934356 [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100011934356_100000186775 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,2,0,0,0,0|1,0,0]=3 7665 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,2,0,0,0,0|1,0,0]=3 7666 B12R1.21 Cc1ccc(cn1)OCC(C)O 34a_100000745506_100011218427 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.21 Cc1ccc(cn1)OCC(C)O 7a_100000745506_100011218427 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 34a_100000745506_100009817552 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 7a_100000745506_100009817552 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100000751577_100011218427 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100011218427_100000751577 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100000751577_100009817552 [0,2,0,0,0,0|2,0,0]=4 7673 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000751577 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.21 FC(F)CNc1ccc(cc1)Br 2230a_100000210018_100011934356 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.21 FC(F)CNc1ccc(cc1)Br 34a_100000210018_100011934356 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.21 FC(F)CNc1ccc(cc1)Cl 2230a_100000210052_100011934356 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.21 FC(F)CNc1ccc(cc1)Cl 34a_100000210052_100011934356 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.21 FC(F)CNc1ccc(cc1)I 34a_100000185761_100011934356 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [0,2,0,0,0,0|2,0,0]=4 7686 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [0,2,0,0,0,0|2,0,0]=4 7687 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100000752885_100011934356 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.21 FC(F)CSc1ccc(cc1)Br 62a_100011934356_100000752885 [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100000755918_100011934356 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100011934356_100000755918 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.21 Fc1ccc(cc1)NCC(F)F 34a_100000185862_100011934356 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100000211213_100011934356 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.21 Fc1ccc(cc1)SCC(F)F 62a_100011934356_100000211213 [0,2,0,0,0,0|2,0,0]=4 7699 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|0,0,2]=4 7700 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100000185761_100011934356 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.21 Nc1ccc(cc1)SCC(F)F 62a_100011934356_100000185761 [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.21 Oc1ccc(cc1)NCC(F)F 34a_100000185829_100011934356 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.21 Oc1ccc(cc1)SCC(F)F 62a_100011934356_100000185759 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|0,0,2]=4 7706 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|0,0,2]=4 7707 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|0,0,2]=4 7708 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|0,0,2]=4 7709 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|0,0,2]=4 7710 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,2,0,0,0,0|1,0,0]=3 7711 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,2,0,0,0,0|1,0,0]=3 7712 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,2,0,0,0,0|1,0,0]=3 7713 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,2,0,0,0,0|1,0,0]=3 7714 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,2,0,0,0,0|1,0,0]=3 7715 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,2,0,0,0,0|1,0,0]=3 7716 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,2,0,0,0,0|1,0,0]=3 7717 B12R1.49 CC(CO)Oc1ccc(=O)[nH]c1 34a_100000075641_100012180447 [0,2,0,0,0,0|2,0,0]=4 7718 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,2,0,0,0,0|1,0,0]=3 7719 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,2,0,0,0,0|1,0,0]=3 7720 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,2,0,0,0,0|1,0,0]=3 7721 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,2,0,0,0,0|1,0,0]=3 7722 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,2,0,0,0,0|1,0,0]=3 7723 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,2,0,0,0,0|1,0,0]=3 7724 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,2,0,0,0,0|1,0,0]=3 7725 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,2,0,0,0,0|1,0,0]=3 7726 B12R1.49 CC(CO)Oc1ccc(cn1)Cl 34a_100011215309_100012180447 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.49 CC(CO)Oc1ccc(cn1)F 34a_100000742473_100012180447 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.49 CC(CO)Oc1ccc(cn1)N 34a_100000729260_100012180447 [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.49 CC(CO)Oc1ccc(nc1)Br 34a_100000685995_100012180447 [0,2,0,0,0,0|2,0,0]=4 7730 B12R1.49 CC(CO)Oc1ccc(nc1)Br 7a_100000685995_100012180447 [0,2,0,0,0,0|2,0,0]=4 7731 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 34a_100000744096_100012180447 [0,2,0,0,0,0|2,0,0]=4 7732 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 7a_100000744096_100012180447 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.49 CC(CO)Oc1ccc(nc1)F 34a_100000688820_100012180447 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.49 CC(CO)Oc1ccc(nc1)F 7a_100000688820_100012180447 [0,2,0,0,0,0|2,0,0]=4 7735 B12R1.49 CC(CO)Oc1ccc(nc1)I 34a_100000687607_100012180447 [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.49 CC(CO)Oc1ccc(nc1)I 7a_100000687607_100012180447 [0,2,0,0,0,0|2,0,0]=4 7737 B12R1.49 CC(CO)Oc1ccc(nc1)N 34a_100015188713_100012180447 [0,2,0,0,0,0|2,0,0]=4 7738 B12R1.49 CC(CO)Oc1ccc(nc1)N 7a_100015188713_100012180447 [0,2,0,0,0,0|2,0,0]=4 7739 B12R1.49 CC(CO)Sc1cc[n+](cc1)[O-] 62a_100012180447_100000039755 [0,2,0,0,0,0|2,0,0]=4 7740 B12R1.49 CC(CO)Sc1ccc(=O)[nH]c1 62a_100012180447_100000212171 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,2,0,0,0,0|1,0,0]=3 7742 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,2,0,0,0,0|1,0,0]=3 7744 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,2,0,0,0,0|1,0,0]=3 7745 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,2,0,0,0,0|1,0,0]=3 7746 B12R1.49 CC(CO)Sc1ccc(cn1)Br 62a_100012180447_100000686858 [0,2,0,0,0,0|2,0,0]=4 7747 B12R1.49 CC(CO)Sc1ccc(cn1)Cl 62a_100012180447_100011356976 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.49 CC(CO)Sc1ccc(cn1)F 62a_100012180447_100000744514 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.49 CC(CO)Sc1ccc(cn1)N 62a_100012180447_100000737798 [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.49 CC(CO)Sc1ccc(cn1)O 62a_100012180447_100000744096 [0,2,0,0,0,0|2,0,0]=4 7751 B12R1.49 CC(CO)Sc1ccc(nc1)Br 62a_100012180447_100009814638 [0,2,0,0,0,0|2,0,0]=4 7752 B12R1.49 CC(CO)Sc1ccc(nc1)Cl 62a_100012180447_100000034144 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.49 CC(CO)Sc1ccc(nc1)F 62a_100012180447_100000042367 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.49 CC(CO)Sc1ccc(nc1)N 62a_100012180447_100000187370 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,2,0,0,0,0|2,0,0]=4 7758 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,2,0,0,0,0|1,0,1]=4 7760 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,2,0,0,0,0|1,0,1]=4 7761 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,2,0,0,0,0|1,0,1]=4 7762 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,2,0,0,0,0|1,0,1]=4 7763 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,2,0,0,0,0|1,0,1]=4 7764 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,2,0,0,0,0|1,0,1]=4 7765 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,2,0,0,0,0|1,0,1]=4 7766 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,2,0,0,0,0|1,0,1]=4 7767 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,2,0,0,0,0|1,0,1]=4 7768 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,2,0,0,0,0|1,0,1]=4 7769 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,2,0,0,0,0|1,0,1]=4 7770 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,2,0,0,0,0|2,0,0]=4 7773 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,2,0,0,0,0|2,0,0]=4 7774 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,2,0,0,0,0|2,0,0]=4 7775 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,2,0,0,0,0|2,0,0]=4 7777 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,2,0,0,0,0|2,0,0]=4 7778 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,2,0,0,0,0|2,0,0]=4 7779 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,2,0,0,0,0|2,0,0]=4 7785 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,2,0,0,0,0|2,0,0]=4 7786 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,2,0,0,0,0|2,0,0]=4 7787 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,2,0,0,0,0|2,0,0]=4 7794 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,2,0,0,0,0|2,0,0]=4 7795 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [0,2,0,0,0,0|2,0,0]=4 7804 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [0,2,0,0,0,0|2,0,0]=4 7806 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,2,0,0,0,0|2,0,0]=4 7814 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,2,0,0,0,0|2,0,0]=4 7815 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,2,0,0,0,0|2,0,0]=4 7816 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,2,0,0,0,0|2,0,0]=4 7817 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,2,0,0,0,0|2,0,0]=4 7818 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,2,0,0,0,0|2,0,0]=4 7819 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,2,0,0,0,0|2,0,0]=4 7820 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,2,0,0,0,0|2,0,0]=4 7821 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [0,2,0,0,0,0|2,0,0]=4 7822 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [0,2,0,0,0,0|2,0,0]=4 7823 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [0,2,0,0,0,0|2,0,0]=4 7824 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [0,2,0,0,0,0|2,0,0]=4 7825 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [0,2,0,0,0,0|2,0,0]=4 7827 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [0,2,0,0,0,0|2,0,0]=4 7828 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [0,2,0,0,0,0|2,0,0]=4 7829 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [0,2,0,0,0,0|2,0,0]=4 7830 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [0,2,0,0,0,0|2,0,0]=4 7831 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,2,0,0,0,0|2,0,0]=4 7832 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,2,0,0,0,0|2,0,0]=4 7833 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,2,0,0,0,0|2,0,0]=4 7834 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [0,2,0,0,0,0|2,0,0]=4 7835 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [0,2,0,0,0,0|2,0,0]=4 7836 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,2,0,0,0,0|2,0,0]=4 7837 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.49 CN(CF)Cc1ccc(cc1)Br 269982a_100000180866_100015361967 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 269982a_100000184517_100015361967 [0,2,0,0,0,0|2,0,0]=4 7846 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 34a_100000184517_100015361967 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.49 CN(CF)Cc1ccc(cc1)F 269982a_100000184576_100015361967 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.49 CN(CF)Cc1ccc(cc1)F 34a_100000184576_100015361967 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.49 CN(CF)Cc1ccc(cc1)O 269982a_100000207500_100015361967 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.49 C[C@H](CO)Nc1ccc(cn1)Br 27a_100000737577_100000686858 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.49 C[C@H](CO)Sc1cc[n+](cc1)[O-] 62a_100016084084_100000039755 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100000212171_100016084084 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100016084084_100000212171 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,2,0,0,0,0|1,0,0]=3 7864 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,2,0,0,0,0|1,0,0]=3 7865 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,2,0,0,0,0|1,0,0]=3 7866 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,2,0,0,0,0|1,0,0]=3 7867 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,2,0,0,0,0|1,0,0]=3 7868 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,2,0,0,0,0|1,0,0]=3 7869 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,2,0,0,0,0|1,0,0]=3 7872 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100000686858_100016084084 [0,2,0,0,0,0|2,0,0]=4 7873 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100016084084_100000686858 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100011356976_100016084084 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100016084084_100011356976 [0,2,0,0,0,0|2,0,0]=4 7876 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100000744514_100016084084 [0,2,0,0,0,0|2,0,0]=4 7877 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100016084084_100000744514 [0,2,0,0,0,0|2,0,0]=4 7878 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100000737798_100016084084 [0,2,0,0,0,0|2,0,0]=4 7879 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100016084084_100000737798 [0,2,0,0,0,0|2,0,0]=4 7880 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100000685995_100016084084 [0,2,0,0,0,0|2,0,0]=4 7881 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100016084084_100000744096 [0,2,0,0,0,0|2,0,0]=4 7882 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100009814638_100016084084 [0,2,0,0,0,0|2,0,0]=4 7883 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100016084084_100009814638 [0,2,0,0,0,0|2,0,0]=4 7884 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100000034144_100016084084 [0,2,0,0,0,0|2,0,0]=4 7885 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100016084084_100000034144 [0,2,0,0,0,0|2,0,0]=4 7886 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100000042367_100016084084 [0,2,0,0,0,0|2,0,0]=4 7887 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100016084084_100000042367 [0,2,0,0,0,0|2,0,0]=4 7888 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100000187370_100016084084 [0,2,0,0,0,0|2,0,0]=4 7889 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100016084084_100000187370 [0,2,0,0,0,0|2,0,0]=4 7890 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,2,0,0,0,0|1,0,1]=4 7891 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|0,0,1]=3 7892 B12R1.49 Cc1ccc(cc1)CN(C)CF 269982a_100000744650_100015361967 [0,2,0,0,0,0|2,0,0]=4 7893 B12R1.49 Cc1ccc(cc1)CN(C)CF 34a_100000744650_100015361967 [0,2,0,0,0,0|2,0,0]=4 7894 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,2,0,0,0,0|1,0,1]=4 7895 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,2,0,0,0,0|1,0,1]=4 7896 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,2,0,0,0,0|1,0,0]=3 7897 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,2,0,0,0,0|1,0,0]=3 7898 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,2,0,0,0,0|1,0,0]=3 7899 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,2,0,0,0,0|1,0,0]=3 7900 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,2,0,0,0,0|1,0,0]=3 7901 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,2,0,0,0,0|1,0,0]=3 7902 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,2,0,0,0,0|1,0,1]=4 7903 B12R1.49 Cc1ccc(cn1)OC(C)CO 34a_100000745506_100012180447 [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.49 Cc1ccc(cn1)OC(C)CO 7a_100000745506_100012180447 [0,2,0,0,0,0|2,0,0]=4 7905 B12R1.49 Cc1ccc(cn1)SC(C)CO 62a_100012180447_100000751577 [0,2,0,0,0,0|2,0,0]=4 7906 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100000751577_100016084084 [0,2,0,0,0,0|2,0,0]=4 7907 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100016084084_100000751577 [0,2,0,0,0,0|2,0,0]=4 7908 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,2,0,0,0,0|1,0,1]=4 7909 B12R1.49 Cc1ccc(nc1)OC(C)CO 34a_100000759353_100012180447 [0,2,0,0,0,0|2,0,0]=4 7910 B12R1.49 Cc1ccc(nc1)SC(C)CO 62a_100012180447_100000754016 [0,2,0,0,0,0|2,0,0]=4 7911 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100011192072_100016084084 [0,2,0,0,0,0|2,0,0]=4 7912 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000754016 [0,2,0,0,0,0|2,0,0]=4 7913 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,2,0,0,0,0|1,0,1]=4 7914 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,2,0,0,0,0|1,0,1]=4 7915 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,2,0,0,0,0|1,0,1]=4 7916 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,2,0,0,0,0|1,0,1]=4 7917 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,2,0,0,0,0|1,0,1]=4 7918 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|0,0,1]=3 7919 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|0,0,1]=3 7920 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|0,0,1]=3 7921 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|0,0,1]=3 7922 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,2,0,0,0,0|1,0,1]=4 7923 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,2,0,0,0,0|1,0,1]=4 7924 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,2,0,0,0,0|1,0,1]=4 7925 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,2,0,0,0,0|1,0,1]=4 7926 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,2,0,0,0,0|1,0,1]=4 7927 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,2,0,0,0,0|1,0,1]=4 7928 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,2,0,0,0,0|1,0,1]=4 7929 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,2,0,0,0,0|1,0,1]=4 7930 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,2,0,0,0,0|1,0,1]=4 7931 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,2,0,0,0,0|1,0,1]=4 7932 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,2,0,0,0,0|1,0,1]=4 7933 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,2,0,0,0,0|1,0,1]=4 7934 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,2,0,0,0,0|1,0,1]=4 7935 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,2,0,0,0,0|1,0,1]=4 7936 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|1,0,1]=4 7937 B12R1.69 CCCCc1c[nH]c(=O)cc1F 271570a_100020621405_100015631685 [0,2,0,0,0,0|2,0,0]=4 7938 B12R1.69 CCCCc1cc[n+](cc1C)[O-] 271570a_100020621405_100000074940 [0,2,0,0,0,0|2,0,0]=4 7939 B12R1.69 CCCCc1ccc(=O)[nH]c1N 271570a_100020621405_100009884077 [0,2,0,0,0,0|2,0,0]=4 7940 B12R1.69 CCCCc1ccc(c[n+]1[O-])C 271570a_100020621405_100009819918 [0,2,0,0,0,0|2,0,0]=4 7941 B12R1.69 CCCCc1ccc(c[n+]1[O-])F 271570a_100020621405_100009817261 [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [0,2,0,0,0,0|1,0,0]=3 7943 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,2,0,0,0,0|1,0,0]=3 7944 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [0,2,0,0,0,0|1,0,0]=3 7945 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [0,2,0,0,0,0|1,0,0]=3 7946 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [0,2,0,0,0,0|1,0,0]=3 7947 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,2,0,0,0,0|1,0,0]=3 7948 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [0,2,0,0,0,0|1,0,0]=3 7949 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,2,0,0,0,0|1,0,0]=3 7950 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [0,2,0,0,0,0|1,0,0]=3 7951 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [0,2,0,0,0,0|1,0,0]=3 7952 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [0,2,0,0,0,0|1,0,0]=3 7953 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,2,0,0,0,0|1,0,0]=3 7954 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [0,2,0,0,0,0|1,0,0]=3 7955 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,2,0,0,0,0|1,0,0]=3 7956 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [0,2,0,0,0,0|1,0,0]=3 7957 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [0,2,0,0,0,0|1,0,0]=3 7958 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [0,2,0,0,0,0|1,0,0]=3 7959 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,2,0,0,0,0|1,0,0]=3 7960 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [0,2,0,0,0,0|1,0,0]=3 7961 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,2,0,0,0,0|1,0,0]=3 7962 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [0,2,0,0,0,0|1,0,0]=3 7963 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [0,2,0,0,0,0|1,0,0]=3 7964 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [0,2,0,0,0,0|1,0,0]=3 7965 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,2,0,0,0,0|1,0,0]=3 7966 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [0,2,0,0,0,0|1,0,0]=3 7967 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,2,0,0,0,0|1,0,0]=3 7968 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [0,2,0,0,0,0|1,0,0]=3 7969 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [0,2,0,0,0,0|1,0,0]=3 7970 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [0,2,0,0,0,0|1,0,0]=3 7971 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,2,0,0,0,0|1,0,0]=3 7972 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,2,0,0,0,0|1,0,0]=3 7973 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,2,0,0,0,0|1,0,0]=3 7974 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,2,0,0,0,0|1,0,0]=3 7975 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,2,0,0,0,0|1,0,0]=3 7976 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,2,0,0,0,0|1,0,0]=3 7977 B12R1.69 CCCCc1ccc(nc1Br)N 271570a_100020621405_100010734177 [0,2,0,0,0,0|2,0,0]=4 7978 B12R1.69 CCCCc1ccc(nc1C)C 271570a_100020621405_100009813853 [0,2,0,0,0,0|2,0,0]=4 7979 B12R1.69 CCCCc1ccc(nc1C)Cl 271570a_100020621405_100000062408 [0,2,0,0,0,0|2,0,0]=4 7980 B12R1.69 CCCCc1ccc(nc1C)F 271570a_100020621405_100000688911 [0,2,0,0,0,0|2,0,0]=4 7981 B12R1.69 CCCCc1ccc(nc1C)N 271570a_100020621405_100000013003 [0,2,0,0,0,0|2,0,0]=4 7982 B12R1.69 CCCCc1ccc(nc1C)O 271570a_100020621405_100000691680 [0,2,0,0,0,0|2,0,0]=4 7983 B12R1.69 CCCCc1ccc(nc1Cl)Br 271570a_100020621405_100010246183 [0,2,0,0,0,0|2,0,0]=4 7984 B12R1.69 CCCCc1ccc(nc1Cl)N 271570a_100020621405_100010270343 [0,2,0,0,0,0|2,0,0]=4 7985 B12R1.69 CCCCc1ccc(nc1F)C 271570a_100020621405_100010006597 [0,2,0,0,0,0|2,0,0]=4 7986 B12R1.69 CCCCc1ccc(nc1F)Cl 271570a_100020621405_100010168078 [0,2,0,0,0,0|2,0,0]=4 7987 B12R1.69 CCCCc1ccc(nc1F)F 271570a_100020621405_100000070099 [0,2,0,0,0,0|2,0,0]=4 7988 B12R1.69 CCCCc1ccc(nc1F)N 271570a_100020621405_100009882772 [0,2,0,0,0,0|2,0,0]=4 7989 B12R1.69 CCCCc1ccc(nc1F)O 271570a_100020621405_100009879308 [0,2,0,0,0,0|2,0,0]=4 7990 B12R1.69 CCCCc1ccc(nc1N)C 271570a_100020621405_100009816662 [0,2,0,0,0,0|2,0,0]=4 7991 B12R1.69 CCCCc1ccc(nc1N)Cl 271570a_100020621405_100010171640 [0,2,0,0,0,0|2,0,0]=4 7992 B12R1.69 CCCCc1ccc(nc1N)F 271570a_100020621405_100009854977 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.69 CCCCc1ccc(nc1N)N 271570a_100020621405_100011356871 [0,2,0,0,0,0|2,0,0]=4 7994 B12R1.69 CCCCc1ccc(nc1O)C 271570a_100020621405_100009817604 [0,2,0,0,0,0|2,0,0]=4 7995 B12R1.69 CCCCc1cnc(cc1Br)F 271570a_100020621405_100015451857 [0,2,0,0,0,0|2,0,0]=4 7996 B12R1.69 CCCCc1cnc(cc1Br)N 271570a_100020621405_100010074611 [0,2,0,0,0,0|2,0,0]=4 7997 B12R1.69 CCCCc1cnc(cc1C)Br 271570a_100020621405_100009816104 [0,2,0,0,0,0|2,0,0]=4 7998 B12R1.69 CCCCc1cnc(cc1C)C 271570a_100020621405_100009819613 [0,2,0,0,0,0|2,0,0]=4 7999 B12R1.69 CCCCc1cnc(cc1C)Cl 271570a_100020621405_100010172789 [0,2,0,0,0,0|2,0,0]=4 8000 B12R1.69 CCCCc1cnc(cc1C)F 271570a_100020621405_100009820716 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.69 CCCCc1cnc(cc1C)N 271570a_100020621405_100000050067 [0,2,0,0,0,0|2,0,0]=4 8002 B12R1.69 CCCCc1cnc(cc1C)O 271570a_100020621405_100010114363 [0,2,0,0,0,0|2,0,0]=4 8003 B12R1.69 CCCCc1cnc(cc1Cl)Br 271570a_100020621405_100010381092 [0,2,0,0,0,0|2,0,0]=4 8004 B12R1.69 CCCCc1cnc(cc1Cl)Cl 271570a_100020621405_100010200927 [0,2,0,0,0,0|2,0,0]=4 8005 B12R1.69 CCCCc1cnc(cc1Cl)N 271570a_100020621405_100000694920 [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.69 CCCCc1cnc(cc1F)Cl 271570a_100020621405_100010128100 [0,2,0,0,0,0|2,0,0]=4 8007 B12R1.69 CCCCc1cnc(cc1F)N 271570a_100020621405_100009844730 [0,2,0,0,0,0|2,0,0]=4 8008 B12R1.69 CCCCc1cnc(cc1N)C 271570a_100020621405_100009817891 [0,2,0,0,0,0|2,0,0]=4 8009 B12R1.69 CCCCc1cnc(cc1N)N 271570a_100020621405_200009857908 [0,2,0,0,0,0|2,0,0]=4 8010 B12R1.69 CCCCc1cnc(cc1O)C 271570a_100020621405_100011016184 [0,2,0,0,0,0|2,0,0]=4 8011 B12R1.69 CCCCc1ncc(cc1Br)Cl 271570a_100020621405_100012154958 [0,2,0,0,0,0|2,0,0]=4 8012 B12R1.69 CCCCc1ncc(cc1C)Br 271570a_100020621405_100012353652 [0,2,0,0,0,0|2,0,0]=4 8013 B12R1.69 CCCCc1ncc(cc1C)C 271570a_100020621405_100009864548 [0,2,0,0,0,0|2,0,0]=4 8014 B12R1.69 CCCCc1ncc(cc1C)F 271570a_100020621405_100009817009 [0,2,0,0,0,0|2,0,0]=4 8015 B12R1.69 CCCCc1ncc(cc1C)N 271570a_100020621405_100000761747 [0,2,0,0,0,0|2,0,0]=4 8016 B12R1.69 CCCCc1ncc(cc1C)O 271570a_100020621405_100012000486 [0,2,0,0,0,0|2,0,0]=4 8017 B12R1.69 CCCCc1ncc(cc1F)Br 271570a_100020621405_100012348576 [0,2,0,0,0,0|2,0,0]=4 8018 B12R1.69 CCCCc1ncc(cc1F)C 271570a_100020621405_100009819633 [0,2,0,0,0,0|2,0,0]=4 8019 B12R1.69 CCCCc1ncc(cc1F)Cl 271570a_100020621405_100012348686 [0,2,0,0,0,0|2,0,0]=4 8020 B12R1.69 CCCCc1ncc(cc1F)F 271570a_100020621405_100011219543 [0,2,0,0,0,0|2,0,0]=4 8021 B12R1.69 CCCCc1ncc(cc1F)N 271570a_100020621405_100010280766 [0,2,0,0,0,0|2,0,0]=4 8022 B12R1.69 CCCCc1ncc(cc1F)O 271570a_100020621405_100000063512 [0,2,0,0,0,0|2,0,0]=4 8023 B12R1.69 CCCCc1ncc(cc1N)Br 271570a_100020621405_100010090555 [0,2,0,0,0,0|2,0,0]=4 8024 B12R1.69 CCCCc1ncc(cc1N)C 271570a_100020621405_100000733613 [0,2,0,0,0,0|2,0,0]=4 8025 B12R1.69 CCCCc1ncc(cc1N)F 271570a_100020621405_100009817643 [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.69 CCCCc1ncc(cc1N)N 271570a_100020621405_200000093520 [0,2,0,0,0,0|2,0,0]=4 8027 B12R1.69 CCCCc1ncc(cc1O)Br 271570a_100020621405_100010210634 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.69 CCCCc1ncc(cc1O)C 271570a_100020621405_100012000487 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.69 CCCCc1ncc(cc1O)Cl 271570a_100020621405_100010233512 [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.69 CCCCc1ncc(cc1O)F 271570a_100020621405_100000079967 [0,2,0,0,0,0|2,0,0]=4 8031 B12R1.69 CCCNc1ccc(cc1Br)Br 34a_100000211012_100000210303 [0,2,0,0,0,0|2,0,0]=4 8032 B12R1.69 CCCNc1ccc(cc1Br)C 34a_100000210942_100000210303 [0,2,0,0,0,0|2,0,0]=4 8033 B12R1.69 CCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210303 [0,2,0,0,0,0|2,0,0]=4 8034 B12R1.69 CCCNc1ccc(cc1Br)F 34a_100000738039_100000210303 [0,2,0,0,0,0|2,0,0]=4 8035 B12R1.69 CCCNc1ccc(cc1Br)O 34a_100012001276_100000210303 [0,2,0,0,0,0|2,0,0]=4 8036 B12R1.69 CCCNc1ccc(cc1C)Br 34a_100000211769_100000210303 [0,2,0,0,0,0|2,0,0]=4 8037 B12R1.69 CCCNc1ccc(cc1C)Br 7a_100000211769_100000210303 [0,2,0,0,0,0|2,0,0]=4 8038 B12R1.69 CCCNc1ccc(cc1C)C 34a_100000736561_100000210303 [0,2,0,0,0,0|2,0,0]=4 8039 B12R1.69 CCCNc1ccc(cc1C)C 7a_100000736561_100000210303 [0,2,0,0,0,0|2,0,0]=4 8040 B12R1.69 CCCNc1ccc(cc1C)Cl 34a_100000210418_100000210303 [0,2,0,0,0,0|2,0,0]=4 8041 B12R1.69 CCCNc1ccc(cc1C)Cl 7a_100000210418_100000210303 [0,2,0,0,0,0|2,0,0]=4 8042 B12R1.69 CCCNc1ccc(cc1C)F 34a_100000211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 8043 B12R1.69 CCCNc1ccc(cc1C)F 7a_100000211637_100000210303 [0,2,0,0,0,0|2,0,0]=4 8044 B12R1.69 CCCNc1ccc(cc1C)I 34a_100000184554_100000210303 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.69 CCCNc1ccc(cc1C)I 7a_100000184554_100000210303 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.69 CCCNc1ccc(cc1C)O 34a_100000756630_100000210303 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.69 CCCNc1ccc(cc1Cl)Br 34a_100000211467_100000210303 [0,2,0,0,0,0|2,0,0]=4 8048 B12R1.69 CCCNc1ccc(cc1Cl)C 34a_100000210522_100000210303 [0,2,0,0,0,0|2,0,0]=4 8049 B12R1.69 CCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210303 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.69 CCCNc1ccc(cc1Cl)F 34a_100000212003_100000210303 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.69 CCCNc1ccc(cc1Cl)I 34a_100011218065_100000210303 [0,2,0,0,0,0|2,0,0]=4 8052 B12R1.69 CCCNc1ccc(cc1Cl)O 34a_100011215599_100000210303 [0,2,0,0,0,0|2,0,0]=4 8053 B12R1.69 CCCNc1ccc(cc1F)Br 34a_100000210722_100000210303 [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.69 CCCNc1ccc(cc1F)C 34a_100000211023_100000210303 [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.69 CCCNc1ccc(cc1F)Cl 34a_100000211020_100000210303 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.69 CCCNc1ccc(cc1F)F 34a_100000210720_100000210303 [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.69 CCCNc1ccc(cc1F)I 34a_100011215594_100000210303 [0,2,0,0,0,0|2,0,0]=4 8058 B12R1.69 CCCNc1ccc(cc1F)O 34a_100000759473_100000210303 [0,2,0,0,0,0|2,0,0]=4 8059 B12R1.69 CCCNc1ccc(cc1I)Br 34a_100000187925_100000210303 [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.69 CCCNc1ccc(cc1I)C 34a_100011356834_100000210303 [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.69 CCCNc1ccc(cc1I)Cl 34a_100000761889_100000210303 [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.69 CCCNc1ccc(cc1I)F 34a_100000760547_100000210303 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.69 CCCNc1ccc(cc1I)O 34a_100010084370_100000210303 [0,2,0,0,0,0|2,0,0]=4 8064 B12R1.69 CCCNc1ccc(cc1O)Br 34a_100000739049_100000210303 [0,2,0,0,0,0|2,0,0]=4 8065 B12R1.69 CCCNc1ccc(cc1O)C 34a_100000211527_100000210303 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.69 CCCNc1ccc(cc1O)Cl 34a_100000185728_100000210303 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.69 CCCNc1ccc(cc1O)F 34a_100000753323_100000210303 [0,2,0,0,0,0|2,0,0]=4 8068 B12R1.69 CCCNc1ccc(cc1O)O 34a_100000106777_100000210303 [0,2,0,0,0,0|2,0,0]=4 8069 B12R1.69 CCCOc1ccc(cc1Br)Br 34a_100000188717_100000210303 [0,2,0,0,0,0|2,0,0]=4 8070 B12R1.69 CCCOc1ccc(cc1Br)Br 7a_100000188717_100000210303 [0,2,0,0,0,0|2,0,0]=4 8071 B12R1.69 CCCOc1ccc(cc1Br)C 34a_100000210800_100000210303 [0,2,0,0,0,0|2,0,0]=4 8072 B12R1.69 CCCOc1ccc(cc1Br)C 7a_100000210800_100000210303 [0,2,0,0,0,0|2,0,0]=4 8073 B12R1.69 CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210303 [0,2,0,0,0,0|2,0,0]=4 8074 B12R1.69 CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210303 [0,2,0,0,0,0|2,0,0]=4 8075 B12R1.69 CCCOc1ccc(cc1Br)F 34a_100000211999_100000210303 [0,2,0,0,0,0|2,0,0]=4 8076 B12R1.69 CCCOc1ccc(cc1Br)F 7a_100000211999_100000210303 [0,2,0,0,0,0|2,0,0]=4 8077 B12R1.69 CCCOc1ccc(cc1Br)I 34a_100012361655_100000210303 [0,2,0,0,0,0|2,0,0]=4 8078 B12R1.69 CCCOc1ccc(cc1Br)I 7a_100012361655_100000210303 [0,2,0,0,0,0|2,0,0]=4 8079 B12R1.69 CCCOc1ccc(cc1Br)N 34a_100011534360_100000210303 [0,2,0,0,0,0|2,0,0]=4 8080 B12R1.69 CCCOc1ccc(cc1Br)N 7a_100011534360_100000210303 [0,2,0,0,0,0|2,0,0]=4 8081 B12R1.69 CCCOc1ccc(cc1C)Br 34a_100000186361_100000210303 [0,2,0,0,0,0|2,0,0]=4 8082 B12R1.69 CCCOc1ccc(cc1C)Br 7a_100000186361_100000210303 [0,2,0,0,0,0|2,0,0]=4 8083 B12R1.69 CCCOc1ccc(cc1C)C 34a_100000211776_100000210303 [0,2,0,0,0,0|2,0,0]=4 8084 B12R1.69 CCCOc1ccc(cc1C)C 7a_100000211776_100000210303 [0,2,0,0,0,0|2,0,0]=4 8085 B12R1.69 CCCOc1ccc(cc1C)Cl 34a_100000211091_100000210303 [0,2,0,0,0,0|2,0,0]=4 8086 B12R1.69 CCCOc1ccc(cc1C)Cl 7a_100000211091_100000210303 [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.69 CCCOc1ccc(cc1C)F 34a_100000764316_100000210303 [0,2,0,0,0,0|2,0,0]=4 8088 B12R1.69 CCCOc1ccc(cc1C)F 7a_100000764316_100000210303 [0,2,0,0,0,0|2,0,0]=4 8089 B12R1.69 CCCOc1ccc(cc1C)I 34a_100011218673_100000210303 [0,2,0,0,0,0|2,0,0]=4 8090 B12R1.69 CCCOc1ccc(cc1C)I 7a_100011218673_100000210303 [0,2,0,0,0,0|2,0,0]=4 8091 B12R1.69 CCCOc1ccc(cc1C)N 34a_100011218179_100000210303 [0,2,0,0,0,0|2,0,0]=4 8092 B12R1.69 CCCOc1ccc(cc1C)N 7a_100011218179_100000210303 [0,2,0,0,0,0|2,0,0]=4 8093 B12R1.69 CCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210303 [0,2,0,0,0,0|2,0,0]=4 8094 B12R1.69 CCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210303 [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.69 CCCOc1ccc(cc1Cl)C 34a_100000749699_100000210303 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.69 CCCOc1ccc(cc1Cl)C 7a_100000749699_100000210303 [0,2,0,0,0,0|2,0,0]=4 8097 B12R1.69 CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210303 [0,2,0,0,0,0|2,0,0]=4 8098 B12R1.69 CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210303 [0,2,0,0,0,0|2,0,0]=4 8099 B12R1.69 CCCOc1ccc(cc1Cl)F 34a_100000212004_100000210303 [0,2,0,0,0,0|2,0,0]=4 8100 B12R1.69 CCCOc1ccc(cc1Cl)F 7a_100000212004_100000210303 [0,2,0,0,0,0|2,0,0]=4 8101 B12R1.69 CCCOc1ccc(cc1Cl)I 34a_100012360047_100000210303 [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.69 CCCOc1ccc(cc1Cl)I 7a_100012360047_100000210303 [0,2,0,0,0,0|2,0,0]=4 8103 B12R1.69 CCCOc1ccc(cc1Cl)N 34a_100000744943_100000210303 [0,2,0,0,0,0|2,0,0]=4 8104 B12R1.69 CCCOc1ccc(cc1Cl)N 7a_100000744943_100000210303 [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.69 CCCOc1ccc(cc1F)Br 34a_100000185481_100000210303 [0,2,0,0,0,0|2,0,0]=4 8106 B12R1.69 CCCOc1ccc(cc1F)Br 7a_100000185481_100000210303 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.69 CCCOc1ccc(cc1F)C 34a_100011216688_100000210303 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.69 CCCOc1ccc(cc1F)C 7a_100011216688_100000210303 [0,2,0,0,0,0|2,0,0]=4 8109 B12R1.69 CCCOc1ccc(cc1F)Cl 34a_100000230166_100000210303 [0,2,0,0,0,0|2,0,0]=4 8110 B12R1.69 CCCOc1ccc(cc1F)Cl 7a_100000230166_100000210303 [0,2,0,0,0,0|2,0,0]=4 8111 B12R1.69 CCCOc1ccc(cc1F)F 34a_100000230127_100000210303 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.69 CCCOc1ccc(cc1F)F 7a_100000230127_100000210303 [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.69 CCCOc1ccc(cc1F)I 34a_100011356965_100000210303 [0,2,0,0,0,0|2,0,0]=4 8114 B12R1.69 CCCOc1ccc(cc1F)I 7a_100011356965_100000210303 [0,2,0,0,0,0|2,0,0]=4 8115 B12R1.69 CCCOc1ccc(cc1F)N 34a_100011220035_100000210303 [0,2,0,0,0,0|2,0,0]=4 8116 B12R1.69 CCCOc1ccc(cc1F)N 7a_100011220035_100000210303 [0,2,0,0,0,0|2,0,0]=4 8117 B12R1.69 CCCOc1ccc(cc1I)Br 34a_100012355227_100000210303 [0,2,0,0,0,0|2,0,0]=4 8118 B12R1.69 CCCOc1ccc(cc1I)Br 7a_100012355227_100000210303 [0,2,0,0,0,0|2,0,0]=4 8119 B12R1.69 CCCOc1ccc(cc1I)C 34a_100000765521_100000210303 [0,2,0,0,0,0|2,0,0]=4 8120 B12R1.69 CCCOc1ccc(cc1I)C 7a_100000765521_100000210303 [0,2,0,0,0,0|2,0,0]=4 8121 B12R1.69 CCCOc1ccc(cc1I)Cl 34a_100011356953_100000210303 [0,2,0,0,0,0|2,0,0]=4 8122 B12R1.69 CCCOc1ccc(cc1I)Cl 7a_100011356953_100000210303 [0,2,0,0,0,0|2,0,0]=4 8123 B12R1.69 CCCOc1ccc(cc1I)F 34a_100012355409_100000210303 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.69 CCCOc1ccc(cc1I)F 7a_100012355409_100000210303 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.69 CCCOc1ccc(cc1I)I 7a_100010001573_100000210303 [0,2,0,0,0,0|2,0,0]=4 8126 B12R1.69 CCCOc1ccc(cc1N)Br 34a_100000752626_100000210303 [0,2,0,0,0,0|2,0,0]=4 8127 B12R1.69 CCCOc1ccc(cc1N)Br 7a_100000752626_100000210303 [0,2,0,0,0,0|2,0,0]=4 8128 B12R1.69 CCCOc1ccc(cc1N)C 34a_100011215204_100000210303 [0,2,0,0,0,0|2,0,0]=4 8129 B12R1.69 CCCOc1ccc(cc1N)C 7a_100011215204_100000210303 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.69 CCCOc1ccc(cc1N)Cl 34a_100000210500_100000210303 [0,2,0,0,0,0|2,0,0]=4 8131 B12R1.69 CCCOc1ccc(cc1N)Cl 7a_100000210500_100000210303 [0,2,0,0,0,0|2,0,0]=4 8132 B12R1.69 CCCOc1ccc(cc1N)F 34a_100000759472_100000210303 [0,2,0,0,0,0|2,0,0]=4 8133 B12R1.69 CCCOc1ccc(cc1N)F 7a_100000759472_100000210303 [0,2,0,0,0,0|2,0,0]=4 8134 B12R1.69 CCCOc1ccc(cc1N)I 34a_100000753495_100000210303 [0,2,0,0,0,0|2,0,0]=4 8135 B12R1.69 CCCOc1ccc(cc1N)I 7a_100000753495_100000210303 [0,2,0,0,0,0|2,0,0]=4 8136 B12R1.69 CCCOc1ccc(cc1N)N 34a_100000725306_100000210303 [0,2,0,0,0,0|2,0,0]=4 8137 B12R1.69 CCCOc1ccc(cc1O)F 271570a_203496583355_200000171698 [0,2,0,0,0,0|2,0,0]=4 8138 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100000210303_100011484698 [0,2,0,0,0,0|2,0,0]=4 8139 B12R1.69 CCCSc1ccc(cc1Br)Br 62a_100011484698_100000210303 [0,2,0,0,0,0|2,0,0]=4 8140 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100000210303_100009813563 [0,2,0,0,0,0|2,0,0]=4 8141 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100009813563_100000210303 [0,2,0,0,0,0|2,0,0]=4 8142 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100000210303_100011219703 [0,2,0,0,0,0|2,0,0]=4 8143 B12R1.69 CCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210303 [0,2,0,0,0,0|2,0,0]=4 8144 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100000210303_100011217111 [0,2,0,0,0,0|2,0,0]=4 8145 B12R1.69 CCCSc1ccc(cc1Br)F 62a_100011217111_100000210303 [0,2,0,0,0,0|2,0,0]=4 8146 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000210303_100000750458 [0,2,0,0,0,0|2,0,0]=4 8147 B12R1.69 CCCSc1ccc(cc1Br)N 62a_100000750458_100000210303 [0,2,0,0,0,0|2,0,0]=4 8148 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000210303_100000701344 [0,2,0,0,0,0|2,0,0]=4 8149 B12R1.69 CCCSc1ccc(cc1Br)O 62a_100000701344_100000210303 [0,2,0,0,0,0|2,0,0]=4 8150 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000210303_100000701812 [0,2,0,0,0,0|2,0,0]=4 8151 B12R1.69 CCCSc1ccc(cc1C)Br 62a_100000701812_100000210303 [0,2,0,0,0,0|2,0,0]=4 8152 B12R1.69 CCCSc1ccc(cc1C)C 62a_100000210303_100011217332 [0,2,0,0,0,0|2,0,0]=4 8153 B12R1.69 CCCSc1ccc(cc1C)C 62a_100011217332_100000210303 [0,2,0,0,0,0|2,0,0]=4 8154 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100000210303_100011219607 [0,2,0,0,0,0|2,0,0]=4 8155 B12R1.69 CCCSc1ccc(cc1C)Cl 62a_100011219607_100000210303 [0,2,0,0,0,0|2,0,0]=4 8156 B12R1.69 CCCSc1ccc(cc1C)F 62a_100000210303_100011205405 [0,2,0,0,0,0|2,0,0]=4 8157 B12R1.69 CCCSc1ccc(cc1C)F 62a_100011205405_100000210303 [0,2,0,0,0,0|2,0,0]=4 8158 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210303_100000210723 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.69 CCCSc1ccc(cc1C)N 62a_100000210723_100000210303 [0,2,0,0,0,0|2,0,0]=4 8160 B12R1.69 CCCSc1ccc(cc1C)O 62a_100000210303_100000690111 [0,2,0,0,0,0|2,0,0]=4 8161 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100000210303_100011216062 [0,2,0,0,0,0|2,0,0]=4 8162 B12R1.69 CCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210303 [0,2,0,0,0,0|2,0,0]=4 8163 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100000210303_100011263221 [0,2,0,0,0,0|2,0,0]=4 8164 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100011263221_100000210303 [0,2,0,0,0,0|2,0,0]=4 8165 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000210303_100000699841 [0,2,0,0,0,0|2,0,0]=4 8166 B12R1.69 CCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210303 [0,2,0,0,0,0|2,0,0]=4 8167 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000210303_100000733362 [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.69 CCCSc1ccc(cc1Cl)F 62a_100000733362_100000210303 [0,2,0,0,0,0|2,0,0]=4 8169 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000210303_100000761885 [0,2,0,0,0,0|2,0,0]=4 8170 B12R1.69 CCCSc1ccc(cc1Cl)N 62a_100000761885_100000210303 [0,2,0,0,0,0|2,0,0]=4 8171 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000047559_100000210303 [0,2,0,0,0,0|2,0,0]=4 8172 B12R1.69 CCCSc1ccc(cc1Cl)O 62a_100000210303_100000047559 [0,2,0,0,0,0|2,0,0]=4 8173 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100000210303_100009814013 [0,2,0,0,0,0|2,0,0]=4 8174 B12R1.69 CCCSc1ccc(cc1F)Br 62a_100009814013_100000210303 [0,2,0,0,0,0|2,0,0]=4 8175 B12R1.69 CCCSc1ccc(cc1F)C 62a_100000210303_100011216119 [0,2,0,0,0,0|2,0,0]=4 8176 B12R1.69 CCCSc1ccc(cc1F)C 62a_100011216119_100000210303 [0,2,0,0,0,0|2,0,0]=4 8177 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100000210303_100011216042 [0,2,0,0,0,0|2,0,0]=4 8178 B12R1.69 CCCSc1ccc(cc1F)Cl 62a_100011216042_100000210303 [0,2,0,0,0,0|2,0,0]=4 8179 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000210303_100000750030 [0,2,0,0,0,0|2,0,0]=4 8180 B12R1.69 CCCSc1ccc(cc1F)F 62a_100000750030_100000210303 [0,2,0,0,0,0|2,0,0]=4 8181 B12R1.69 CCCSc1ccc(cc1F)N 62a_100000210303_100011356925 [0,2,0,0,0,0|2,0,0]=4 8182 B12R1.69 CCCSc1ccc(cc1F)N 62a_100011356925_100000210303 [0,2,0,0,0,0|2,0,0]=4 8183 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000210303_100000755031 [0,2,0,0,0,0|2,0,0]=4 8184 B12R1.69 CCCSc1ccc(cc1F)O 62a_100000755031_100000210303 [0,2,0,0,0,0|2,0,0]=4 8185 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000210303_100000743836 [0,2,0,0,0,0|2,0,0]=4 8186 B12R1.69 CCCSc1ccc(cc1N)Br 62a_100000743836_100000210303 [0,2,0,0,0,0|2,0,0]=4 8187 B12R1.69 CCCSc1ccc(cc1N)C 62a_100000210303_100011216686 [0,2,0,0,0,0|2,0,0]=4 8188 B12R1.69 CCCSc1ccc(cc1N)C 62a_100011216686_100000210303 [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000210303_100000761886 [0,2,0,0,0,0|2,0,0]=4 8190 B12R1.69 CCCSc1ccc(cc1N)Cl 62a_100000761886_100000210303 [0,2,0,0,0,0|2,0,0]=4 8191 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000210303_100000687223 [0,2,0,0,0,0|2,0,0]=4 8192 B12R1.69 CCCSc1ccc(cc1N)F 62a_100000687223_100000210303 [0,2,0,0,0,0|2,0,0]=4 8193 B12R1.69 CCCSc1ccc(cc1N)N 62a_100000210303_200012175722 [0,2,0,0,0,0|2,0,0]=4 8194 B12R1.69 CCCSc1ccc(cc1N)N 62a_200012175722_100000210303 [0,2,0,0,0,0|2,0,0]=4 8195 B12R1.69 CCCSc1ccc(cc1N)O 62a_100000210303_100011999798 [0,2,0,0,0,0|2,0,0]=4 8196 B12R1.69 CCCSc1ccc(cc1N)O 62a_100011999798_100000210303 [0,2,0,0,0,0|2,0,0]=4 8197 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100000210303_100012344904 [0,2,0,0,0,0|2,0,0]=4 8198 B12R1.69 CCCSc1ccc(cc1O)Br 62a_100012344904_100000210303 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.69 CCCSc1ccc(cc1O)C 62a_100000210303_100012002257 [0,2,0,0,0,0|2,0,0]=4 8200 B12R1.69 CCCSc1ccc(cc1O)C 62a_100012002257_100000210303 [0,2,0,0,0,0|2,0,0]=4 8201 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000050036_100000210303 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.69 CCCSc1ccc(cc1O)Cl 62a_100000210303_100000050036 [0,2,0,0,0,0|2,0,0]=4 8203 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000210303_100000690578 [0,2,0,0,0,0|2,0,0]=4 8204 B12R1.69 CCCSc1ccc(cc1O)F 62a_100000690578_100000210303 [0,2,0,0,0,0|2,0,0]=4 8205 B12R1.69 CCCSc1ccc(cc1O)O 62a_100000210303_100009813921 [0,2,0,0,0,0|2,0,0]=4 8206 B12R1.69 CCNCc1ccc(cc1Br)Br 207a_100015525214_100012351556 [0,2,0,0,0,0|2,0,0]=4 8207 B12R1.69 CCNCc1ccc(cc1Br)Br 2230a_100015525214_200012351560 [0,2,0,0,0,0|2,0,0]=4 8208 B12R1.69 CCNCc1ccc(cc1Br)Br 270004a_100015525214_100012351556 [0,2,0,0,0,0|2,0,0]=4 8209 B12R1.69 CCNCc1ccc(cc1Br)C 207a_100015525214_100000692596 [0,2,0,0,0,0|2,0,0]=4 8210 B12R1.69 CCNCc1ccc(cc1Br)C 270004a_100015525214_100000692596 [0,2,0,0,0,0|2,0,0]=4 8211 B12R1.69 CCNCc1ccc(cc1Br)Cl 207a_100015525214_100000687667 [0,2,0,0,0,0|2,0,0]=4 8212 B12R1.69 CCNCc1ccc(cc1Br)Cl 2230a_100015525214_100000755608 [0,2,0,0,0,0|2,0,0]=4 8213 B12R1.69 CCNCc1ccc(cc1Br)Cl 270004a_100015525214_100000687667 [0,2,0,0,0,0|2,0,0]=4 8214 B12R1.69 CCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210202 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.69 CCNCc1ccc(cc1Br)F 207a_100015525214_100000685661 [0,2,0,0,0,0|2,0,0]=4 8216 B12R1.69 CCNCc1ccc(cc1Br)F 2230a_100015525214_100000243222 [0,2,0,0,0,0|2,0,0]=4 8217 B12R1.69 CCNCc1ccc(cc1Br)F 270004a_100015525214_100000685661 [0,2,0,0,0,0|2,0,0]=4 8218 B12R1.69 CCNCc1ccc(cc1Br)F 34a_100000708791_100000210202 [0,2,0,0,0,0|2,0,0]=4 8219 B12R1.69 CCNCc1ccc(cc1Br)I 207a_100015525214_100010185650 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.69 CCNCc1ccc(cc1Br)I 2230a_100015525214_100010146610 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.69 CCNCc1ccc(cc1C)Br 207a_100015525214_100000687586 [0,2,0,0,0,0|2,0,0]=4 8222 B12R1.69 CCNCc1ccc(cc1C)Br 2230a_100015525214_100000708836 [0,2,0,0,0,0|2,0,0]=4 8223 B12R1.69 CCNCc1ccc(cc1C)Br 270004a_100015525214_100000687586 [0,2,0,0,0,0|2,0,0]=4 8224 B12R1.69 CCNCc1ccc(cc1C)Br 34a_100000753881_100000210202 [0,2,0,0,0,0|2,0,0]=4 8225 B12R1.69 CCNCc1ccc(cc1C)C 207a_100015525214_100000211342 [0,2,0,0,0,0|2,0,0]=4 8226 B12R1.69 CCNCc1ccc(cc1C)C 2230a_100015525214_100011219618 [0,2,0,0,0,0|2,0,0]=4 8227 B12R1.69 CCNCc1ccc(cc1C)C 270004a_100015525214_100000211342 [0,2,0,0,0,0|2,0,0]=4 8228 B12R1.69 CCNCc1ccc(cc1C)C 34a_100000737523_100000210202 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.69 CCNCc1ccc(cc1C)Cl 207a_100015525214_100000766358 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.69 CCNCc1ccc(cc1C)Cl 2230a_100015525214_100012361307 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.69 CCNCc1ccc(cc1C)Cl 270004a_100015525214_100000766358 [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.69 CCNCc1ccc(cc1C)Cl 34a_103436540063_100000210202 [0,2,0,0,0,0|2,0,0]=4 8233 B12R1.69 CCNCc1ccc(cc1C)F 207a_100015525214_100000745986 [0,2,0,0,0,0|2,0,0]=4 8234 B12R1.69 CCNCc1ccc(cc1C)F 2230a_100015525214_100000700533 [0,2,0,0,0,0|2,0,0]=4 8235 B12R1.69 CCNCc1ccc(cc1C)F 270004a_100015525214_100000745986 [0,2,0,0,0,0|2,0,0]=4 8236 B12R1.69 CCNCc1ccc(cc1C)F 34a_100137329023_100000210202 [0,2,0,0,0,0|2,0,0]=4 8237 B12R1.69 CCNCc1ccc(cc1Cl)Br 207a_100015525214_100000764164 [0,2,0,0,0,0|2,0,0]=4 8238 B12R1.69 CCNCc1ccc(cc1Cl)Br 2230a_100015525214_100011740631 [0,2,0,0,0,0|2,0,0]=4 8239 B12R1.69 CCNCc1ccc(cc1Cl)Br 270004a_100015525214_100000764164 [0,2,0,0,0,0|2,0,0]=4 8240 B12R1.69 CCNCc1ccc(cc1Cl)Br 34a_100020628970_100000210202 [0,2,0,0,0,0|2,0,0]=4 8241 B12R1.69 CCNCc1ccc(cc1Cl)C 207a_100015525214_100011935181 [0,2,0,0,0,0|2,0,0]=4 8242 B12R1.69 CCNCc1ccc(cc1Cl)C 2230a_100015525214_100012349684 [0,2,0,0,0,0|2,0,0]=4 8243 B12R1.69 CCNCc1ccc(cc1Cl)C 270004a_100015525214_100011935181 [0,2,0,0,0,0|2,0,0]=4 8244 B12R1.69 CCNCc1ccc(cc1Cl)C 34a_100011997539_100000210202 [0,2,0,0,0,0|2,0,0]=4 8245 B12R1.69 CCNCc1ccc(cc1Cl)Cl 207a_100015525214_100000188887 [0,2,0,0,0,0|2,0,0]=4 8246 B12R1.69 CCNCc1ccc(cc1Cl)Cl 2230a_100015525214_100000188473 [0,2,0,0,0,0|2,0,0]=4 8247 B12R1.69 CCNCc1ccc(cc1Cl)Cl 270004a_100015525214_100000188887 [0,2,0,0,0,0|2,0,0]=4 8248 B12R1.69 CCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210202 [0,2,0,0,0,0|2,0,0]=4 8249 B12R1.69 CCNCc1ccc(cc1Cl)F 207a_100015525214_100000752949 [0,2,0,0,0,0|2,0,0]=4 8250 B12R1.69 CCNCc1ccc(cc1Cl)F 2230a_100015525214_100011216360 [0,2,0,0,0,0|2,0,0]=4 8251 B12R1.69 CCNCc1ccc(cc1Cl)F 270004a_100015525214_100000752949 [0,2,0,0,0,0|2,0,0]=4 8252 B12R1.69 CCNCc1ccc(cc1Cl)F 34a_100000174946_100000210202 [0,2,0,0,0,0|2,0,0]=4 8253 B12R1.69 CCNCc1ccc(cc1Cl)I 207a_100015525214_100000727542 [0,2,0,0,0,0|2,0,0]=4 8254 B12R1.69 CCNCc1ccc(cc1Cl)O 34a_200161156549_100000210202 [0,2,0,0,0,0|2,0,0]=4 8255 B12R1.69 CCNCc1ccc(cc1F)Br 207a_100015525214_100000211676 [0,2,0,0,0,0|2,0,0]=4 8256 B12R1.69 CCNCc1ccc(cc1F)Br 2230a_100015525214_100000211606 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.69 CCNCc1ccc(cc1F)Br 270004a_100015525214_100000211676 [0,2,0,0,0,0|2,0,0]=4 8258 B12R1.69 CCNCc1ccc(cc1F)Br 34a_100000754580_100000210202 [0,2,0,0,0,0|2,0,0]=4 8259 B12R1.69 CCNCc1ccc(cc1F)C 207a_100015525214_100011217368 [0,2,0,0,0,0|2,0,0]=4 8260 B12R1.69 CCNCc1ccc(cc1F)C 2230a_100015525214_100011217900 [0,2,0,0,0,0|2,0,0]=4 8261 B12R1.69 CCNCc1ccc(cc1F)C 270004a_100015525214_100011217368 [0,2,0,0,0,0|2,0,0]=4 8262 B12R1.69 CCNCc1ccc(cc1F)C 34a_100102887089_100000210202 [0,2,0,0,0,0|2,0,0]=4 8263 B12R1.69 CCNCc1ccc(cc1F)Cl 207a_100015525214_100000697372 [0,2,0,0,0,0|2,0,0]=4 8264 B12R1.69 CCNCc1ccc(cc1F)Cl 2230a_100015525214_100000709361 [0,2,0,0,0,0|2,0,0]=4 8265 B12R1.69 CCNCc1ccc(cc1F)Cl 270004a_100015525214_100000697372 [0,2,0,0,0,0|2,0,0]=4 8266 B12R1.69 CCNCc1ccc(cc1F)Cl 34a_100000708496_100000210202 [0,2,0,0,0,0|2,0,0]=4 8267 B12R1.69 CCNCc1ccc(cc1F)F 207a_100015525214_100000211964 [0,2,0,0,0,0|2,0,0]=4 8268 B12R1.69 CCNCc1ccc(cc1F)F 2230a_100015525214_100000748237 [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.69 CCNCc1ccc(cc1F)F 270004a_100015525214_100000211964 [0,2,0,0,0,0|2,0,0]=4 8270 B12R1.69 CCNCc1ccc(cc1F)F 34a_100000737868_100000210202 [0,2,0,0,0,0|2,0,0]=4 8271 B12R1.69 CCNCc1ccc(cc1F)I 207a_100015525214_100000050965 [0,2,0,0,0,0|2,0,0]=4 8272 B12R1.69 CCNCc1ccc(cc1F)I 2230a_100015525214_100010244991 [0,2,0,0,0,0|2,0,0]=4 8273 B12R1.69 CCNCc1ccc(cc1I)Br 207a_100015525214_100010146562 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.69 CCNCc1ccc(cc1I)Br 2230a_100015525214_100010146615 [0,2,0,0,0,0|2,0,0]=4 8275 B12R1.69 CCNCc1ccc(cc1I)Br 270004a_100015525214_100010146562 [0,2,0,0,0,0|2,0,0]=4 8276 B12R1.69 CCNCc1ccc(cc1I)C 207a_100015525214_100010150104 [0,2,0,0,0,0|2,0,0]=4 8277 B12R1.69 CCNCc1ccc(cc1I)C 270004a_100015525214_100010150104 [0,2,0,0,0,0|2,0,0]=4 8278 B12R1.69 CCNCc1ccc(cc1I)Cl 2230a_100015525214_100010254388 [0,2,0,0,0,0|2,0,0]=4 8279 B12R1.69 CCNCc1ccc(cc1I)F 207a_100015525214_100010254405 [0,2,0,0,0,0|2,0,0]=4 8280 B12R1.69 CCNCc1ccc(cc1I)F 2230a_100015525214_100012354799 [0,2,0,0,0,0|2,0,0]=4 8281 B12R1.69 CCOCc1ccc(cc1Br)Br 34a_100012357508_100000210202 [0,2,0,0,0,0|2,0,0]=4 8282 B12R1.69 CCOCc1ccc(cc1Br)Br 34a_100121572206_200012351560 [0,2,0,0,0,0|2,0,0]=4 8283 B12R1.69 CCOCc1ccc(cc1Br)Br 7a_100012357508_100000210202 [0,2,0,0,0,0|2,0,0]=4 8284 B12R1.69 CCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210202 [0,2,0,0,0,0|2,0,0]=4 8285 B12R1.69 CCOCc1ccc(cc1Br)Cl 34a_100121572206_100000755608 [0,2,0,0,0,0|2,0,0]=4 8286 B12R1.69 CCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210202 [0,2,0,0,0,0|2,0,0]=4 8287 B12R1.69 CCOCc1ccc(cc1Br)F 34a_100000744086_100000210202 [0,2,0,0,0,0|2,0,0]=4 8288 B12R1.69 CCOCc1ccc(cc1Br)F 34a_100121572206_100000243222 [0,2,0,0,0,0|2,0,0]=4 8289 B12R1.69 CCOCc1ccc(cc1Br)F 7a_100000744086_100000210202 [0,2,0,0,0,0|2,0,0]=4 8290 B12R1.69 CCOCc1ccc(cc1Br)I 34a_100121572206_100010146610 [0,2,0,0,0,0|2,0,0]=4 8291 B12R1.69 CCOCc1ccc(cc1Br)I 7a_100010240206_100000210202 [0,2,0,0,0,0|2,0,0]=4 8292 B12R1.69 CCOCc1ccc(cc1C)Br 34a_100000748258_100000210202 [0,2,0,0,0,0|2,0,0]=4 8293 B12R1.69 CCOCc1ccc(cc1C)Br 34a_100121572206_100000708836 [0,2,0,0,0,0|2,0,0]=4 8294 B12R1.69 CCOCc1ccc(cc1C)Br 7a_100000748258_100000210202 [0,2,0,0,0,0|2,0,0]=4 8295 B12R1.69 CCOCc1ccc(cc1C)C 34a_100011215341_100000210202 [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.69 CCOCc1ccc(cc1C)C 34a_100121572206_100011219618 [0,2,0,0,0,0|2,0,0]=4 8297 B12R1.69 CCOCc1ccc(cc1C)C 7a_100011215341_100000210202 [0,2,0,0,0,0|2,0,0]=4 8298 B12R1.69 CCOCc1ccc(cc1C)Cl 34a_100000702939_100000210202 [0,2,0,0,0,0|2,0,0]=4 8299 B12R1.69 CCOCc1ccc(cc1C)Cl 34a_100121572206_100012361307 [0,2,0,0,0,0|2,0,0]=4 8300 B12R1.69 CCOCc1ccc(cc1C)Cl 7a_100000702939_100000210202 [0,2,0,0,0,0|2,0,0]=4 8301 B12R1.69 CCOCc1ccc(cc1C)F 34a_100000700136_100000210202 [0,2,0,0,0,0|2,0,0]=4 8302 B12R1.69 CCOCc1ccc(cc1C)F 34a_100121572206_100000700533 [0,2,0,0,0,0|2,0,0]=4 8303 B12R1.69 CCOCc1ccc(cc1C)F 7a_100000700136_100000210202 [0,2,0,0,0,0|2,0,0]=4 8304 B12R1.69 CCOCc1ccc(cc1C)N 34a_100000102464_100000210202 [0,2,0,0,0,0|2,0,0]=4 8305 B12R1.69 CCOCc1ccc(cc1C)N 7a_100000102464_100000210202 [0,2,0,0,0,0|2,0,0]=4 8306 B12R1.69 CCOCc1ccc(cc1Cl)Br 34a_100000756401_100000210202 [0,2,0,0,0,0|2,0,0]=4 8307 B12R1.69 CCOCc1ccc(cc1Cl)Br 34a_100121572206_100011740631 [0,2,0,0,0,0|2,0,0]=4 8308 B12R1.69 CCOCc1ccc(cc1Cl)Br 7a_100000756401_100000210202 [0,2,0,0,0,0|2,0,0]=4 8309 B12R1.69 CCOCc1ccc(cc1Cl)C 34a_100000720314_100000210202 [0,2,0,0,0,0|2,0,0]=4 8310 B12R1.69 CCOCc1ccc(cc1Cl)C 34a_100121572206_100012349684 [0,2,0,0,0,0|2,0,0]=4 8311 B12R1.69 CCOCc1ccc(cc1Cl)C 7a_100000720314_100000210202 [0,2,0,0,0,0|2,0,0]=4 8312 B12R1.69 CCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210202 [0,2,0,0,0,0|2,0,0]=4 8313 B12R1.69 CCOCc1ccc(cc1Cl)Cl 34a_100121572206_100000188473 [0,2,0,0,0,0|2,0,0]=4 8314 B12R1.69 CCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210202 [0,2,0,0,0,0|2,0,0]=4 8315 B12R1.69 CCOCc1ccc(cc1Cl)F 34a_100011219954_100000210202 [0,2,0,0,0,0|2,0,0]=4 8316 B12R1.69 CCOCc1ccc(cc1Cl)F 34a_100121572206_100011216360 [0,2,0,0,0,0|2,0,0]=4 8317 B12R1.69 CCOCc1ccc(cc1Cl)F 7a_100011219954_100000210202 [0,2,0,0,0,0|2,0,0]=4 8318 B12R1.69 CCOCc1ccc(cc1Cl)N 34a_100000689119_100000210202 [0,2,0,0,0,0|2,0,0]=4 8319 B12R1.69 CCOCc1ccc(cc1F)Br 34a_100011191541_100000210202 [0,2,0,0,0,0|2,0,0]=4 8320 B12R1.69 CCOCc1ccc(cc1F)Br 34a_100121572206_100000211606 [0,2,0,0,0,0|2,0,0]=4 8321 B12R1.69 CCOCc1ccc(cc1F)Br 7a_100011191541_100000210202 [0,2,0,0,0,0|2,0,0]=4 8322 B12R1.69 CCOCc1ccc(cc1F)C 34a_100011216587_100000210202 [0,2,0,0,0,0|2,0,0]=4 8323 B12R1.69 CCOCc1ccc(cc1F)C 34a_100121572206_100012002367 [0,2,0,0,0,0|2,0,0]=4 8324 B12R1.69 CCOCc1ccc(cc1F)C 7a_100011216587_100000210202 [0,2,0,0,0,0|2,0,0]=4 8325 B12R1.69 CCOCc1ccc(cc1F)Cl 34a_100011217562_100000210202 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.69 CCOCc1ccc(cc1F)Cl 34a_100121572206_100000709361 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.69 CCOCc1ccc(cc1F)Cl 7a_100011217562_100000210202 [0,2,0,0,0,0|2,0,0]=4 8328 B12R1.69 CCOCc1ccc(cc1F)F 34a_100011215441_100000210202 [0,2,0,0,0,0|2,0,0]=4 8329 B12R1.69 CCOCc1ccc(cc1F)F 34a_100121572206_100000748237 [0,2,0,0,0,0|2,0,0]=4 8330 B12R1.69 CCOCc1ccc(cc1F)F 7a_100011215441_100000210202 [0,2,0,0,0,0|2,0,0]=4 8331 B12R1.69 CCOCc1ccc(cc1F)I 34a_100121572206_100010244991 [0,2,0,0,0,0|2,0,0]=4 8332 B12R1.69 CCOCc1ccc(cc1F)I 34a_200010202041_100000210202 [0,2,0,0,0,0|2,0,0]=4 8333 B12R1.69 CCOCc1ccc(cc1F)I 7a_200010202041_100000210202 [0,2,0,0,0,0|2,0,0]=4 8334 B12R1.69 CCOCc1ccc(cc1I)Br 34a_100121572206_100010146615 [0,2,0,0,0,0|2,0,0]=4 8335 B12R1.69 CCOCc1ccc(cc1I)Br 7a_100010146605_100000210202 [0,2,0,0,0,0|2,0,0]=4 8336 B12R1.69 CCOCc1ccc(cc1I)Cl 34a_100000722340_100000210202 [0,2,0,0,0,0|2,0,0]=4 8337 B12R1.69 CCOCc1ccc(cc1I)Cl 34a_100121572206_100010254388 [0,2,0,0,0,0|2,0,0]=4 8338 B12R1.69 CCOCc1ccc(cc1I)Cl 7a_100000722340_100000210202 [0,2,0,0,0,0|2,0,0]=4 8339 B12R1.69 CCOCc1ccc(cc1I)F 34a_100011356828_100000210202 [0,2,0,0,0,0|2,0,0]=4 8340 B12R1.69 CCOCc1ccc(cc1I)F 34a_100121572206_100012354799 [0,2,0,0,0,0|2,0,0]=4 8341 B12R1.69 CCOCc1ccc(cc1I)F 7a_100011356828_100000210202 [0,2,0,0,0,0|2,0,0]=4 8342 B12R1.69 CCOCc1ccc(cc1N)Br 34a_100000718831_100000210202 [0,2,0,0,0,0|2,0,0]=4 8343 B12R1.69 CCOCc1ccc(cc1N)Br 7a_100000718831_100000210202 [0,2,0,0,0,0|2,0,0]=4 8344 B12R1.69 CCOCc1ccc(cc1N)C 34a_100000087799_100000210202 [0,2,0,0,0,0|2,0,0]=4 8345 B12R1.69 CCOCc1ccc(cc1N)C 7a_100000087799_100000210202 [0,2,0,0,0,0|2,0,0]=4 8346 B12R1.69 CCOCc1ccc(cc1N)Cl 34a_100000238622_100000210202 [0,2,0,0,0,0|2,0,0]=4 8347 B12R1.69 CCOCc1ccc(cc1N)Cl 7a_100000238622_100000210202 [0,2,0,0,0,0|2,0,0]=4 8348 B12R1.69 CCOCc1ccc(cc1N)F 34a_100011996588_100000210202 [0,2,0,0,0,0|2,0,0]=4 8349 B12R1.69 CCSCc1ccc(cc1Br)Br 62a_100000210202_200012351560 [0,2,0,0,0,0|2,0,0]=4 8350 B12R1.69 CCSCc1ccc(cc1Br)Br 62a_200012351560_100000210202 [0,2,0,0,0,0|2,0,0]=4 8351 B12R1.69 CCSCc1ccc(cc1Br)Cl 62a_100000210202_100000755608 [0,2,0,0,0,0|2,0,0]=4 8352 B12R1.69 CCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210202 [0,2,0,0,0,0|2,0,0]=4 8353 B12R1.69 CCSCc1ccc(cc1Br)F 62a_100000210202_100000243222 [0,2,0,0,0,0|2,0,0]=4 8354 B12R1.69 CCSCc1ccc(cc1Br)F 62a_100000243222_100000210202 [0,2,0,0,0,0|2,0,0]=4 8355 B12R1.69 CCSCc1ccc(cc1Br)I 62a_100000210202_100010146610 [0,2,0,0,0,0|2,0,0]=4 8356 B12R1.69 CCSCc1ccc(cc1Br)I 62a_100010146610_100000210202 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.69 CCSCc1ccc(cc1C)Br 62a_100000210202_100000708836 [0,2,0,0,0,0|2,0,0]=4 8358 B12R1.69 CCSCc1ccc(cc1C)Br 62a_100000708836_100000210202 [0,2,0,0,0,0|2,0,0]=4 8359 B12R1.69 CCSCc1ccc(cc1C)C 62a_100000210202_100011219618 [0,2,0,0,0,0|2,0,0]=4 8360 B12R1.69 CCSCc1ccc(cc1C)C 62a_100011219618_100000210202 [0,2,0,0,0,0|2,0,0]=4 8361 B12R1.69 CCSCc1ccc(cc1C)Cl 62a_100000210202_100012361307 [0,2,0,0,0,0|2,0,0]=4 8362 B12R1.69 CCSCc1ccc(cc1C)Cl 62a_100012361307_100000210202 [0,2,0,0,0,0|2,0,0]=4 8363 B12R1.69 CCSCc1ccc(cc1C)F 62a_100000210202_100000700533 [0,2,0,0,0,0|2,0,0]=4 8364 B12R1.69 CCSCc1ccc(cc1C)F 62a_100000700533_100000210202 [0,2,0,0,0,0|2,0,0]=4 8365 B12R1.69 CCSCc1ccc(cc1Cl)Br 62a_100000210202_100011740631 [0,2,0,0,0,0|2,0,0]=4 8366 B12R1.69 CCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210202 [0,2,0,0,0,0|2,0,0]=4 8367 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100000210202_100012349684 [0,2,0,0,0,0|2,0,0]=4 8368 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100012349684_100000210202 [0,2,0,0,0,0|2,0,0]=4 8369 B12R1.69 CCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210202 [0,2,0,0,0,0|2,0,0]=4 8370 B12R1.69 CCSCc1ccc(cc1Cl)Cl 62a_100000210202_100000188473 [0,2,0,0,0,0|2,0,0]=4 8371 B12R1.69 CCSCc1ccc(cc1Cl)F 62a_100000187853_100000210202 [0,2,0,0,0,0|2,0,0]=4 8372 B12R1.69 CCSCc1ccc(cc1Cl)F 62a_100000210202_100000187853 [0,2,0,0,0,0|2,0,0]=4 8373 B12R1.69 CCSCc1ccc(cc1F)Br 62a_100000210202_100000211606 [0,2,0,0,0,0|2,0,0]=4 8374 B12R1.69 CCSCc1ccc(cc1F)Br 62a_100000211606_100000210202 [0,2,0,0,0,0|2,0,0]=4 8375 B12R1.69 CCSCc1ccc(cc1F)C 62a_100000210202_100011217900 [0,2,0,0,0,0|2,0,0]=4 8376 B12R1.69 CCSCc1ccc(cc1F)C 62a_100011217900_100000210202 [0,2,0,0,0,0|2,0,0]=4 8377 B12R1.69 CCSCc1ccc(cc1F)Cl 62a_100000210202_100000709361 [0,2,0,0,0,0|2,0,0]=4 8378 B12R1.69 CCSCc1ccc(cc1F)Cl 62a_100000709361_100000210202 [0,2,0,0,0,0|2,0,0]=4 8379 B12R1.69 CCSCc1ccc(cc1F)F 62a_100000210202_100000748237 [0,2,0,0,0,0|2,0,0]=4 8380 B12R1.69 CCSCc1ccc(cc1F)F 62a_100000748237_100000210202 [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.69 CCSCc1ccc(cc1F)I 62a_100000210202_100010244991 [0,2,0,0,0,0|2,0,0]=4 8382 B12R1.69 CCSCc1ccc(cc1F)I 62a_100010244991_100000210202 [0,2,0,0,0,0|2,0,0]=4 8383 B12R1.69 CCSCc1ccc(cc1I)Br 62a_100000210202_100010146615 [0,2,0,0,0,0|2,0,0]=4 8384 B12R1.69 CCSCc1ccc(cc1I)Br 62a_100010146615_100000210202 [0,2,0,0,0,0|2,0,0]=4 8385 B12R1.69 CCSCc1ccc(cc1I)Cl 62a_100000210202_100010254388 [0,2,0,0,0,0|2,0,0]=4 8386 B12R1.69 CCSCc1ccc(cc1I)Cl 62a_100010254388_100000210202 [0,2,0,0,0,0|2,0,0]=4 8387 B12R1.69 CCSCc1ccc(cc1I)F 62a_100000210202_100012354799 [0,2,0,0,0,0|2,0,0]=4 8388 B12R1.69 CCSCc1ccc(cc1I)F 62a_100012354799_100000210202 [0,2,0,0,0,0|2,0,0]=4 8389 B12R1.69 CNCCc1ccc(cc1Br)Cl 2230a_106832991635_200012945151 [0,2,0,0,0,0|2,0,0]=4 8390 B12R1.69 CNCCc1ccc(cc1Br)Cl 34a_100102657272_200012945151 [0,2,0,0,0,0|2,0,0]=4 8391 B12R1.69 CNCCc1ccc(cc1Br)Cl 7a_106832991635_200012945151 [0,2,0,0,0,0|2,0,0]=4 8392 B12R1.69 CNCCc1ccc(cc1C)C 2230a_100000745621_200000210301 [0,2,0,0,0,0|2,0,0]=4 8393 B12R1.69 CNCCc1ccc(cc1C)C 270004a_106832991635_100011754701 [0,2,0,0,0,0|2,0,0]=4 8394 B12R1.69 CNCCc1ccc(cc1C)C 34a_100000745621_200000210301 [0,2,0,0,0,0|2,0,0]=4 8395 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_100000210994_200000210301 [0,2,0,0,0,0|2,0,0]=4 8396 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_106832991635_200012161198 [0,2,0,0,0,0|2,0,0]=4 8397 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100000210994_200000210301 [0,2,0,0,0,0|2,0,0]=4 8398 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100102657272_200012161198 [0,2,0,0,0,0|2,0,0]=4 8399 B12R1.69 CNCCc1ccc(cc1Cl)Cl 7a_106832991635_200012161198 [0,2,0,0,0,0|2,0,0]=4 8400 B12R1.69 CNCCc1ccc(cc1F)Cl 2230a_103496529009_200000210301 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.69 CNCCc1ccc(cc1F)Cl 34a_103496529009_200000210301 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.69 CNCCc1ccc(cc1F)F 2230a_100000754870_200000210301 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.69 CNCCc1ccc(cc1F)F 34a_100000754870_200000210301 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.69 COCCc1ccc(cc1Br)Cl 34a_100138415774_200012945151 [0,2,0,0,0,0|2,0,0]=4 8405 B12R1.69 COCCc1ccc(cc1Cl)Br 34a_100013445822_200000210301 [0,2,0,0,0,0|2,0,0]=4 8406 B12R1.69 COCCc1ccc(cc1Cl)Br 7a_100013445822_200000210301 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100011215701_200000210301 [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100138415774_200012161198 [0,2,0,0,0,0|2,0,0]=4 8409 B12R1.69 COCCc1ccc(cc1Cl)Cl 7a_100011215701_200000210301 [0,2,0,0,0,0|2,0,0]=4 8410 B12R1.69 COCCc1ccc(cc1Cl)F 34a_100011962860_200000210301 [0,2,0,0,0,0|2,0,0]=4 8411 B12R1.69 COCCc1ccc(cc1Cl)F 7a_100011962860_200000210301 [0,2,0,0,0,0|2,0,0]=4 8412 B12R1.69 COCCc1ccc(cc1F)Br 34a_100011962869_200000210301 [0,2,0,0,0,0|2,0,0]=4 8413 B12R1.69 COCCc1ccc(cc1F)Br 7a_100011962869_200000210301 [0,2,0,0,0,0|2,0,0]=4 8414 B12R1.69 COCCc1ccc(cc1F)F 34a_100000697962_200000210301 [0,2,0,0,0,0|2,0,0]=4 8415 B12R1.69 COCCc1ccc(cc1F)F 7a_100000697962_200000210301 [0,2,0,0,0,0|2,0,0]=4 8416 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200000210301_200012945151 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200012945151_200000210301 [0,2,0,0,0,0|2,0,0]=4 8418 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200000210301_200012161198 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200012161198_200000210301 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.69 Cc1c[n+](ccc1SCCO)[O-] 62a_100000211926_100000074940 [0,2,0,0,0,0|2,0,0]=4 8421 B12R1.69 Cc1cc(=O)c(co1)OCCO 34a_100000081520_100000211926 [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.69 Cc1cc(c(cn1)OCCO)Br 34a_100009843476_100000211926 [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.69 Cc1cc(c(cn1)OCCO)Br 7a_100009843476_100000211926 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.69 Cc1cc(c(cn1)OCCO)C 34a_200000068632_100000211926 [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.69 Cc1cc(c(cn1)OCCO)C 7a_200000068632_100000211926 [0,2,0,0,0,0|2,0,0]=4 8426 B12R1.69 Cc1cc(c(cn1)SCCO)C 62a_100000211926_100009819613 [0,2,0,0,0,0|2,0,0]=4 8427 B12R1.69 Cc1cc(c(cn1)SCCO)C 62a_100009819613_100000211926 [0,2,0,0,0,0|2,0,0]=4 8428 B12R1.69 Cc1cc(c(cn1)SCCO)N 62a_100000211926_100009817891 [0,2,0,0,0,0|2,0,0]=4 8429 B12R1.69 Cc1cc(c(cn1)SCCO)N 62a_100009817891_100000211926 [0,2,0,0,0,0|2,0,0]=4 8430 B12R1.69 Cc1cc(c(cn1)SCCO)O 62a_100000211926_100011016184 [0,2,0,0,0,0|2,0,0]=4 8431 B12R1.69 Cc1cc(c(cn1)SCCO)O 62a_100011016184_100000211926 [0,2,0,0,0,0|2,0,0]=4 8432 B12R1.69 Cc1cc(ccc1CNCF)Br 34a_100000753881_100015361967 [0,2,0,0,0,0|2,0,0]=4 8433 B12R1.69 Cc1cc(ccc1CNCF)Cl 34a_103436540063_100015361967 [0,2,0,0,0,0|2,0,0]=4 8434 B12R1.69 Cc1cc(ccc1CNCF)F 34a_100137329023_100015361967 [0,2,0,0,0,0|2,0,0]=4 8435 B12R1.69 Cc1cc(ccc1COCF)Br 34a_100000748258_100015361967 [0,2,0,0,0,0|2,0,0]=4 8436 B12R1.69 Cc1cc(ccc1COCF)Br 7a_100000748258_100015361967 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.69 Cc1cc(ccc1COCF)Cl 34a_100000702939_100015361967 [0,2,0,0,0,0|2,0,0]=4 8438 B12R1.69 Cc1cc(ccc1COCF)Cl 7a_100000702939_100015361967 [0,2,0,0,0,0|2,0,0]=4 8439 B12R1.69 Cc1cc(ccc1COCF)F 34a_100000700136_100015361967 [0,2,0,0,0,0|2,0,0]=4 8440 B12R1.69 Cc1cc(ccc1COCF)F 7a_100000700136_100015361967 [0,2,0,0,0,0|2,0,0]=4 8441 B12R1.69 Cc1cc(ccc1COCF)N 34a_100000102464_100015361967 [0,2,0,0,0,0|2,0,0]=4 8442 B12R1.69 Cc1cc(ccc1COCF)N 7a_100000102464_100015361967 [0,2,0,0,0,0|2,0,0]=4 8443 B12R1.69 Cc1cc(ccc1CSCF)Br 62a_100000708836_100015361967 [0,2,0,0,0,0|2,0,0]=4 8444 B12R1.69 Cc1cc(ccc1CSCF)Br 62a_100015361967_100000708836 [0,2,0,0,0,0|2,0,0]=4 8445 B12R1.69 Cc1cc(ccc1CSCF)Cl 62a_100012361307_100015361967 [0,2,0,0,0,0|2,0,0]=4 8446 B12R1.69 Cc1cc(ccc1CSCF)Cl 62a_100015361967_100012361307 [0,2,0,0,0,0|2,0,0]=4 8447 B12R1.69 Cc1cc(ccc1CSCF)F 62a_100000700533_100015361967 [0,2,0,0,0,0|2,0,0]=4 8448 B12R1.69 Cc1cc(ccc1CSCF)F 62a_100015361967_100000700533 [0,2,0,0,0,0|2,0,0]=4 8449 B12R1.69 Cc1cc(ccc1NCCF)Br 34a_100000211769_100011217306 [0,2,0,0,0,0|2,0,0]=4 8450 B12R1.69 Cc1cc(ccc1NCCF)Br 7a_100000211769_100011217306 [0,2,0,0,0,0|2,0,0]=4 8451 B12R1.69 Cc1cc(ccc1NCCF)Cl 34a_100000210418_100011217306 [0,2,0,0,0,0|2,0,0]=4 8452 B12R1.69 Cc1cc(ccc1NCCF)Cl 7a_100000210418_100011217306 [0,2,0,0,0,0|2,0,0]=4 8453 B12R1.69 Cc1cc(ccc1NCCF)F 34a_100000211637_100011217306 [0,2,0,0,0,0|2,0,0]=4 8454 B12R1.69 Cc1cc(ccc1NCCF)F 7a_100000211637_100011217306 [0,2,0,0,0,0|2,0,0]=4 8455 B12R1.69 Cc1cc(ccc1NCCF)I 34a_100000184554_100011217306 [0,2,0,0,0,0|2,0,0]=4 8456 B12R1.69 Cc1cc(ccc1NCCF)I 7a_100000184554_100011217306 [0,2,0,0,0,0|2,0,0]=4 8457 B12R1.69 Cc1cc(ccc1NCCF)O 34a_100000756630_100011217306 [0,2,0,0,0,0|2,0,0]=4 8458 B12R1.69 Cc1cc(ccc1NCCO)Br 34a_100000211769_100000211926 [0,2,0,0,0,0|1,0,0]=3 8459 B12R1.69 Cc1cc(ccc1NCCO)Br 7a_100000211769_100000211926 [0,2,0,0,0,0|1,0,0]=3 8460 B12R1.69 Cc1cc(ccc1NCCO)Cl 34a_100000210418_100000211926 [0,2,0,0,0,0|1,0,0]=3 8461 B12R1.69 Cc1cc(ccc1NCCO)Cl 7a_100000210418_100000211926 [0,2,0,0,0,0|1,0,0]=3 8462 B12R1.69 Cc1cc(ccc1NCCO)F 34a_100000211637_100000211926 [0,2,0,0,0,0|1,0,0]=3 8463 B12R1.69 Cc1cc(ccc1NCCO)F 7a_100000211637_100000211926 [0,2,0,0,0,0|1,0,0]=3 8464 B12R1.69 Cc1cc(ccc1NCCO)I 34a_100000184554_100000211926 [0,2,0,0,0,0|1,0,0]=3 8465 B12R1.69 Cc1cc(ccc1NCCO)I 7a_100000184554_100000211926 [0,2,0,0,0,0|1,0,0]=3 8466 B12R1.69 Cc1cc(ccc1NCCO)O 34a_100000756630_100000211926 [0,2,0,0,0,0|1,0,0]=3 8467 B12R1.69 Cc1cc(ccc1OCCF)Br 34a_100000186361_100011217306 [0,2,0,0,0,0|2,0,0]=4 8468 B12R1.69 Cc1cc(ccc1OCCF)Br 7a_100000186361_100011217306 [0,2,0,0,0,0|2,0,0]=4 8469 B12R1.69 Cc1cc(ccc1OCCF)Cl 34a_100000211091_100011217306 [0,2,0,0,0,0|2,0,0]=4 8470 B12R1.69 Cc1cc(ccc1OCCF)Cl 7a_100000211091_100011217306 [0,2,0,0,0,0|2,0,0]=4 8471 B12R1.69 Cc1cc(ccc1OCCF)F 34a_100000764316_100011217306 [0,2,0,0,0,0|2,0,0]=4 8472 B12R1.69 Cc1cc(ccc1OCCF)F 7a_100000764316_100011217306 [0,2,0,0,0,0|2,0,0]=4 8473 B12R1.69 Cc1cc(ccc1OCCF)I 34a_100011218673_100011217306 [0,2,0,0,0,0|2,0,0]=4 8474 B12R1.69 Cc1cc(ccc1OCCF)I 7a_100011218673_100011217306 [0,2,0,0,0,0|2,0,0]=4 8475 B12R1.69 Cc1cc(ccc1OCCF)N 34a_100011218179_100011217306 [0,2,0,0,0,0|2,0,0]=4 8476 B12R1.69 Cc1cc(ccc1OCCF)N 7a_100011218179_100011217306 [0,2,0,0,0,0|2,0,0]=4 8477 B12R1.69 Cc1cc(ccc1OCCO)Br 34a_100000186361_100000211926 [0,2,0,0,0,0|1,0,0]=3 8478 B12R1.69 Cc1cc(ccc1OCCO)Br 7a_100000186361_100000211926 [0,2,0,0,0,0|1,0,0]=3 8479 B12R1.69 Cc1cc(ccc1OCCO)Cl 34a_100000211091_100000211926 [0,2,0,0,0,0|1,0,0]=3 8480 B12R1.69 Cc1cc(ccc1OCCO)Cl 7a_100000211091_100000211926 [0,2,0,0,0,0|1,0,0]=3 8481 B12R1.69 Cc1cc(ccc1OCCO)F 34a_100000764316_100000211926 [0,2,0,0,0,0|1,0,0]=3 8482 B12R1.69 Cc1cc(ccc1OCCO)F 7a_100000764316_100000211926 [0,2,0,0,0,0|1,0,0]=3 8483 B12R1.69 Cc1cc(ccc1OCCO)I 34a_100011218673_100000211926 [0,2,0,0,0,0|1,0,0]=3 8484 B12R1.69 Cc1cc(ccc1OCCO)I 7a_100011218673_100000211926 [0,2,0,0,0,0|1,0,0]=3 8485 B12R1.69 Cc1cc(ccc1OCCO)N 34a_100011218179_100000211926 [0,2,0,0,0,0|1,0,0]=3 8486 B12R1.69 Cc1cc(ccc1OCCO)N 7a_100011218179_100000211926 [0,2,0,0,0,0|1,0,0]=3 8487 B12R1.69 Cc1cc(ccc1SCCF)Br 62a_100000701812_100011217306 [0,2,0,0,0,0|2,0,0]=4 8488 B12R1.69 Cc1cc(ccc1SCCF)Br 62a_100011217306_100000701812 [0,2,0,0,0,0|2,0,0]=4 8489 B12R1.69 Cc1cc(ccc1SCCF)Cl 62a_100011217306_100011219607 [0,2,0,0,0,0|2,0,0]=4 8490 B12R1.69 Cc1cc(ccc1SCCF)Cl 62a_100011219607_100011217306 [0,2,0,0,0,0|2,0,0]=4 8491 B12R1.69 Cc1cc(ccc1SCCF)F 62a_100011205405_100011217306 [0,2,0,0,0,0|2,0,0]=4 8492 B12R1.69 Cc1cc(ccc1SCCF)F 62a_100011217306_100011205405 [0,2,0,0,0,0|2,0,0]=4 8493 B12R1.69 Cc1cc(ccc1SCCF)N 62a_100000210723_100011217306 [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.69 Cc1cc(ccc1SCCF)N 62a_100011217306_100000210723 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.69 Cc1cc(ccc1SCCF)O 62a_100011217306_100000690111 [0,2,0,0,0,0|2,0,0]=4 8496 B12R1.69 Cc1cc(ccc1SCCO)Br 62a_100000211926_100000701812 [0,2,0,0,0,0|1,0,0]=3 8497 B12R1.69 Cc1cc(ccc1SCCO)Br 62a_100000701812_100000211926 [0,2,0,0,0,0|1,0,0]=3 8498 B12R1.69 Cc1cc(ccc1SCCO)Cl 62a_100000211926_100011219607 [0,2,0,0,0,0|1,0,0]=3 8499 B12R1.69 Cc1cc(ccc1SCCO)Cl 62a_100011219607_100000211926 [0,2,0,0,0,0|1,0,0]=3 8500 B12R1.69 Cc1cc(ccc1SCCO)F 62a_100000211926_100011205405 [0,2,0,0,0,0|1,0,0]=3 8501 B12R1.69 Cc1cc(ccc1SCCO)F 62a_100011205405_100000211926 [0,2,0,0,0,0|1,0,0]=3 8502 B12R1.69 Cc1cc(ccc1SCCO)N 62a_100000210723_100000211926 [0,2,0,0,0,0|1,0,0]=3 8503 B12R1.69 Cc1cc(ccc1SCCO)N 62a_100000211926_100000210723 [0,2,0,0,0,0|1,0,0]=3 8504 B12R1.69 Cc1cc(ccc1SCCO)O 62a_100000211926_100000690111 [0,2,0,0,0,0|1,0,0]=3 8505 B12R1.69 Cc1cc(cnc1OCCO)Br 34a_100000685391_100000211926 [0,2,0,0,0,0|2,0,0]=4 8506 B12R1.69 Cc1cc(cnc1SCCO)Br 62a_100000211926_100012353652 [0,2,0,0,0,0|2,0,0]=4 8507 B12R1.69 Cc1cc(cnc1SCCO)Br 62a_100012353652_100000211926 [0,2,0,0,0,0|2,0,0]=4 8508 B12R1.69 Cc1cc(cnc1SCCO)F 62a_100000211926_100009817009 [0,2,0,0,0,0|2,0,0]=4 8509 B12R1.69 Cc1cc(cnc1SCCO)F 62a_100009817009_100000211926 [0,2,0,0,0,0|2,0,0]=4 8510 B12R1.69 Cc1cc(cnc1SCCO)N 62a_100000211926_100000761747 [0,2,0,0,0,0|2,0,0]=4 8511 B12R1.69 Cc1cc(cnc1SCCO)N 62a_100000761747_100000211926 [0,2,0,0,0,0|2,0,0]=4 8512 B12R1.69 Cc1cc(cnc1SCCO)O 62a_100000211926_100012000486 [0,2,0,0,0,0|2,0,0]=4 8513 B12R1.69 Cc1cc(cnc1SCCO)O 62a_100012000486_100000211926 [0,2,0,0,0,0|2,0,0]=4 8514 B12R1.69 Cc1cc(ncc1OCCO)Cl 34a_100000692680_100000211926 [0,2,0,0,0,0|2,0,0]=4 8515 B12R1.69 Cc1cc(ncc1OCCO)Cl 7a_100000692680_100000211926 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.69 Cc1cc(ncc1OCCO)F 34a_100009856773_100000211926 [0,2,0,0,0,0|2,0,0]=4 8517 B12R1.69 Cc1cc(ncc1OCCO)F 7a_100009856773_100000211926 [0,2,0,0,0,0|2,0,0]=4 8518 B12R1.69 Cc1cc(ncc1SCCO)Br 62a_100000211926_100009816104 [0,2,0,0,0,0|2,0,0]=4 8519 B12R1.69 Cc1cc(ncc1SCCO)Br 62a_100009816104_100000211926 [0,2,0,0,0,0|2,0,0]=4 8520 B12R1.69 Cc1cc(ncc1SCCO)Cl 62a_100000211926_100010172789 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.69 Cc1cc(ncc1SCCO)Cl 62a_100010172789_100000211926 [0,2,0,0,0,0|2,0,0]=4 8522 B12R1.69 Cc1cc(ncc1SCCO)F 62a_100000211926_100009820716 [0,2,0,0,0,0|2,0,0]=4 8523 B12R1.69 Cc1cc(ncc1SCCO)F 62a_100009820716_100000211926 [0,2,0,0,0,0|2,0,0]=4 8524 B12R1.69 Cc1cc(ncc1SCCO)N 62a_100000050067_100000211926 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.69 Cc1cc(ncc1SCCO)N 62a_100000211926_100000050067 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.69 Cc1cc(ncc1SCCO)O 62a_100000211926_100000766222 [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.69 Cc1cc(ncc1SCCO)O 62a_100000766222_100000211926 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.69 Cc1ccc([n+](c1)[O-])SCCO 62a_100000211926_100009819918 [0,2,0,0,0,0|2,0,0]=4 8529 B12R1.69 Cc1ccc(c(c1)Br)NCCF 34a_100000210942_100011217306 [0,2,0,0,0,0|2,0,0]=4 8530 B12R1.69 Cc1ccc(c(c1)Br)NCCO 34a_100000210942_100000211926 [0,2,0,0,0,0|1,0,0]=3 8531 B12R1.69 Cc1ccc(c(c1)Br)OCCF 34a_100000210800_100011217306 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.69 Cc1ccc(c(c1)Br)OCCF 7a_100000210800_100011217306 [0,2,0,0,0,0|2,0,0]=4 8533 B12R1.69 Cc1ccc(c(c1)Br)OCCO 34a_100000210800_100000211926 [0,2,0,0,0,0|1,0,0]=3 8534 B12R1.69 Cc1ccc(c(c1)Br)OCCO 7a_100000210800_100000211926 [0,2,0,0,0,0|1,0,0]=3 8535 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100009813563_100011217306 [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100011217306_100009813563 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100000211926_100009813563 [0,2,0,0,0,0|1,0,0]=3 8538 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100009813563_100000211926 [0,2,0,0,0,0|1,0,0]=3 8539 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 2230a_100000745621_200025704644 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 34a_100000745621_200025704644 [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.69 Cc1ccc(c(c1)C)CNCF 34a_100000737523_100015361967 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.69 Cc1ccc(c(c1)C)COCF 34a_100011215341_100015361967 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.69 Cc1ccc(c(c1)C)COCF 7a_100011215341_100015361967 [0,2,0,0,0,0|2,0,0]=4 8544 B12R1.69 Cc1ccc(c(c1)C)CSCF 62a_100011219618_100015361967 [0,2,0,0,0,0|2,0,0]=4 8545 B12R1.69 Cc1ccc(c(c1)C)CSCF 62a_100015361967_100011219618 [0,2,0,0,0,0|2,0,0]=4 8546 B12R1.69 Cc1ccc(c(c1)C)NCCF 34a_100000736561_100011217306 [0,2,0,0,0,0|2,0,0]=4 8547 B12R1.69 Cc1ccc(c(c1)C)NCCF 7a_100000736561_100011217306 [0,2,0,0,0,0|2,0,0]=4 8548 B12R1.69 Cc1ccc(c(c1)C)NCCO 34a_100000736561_100000211926 [0,2,0,0,0,0|1,0,0]=3 8549 B12R1.69 Cc1ccc(c(c1)C)NCCO 7a_100000736561_100000211926 [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.69 Cc1ccc(c(c1)C)OCCF 34a_100000211776_100011217306 [0,2,0,0,0,0|2,0,0]=4 8551 B12R1.69 Cc1ccc(c(c1)C)OCCF 7a_100000211776_100011217306 [0,2,0,0,0,0|2,0,0]=4 8552 B12R1.69 Cc1ccc(c(c1)C)OCCO 34a_100000211776_100000211926 [0,2,0,0,0,0|1,0,0]=3 8553 B12R1.69 Cc1ccc(c(c1)C)OCCO 7a_100000211776_100000211926 [0,2,0,0,0,0|1,0,0]=3 8554 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217306_100011217332 [0,2,0,0,0,0|2,0,0]=4 8555 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217332_100011217306 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100000211926_100011217332 [0,2,0,0,0,0|1,0,0]=3 8557 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100011217332_100000211926 [0,2,0,0,0,0|1,0,0]=3 8558 B12R1.69 Cc1ccc(c(c1)Cl)CNCF 34a_100011997539_100015361967 [0,2,0,0,0,0|2,0,0]=4 8559 B12R1.69 Cc1ccc(c(c1)Cl)COCF 34a_100000720314_100015361967 [0,2,0,0,0,0|2,0,0]=4 8560 B12R1.69 Cc1ccc(c(c1)Cl)COCF 7a_100000720314_100015361967 [0,2,0,0,0,0|2,0,0]=4 8561 B12R1.69 Cc1ccc(c(c1)Cl)CSCF 62a_100012349684_100015361967 [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.69 Cc1ccc(c(c1)Cl)CSCF 62a_100015361967_100012349684 [0,2,0,0,0,0|2,0,0]=4 8563 B12R1.69 Cc1ccc(c(c1)Cl)NCCF 34a_100000210522_100011217306 [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.69 Cc1ccc(c(c1)Cl)NCCO 34a_100000210522_100000211926 [0,2,0,0,0,0|1,0,0]=3 8565 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 34a_100000749699_100011217306 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 7a_100000749699_100011217306 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 34a_100000749699_100000211926 [0,2,0,0,0,0|1,0,0]=3 8568 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 7a_100000749699_100000211926 [0,2,0,0,0,0|1,0,0]=3 8569 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011217306_100011263221 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011263221_100011217306 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100000211926_100011263221 [0,2,0,0,0,0|1,0,0]=3 8572 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100011263221_100000211926 [0,2,0,0,0,0|1,0,0]=3 8573 B12R1.69 Cc1ccc(c(c1)F)CNCF 34a_100102887089_100015361967 [0,2,0,0,0,0|2,0,0]=4 8574 B12R1.69 Cc1ccc(c(c1)F)COCF 34a_100011216587_100015361967 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.69 Cc1ccc(c(c1)F)COCF 7a_100011216587_100015361967 [0,2,0,0,0,0|2,0,0]=4 8576 B12R1.69 Cc1ccc(c(c1)F)CSCF 62a_100011217900_100015361967 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.69 Cc1ccc(c(c1)F)CSCF 62a_100015361967_100011217900 [0,2,0,0,0,0|2,0,0]=4 8578 B12R1.69 Cc1ccc(c(c1)F)NCCF 34a_100000211023_100011217306 [0,2,0,0,0,0|2,0,0]=4 8579 B12R1.69 Cc1ccc(c(c1)F)NCCO 34a_100000211023_100000211926 [0,2,0,0,0,0|1,0,0]=3 8580 B12R1.69 Cc1ccc(c(c1)F)OCCF 34a_100011216688_100011217306 [0,2,0,0,0,0|2,0,0]=4 8581 B12R1.69 Cc1ccc(c(c1)F)OCCF 7a_100011216688_100011217306 [0,2,0,0,0,0|2,0,0]=4 8582 B12R1.69 Cc1ccc(c(c1)F)OCCO 34a_100011216688_100000211926 [0,2,0,0,0,0|1,0,0]=3 8583 B12R1.69 Cc1ccc(c(c1)F)OCCO 7a_100011216688_100000211926 [0,2,0,0,0,0|1,0,0]=3 8584 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011216119_100011217306 [0,2,0,0,0,0|2,0,0]=4 8585 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011217306_100011216119 [0,2,0,0,0,0|2,0,0]=4 8586 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100000211926_100011216119 [0,2,0,0,0,0|1,0,0]=3 8587 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100011216119_100000211926 [0,2,0,0,0,0|1,0,0]=3 8588 B12R1.69 Cc1ccc(c(c1)I)NCCF 34a_100011356834_100011217306 [0,2,0,0,0,0|2,0,0]=4 8589 B12R1.69 Cc1ccc(c(c1)I)NCCO 34a_100011356834_100000211926 [0,2,0,0,0,0|1,0,0]=3 8590 B12R1.69 Cc1ccc(c(c1)I)OCCF 34a_100000765521_100011217306 [0,2,0,0,0,0|2,0,0]=4 8591 B12R1.69 Cc1ccc(c(c1)I)OCCF 7a_100000765521_100011217306 [0,2,0,0,0,0|2,0,0]=4 8592 B12R1.69 Cc1ccc(c(c1)I)OCCO 34a_100000765521_100000211926 [0,2,0,0,0,0|1,0,0]=3 8593 B12R1.69 Cc1ccc(c(c1)I)OCCO 7a_100000765521_100000211926 [0,2,0,0,0,0|1,0,0]=3 8594 B12R1.69 Cc1ccc(c(c1)N)COCF 34a_100000087799_100015361967 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.69 Cc1ccc(c(c1)N)COCF 7a_100000087799_100015361967 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.69 Cc1ccc(c(c1)N)OCCF 34a_100011215204_100011217306 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.69 Cc1ccc(c(c1)N)OCCF 7a_100011215204_100011217306 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.69 Cc1ccc(c(c1)N)OCCO 34a_100011215204_100000211926 [0,2,0,0,0,0|1,0,0]=3 8599 B12R1.69 Cc1ccc(c(c1)N)OCCO 7a_100011215204_100000211926 [0,2,0,0,0,0|1,0,0]=3 8600 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011216686_100011217306 [0,2,0,0,0,0|2,0,0]=4 8601 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011217306_100011216686 [0,2,0,0,0,0|2,0,0]=4 8602 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100000211926_100011216686 [0,2,0,0,0,0|1,0,0]=3 8603 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100011216686_100000211926 [0,2,0,0,0,0|1,0,0]=3 8604 B12R1.69 Cc1ccc(c(c1)O)NCCF 34a_100000211527_100011217306 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.69 Cc1ccc(c(c1)O)NCCO 34a_100000211527_100000211926 [0,2,0,0,0,0|1,0,0]=3 8606 B12R1.69 Cc1ccc(c(c1)O)OCCN 271570a_203496583355_100025744979 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100011217306_100012002257 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100012002257_100011217306 [0,2,0,0,0,0|2,0,0]=4 8609 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100000211926_100012002257 [0,2,0,0,0,0|1,0,0]=3 8610 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100012002257_100000211926 [0,2,0,0,0,0|1,0,0]=3 8611 B12R1.69 Cc1ccc(c(n1)Br)OCCO 34a_100000702858_100000211926 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.69 Cc1ccc(c(n1)Br)OCCO 7a_100000702858_100000211926 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.69 Cc1ccc(c(n1)C)OCCO 34a_100011218912_100000211926 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.69 Cc1ccc(c(n1)C)OCCO 7a_100011218912_100000211926 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.69 Cc1ccc(c(n1)C)SCCO 62a_100000211926_100009813853 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.69 Cc1ccc(c(n1)C)SCCO 62a_100009813853_100000211926 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.69 Cc1ccc(c(n1)Cl)OCCO 34a_100000086286_100000211926 [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.69 Cc1ccc(c(n1)Cl)OCCO 7a_100000086286_100000211926 [0,2,0,0,0,0|2,0,0]=4 8619 B12R1.69 Cc1ccc(c(n1)F)OCCO 34a_100000079963_100000211926 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.69 Cc1ccc(c(n1)F)OCCO 7a_100000079963_100000211926 [0,2,0,0,0,0|2,0,0]=4 8621 B12R1.69 Cc1ccc(c(n1)F)SCCO 62a_100000211926_100010006597 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.69 Cc1ccc(c(n1)F)SCCO 62a_100010006597_100000211926 [0,2,0,0,0,0|2,0,0]=4 8623 B12R1.69 Cc1ccc(c(n1)I)OCCO 34a_100000023897_100000211926 [0,2,0,0,0,0|2,0,0]=4 8624 B12R1.69 Cc1ccc(c(n1)I)OCCO 7a_100000023897_100000211926 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.69 Cc1ccc(c(n1)N)OCCO 34a_100000694039_100000211926 [0,2,0,0,0,0|2,0,0]=4 8626 B12R1.69 Cc1ccc(c(n1)N)OCCO 7a_100000694039_100000211926 [0,2,0,0,0,0|2,0,0]=4 8627 B12R1.69 Cc1ccc(c(n1)N)SCCO 62a_100000211926_100009816662 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.69 Cc1ccc(c(n1)N)SCCO 62a_100009816662_100000211926 [0,2,0,0,0,0|2,0,0]=4 8629 B12R1.69 Cc1ccc(c(n1)O)SCCO 62a_100000211926_100009817604 [0,2,0,0,0,0|2,0,0]=4 8630 B12R1.69 Cc1ccc(c(n1)O)SCCO 62a_100009817604_100000211926 [0,2,0,0,0,0|2,0,0]=4 8631 B12R1.69 Cc1cnc(c(c1)Br)OCCO 34a_100000719714_100000211926 [0,2,0,0,0,0|2,0,0]=4 8632 B12R1.69 Cc1cnc(c(c1)C)SCCO 62a_100000211926_100009864548 [0,2,0,0,0,0|2,0,0]=4 8633 B12R1.69 Cc1cnc(c(c1)C)SCCO 62a_100009864548_100000211926 [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.69 Cc1cnc(c(c1)F)SCCO 62a_100000211926_100009819633 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.69 Cc1cnc(c(c1)F)SCCO 62a_100009819633_100000211926 [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.69 Cc1cnc(c(c1)N)OCCO 34a_100012000488_100000211926 [0,2,0,0,0,0|2,0,0]=4 8637 B12R1.69 Cc1cnc(c(c1)N)SCCO 62a_100000211926_100000733613 [0,2,0,0,0,0|2,0,0]=4 8638 B12R1.69 Cc1cnc(c(c1)N)SCCO 62a_100000733613_100000211926 [0,2,0,0,0,0|2,0,0]=4 8639 B12R1.69 Cc1cnc(c(c1)O)SCCO 62a_100000211926_100012000487 [0,2,0,0,0,0|2,0,0]=4 8640 B12R1.69 Cc1nc(ccc1OCCO)Br 34a_100012002022_100000211926 [0,2,0,0,0,0|2,0,0]=4 8641 B12R1.69 Cc1nc(ccc1OCCO)Br 7a_100012002022_100000211926 [0,2,0,0,0,0|2,0,0]=4 8642 B12R1.69 Cc1nc(ccc1OCCO)Cl 34a_100012184626_100000211926 [0,2,0,0,0,0|2,0,0]=4 8643 B12R1.69 Cc1nc(ccc1OCCO)Cl 7a_100012184626_100000211926 [0,2,0,0,0,0|2,0,0]=4 8644 B12R1.69 Cc1nc(ccc1OCCO)F 34a_100009881036_100000211926 [0,2,0,0,0,0|2,0,0]=4 8645 B12R1.69 Cc1nc(ccc1OCCO)F 7a_100009881036_100000211926 [0,2,0,0,0,0|2,0,0]=4 8646 B12R1.69 Cc1nc(ccc1OCCO)I 34a_100010233687_100000211926 [0,2,0,0,0,0|2,0,0]=4 8647 B12R1.69 Cc1nc(ccc1OCCO)I 7a_100010233687_100000211926 [0,2,0,0,0,0|2,0,0]=4 8648 B12R1.69 Cc1nc(ccc1SCCO)Cl 62a_100000062408_100000211926 [0,2,0,0,0,0|2,0,0]=4 8649 B12R1.69 Cc1nc(ccc1SCCO)Cl 62a_100000211926_100000062408 [0,2,0,0,0,0|2,0,0]=4 8650 B12R1.69 Cc1nc(ccc1SCCO)F 62a_100000211926_100000688911 [0,2,0,0,0,0|2,0,0]=4 8651 B12R1.69 Cc1nc(ccc1SCCO)F 62a_100000688911_100000211926 [0,2,0,0,0,0|2,0,0]=4 8652 B12R1.69 Cc1nc(ccc1SCCO)N 62a_100000187202_100000211926 [0,2,0,0,0,0|2,0,0]=4 8653 B12R1.69 Cc1nc(ccc1SCCO)N 62a_100000211926_100000187202 [0,2,0,0,0,0|2,0,0]=4 8654 B12R1.69 Cc1nc(ccc1SCCO)O 62a_100000211926_100000691680 [0,2,0,0,0,0|2,0,0]=4 8655 B12R1.69 Cc1nc(ccc1SCCO)O 62a_100000691680_100000211926 [0,2,0,0,0,0|2,0,0]=4 8656 B12R1.69 FCCNc1ccc(cc1Br)Br 34a_100000211012_100011217306 [0,2,0,0,0,0|2,0,0]=4 8657 B12R1.69 FCCNc1ccc(cc1Br)Cl 34a_100000752454_100011217306 [0,2,0,0,0,0|2,0,0]=4 8658 B12R1.69 FCCNc1ccc(cc1Br)F 34a_100000738039_100011217306 [0,2,0,0,0,0|2,0,0]=4 8659 B12R1.69 FCCNc1ccc(cc1Cl)Br 34a_100000211467_100011217306 [0,2,0,0,0,0|2,0,0]=4 8660 B12R1.69 FCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011217306 [0,2,0,0,0,0|2,0,0]=4 8661 B12R1.69 FCCNc1ccc(cc1Cl)F 34a_100000212003_100011217306 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.69 FCCNc1ccc(cc1Cl)I 34a_100011218065_100011217306 [0,2,0,0,0,0|2,0,0]=4 8663 B12R1.69 FCCNc1ccc(cc1F)Br 34a_100000210722_100011217306 [0,2,0,0,0,0|2,0,0]=4 8664 B12R1.69 FCCNc1ccc(cc1F)Cl 34a_100000211020_100011217306 [0,2,0,0,0,0|2,0,0]=4 8665 B12R1.69 FCCNc1ccc(cc1F)F 34a_100000210720_100011217306 [0,2,0,0,0,0|2,0,0]=4 8666 B12R1.69 FCCNc1ccc(cc1F)I 34a_100011215594_100011217306 [0,2,0,0,0,0|2,0,0]=4 8667 B12R1.69 FCCNc1ccc(cc1I)Br 34a_100000187925_100011217306 [0,2,0,0,0,0|2,0,0]=4 8668 B12R1.69 FCCNc1ccc(cc1I)Cl 34a_100000761889_100011217306 [0,2,0,0,0,0|2,0,0]=4 8669 B12R1.69 FCCNc1ccc(cc1I)F 34a_100000760547_100011217306 [0,2,0,0,0,0|2,0,0]=4 8670 B12R1.69 FCCOc1ccc(cc1Br)Br 34a_100000188717_100011217306 [0,2,0,0,0,0|2,0,0]=4 8671 B12R1.69 FCCOc1ccc(cc1Br)Br 7a_100000188717_100011217306 [0,2,0,0,0,0|2,0,0]=4 8672 B12R1.69 FCCOc1ccc(cc1Br)Cl 34a_100000211998_100011217306 [0,2,0,0,0,0|2,0,0]=4 8673 B12R1.69 FCCOc1ccc(cc1Br)Cl 7a_100000211998_100011217306 [0,2,0,0,0,0|2,0,0]=4 8674 B12R1.69 FCCOc1ccc(cc1Br)F 34a_100000211999_100011217306 [0,2,0,0,0,0|2,0,0]=4 8675 B12R1.69 FCCOc1ccc(cc1Br)F 7a_100000211999_100011217306 [0,2,0,0,0,0|2,0,0]=4 8676 B12R1.69 FCCOc1ccc(cc1Br)I 34a_100012361655_100011217306 [0,2,0,0,0,0|2,0,0]=4 8677 B12R1.69 FCCOc1ccc(cc1Br)I 7a_100012361655_100011217306 [0,2,0,0,0,0|2,0,0]=4 8678 B12R1.69 FCCOc1ccc(cc1Cl)Br 34a_100000186472_100011217306 [0,2,0,0,0,0|2,0,0]=4 8679 B12R1.69 FCCOc1ccc(cc1Cl)Br 7a_100000186472_100011217306 [0,2,0,0,0,0|2,0,0]=4 8680 B12R1.69 FCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011217306 [0,2,0,0,0,0|2,0,0]=4 8681 B12R1.69 FCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011217306 [0,2,0,0,0,0|2,0,0]=4 8682 B12R1.69 FCCOc1ccc(cc1Cl)F 34a_100000212004_100011217306 [0,2,0,0,0,0|2,0,0]=4 8683 B12R1.69 FCCOc1ccc(cc1Cl)F 7a_100000212004_100011217306 [0,2,0,0,0,0|2,0,0]=4 8684 B12R1.69 FCCOc1ccc(cc1Cl)I 34a_100012360047_100011217306 [0,2,0,0,0,0|2,0,0]=4 8685 B12R1.69 FCCOc1ccc(cc1Cl)I 7a_100012360047_100011217306 [0,2,0,0,0,0|2,0,0]=4 8686 B12R1.69 FCCOc1ccc(cc1F)Br 34a_100000185481_100011217306 [0,2,0,0,0,0|2,0,0]=4 8687 B12R1.69 FCCOc1ccc(cc1F)Br 7a_100000185481_100011217306 [0,2,0,0,0,0|2,0,0]=4 8688 B12R1.69 FCCOc1ccc(cc1F)Cl 34a_100000230166_100011217306 [0,2,0,0,0,0|2,0,0]=4 8689 B12R1.69 FCCOc1ccc(cc1F)Cl 7a_100000230166_100011217306 [0,2,0,0,0,0|2,0,0]=4 8690 B12R1.69 FCCOc1ccc(cc1F)F 34a_100000230127_100011217306 [0,2,0,0,0,0|2,0,0]=4 8691 B12R1.69 FCCOc1ccc(cc1F)F 7a_100000230127_100011217306 [0,2,0,0,0,0|2,0,0]=4 8692 B12R1.69 FCCOc1ccc(cc1F)I 34a_100011356965_100011217306 [0,2,0,0,0,0|2,0,0]=4 8693 B12R1.69 FCCOc1ccc(cc1F)I 7a_100011356965_100011217306 [0,2,0,0,0,0|2,0,0]=4 8694 B12R1.69 FCCOc1ccc(cc1I)Br 34a_100012355227_100011217306 [0,2,0,0,0,0|2,0,0]=4 8695 B12R1.69 FCCOc1ccc(cc1I)Br 7a_100012355227_100011217306 [0,2,0,0,0,0|2,0,0]=4 8696 B12R1.69 FCCOc1ccc(cc1I)Cl 34a_100011356953_100011217306 [0,2,0,0,0,0|2,0,0]=4 8697 B12R1.69 FCCOc1ccc(cc1I)Cl 7a_100011356953_100011217306 [0,2,0,0,0,0|2,0,0]=4 8698 B12R1.69 FCCOc1ccc(cc1I)F 34a_100012355409_100011217306 [0,2,0,0,0,0|2,0,0]=4 8699 B12R1.69 FCCOc1ccc(cc1I)F 7a_100012355409_100011217306 [0,2,0,0,0,0|2,0,0]=4 8700 B12R1.69 FCCOc1ccc(cc1I)I 7a_100010001573_100011217306 [0,2,0,0,0,0|2,0,0]=4 8701 B12R1.69 FCCSc1ccc(cc1Br)Br 62a_100011217306_100011484698 [0,2,0,0,0,0|2,0,0]=4 8702 B12R1.69 FCCSc1ccc(cc1Br)Br 62a_100011484698_100011217306 [0,2,0,0,0,0|2,0,0]=4 8703 B12R1.69 FCCSc1ccc(cc1Br)Cl 62a_100011217306_100011219703 [0,2,0,0,0,0|2,0,0]=4 8704 B12R1.69 FCCSc1ccc(cc1Br)Cl 62a_100011219703_100011217306 [0,2,0,0,0,0|2,0,0]=4 8705 B12R1.69 FCCSc1ccc(cc1Br)F 62a_100011217111_100011217306 [0,2,0,0,0,0|2,0,0]=4 8706 B12R1.69 FCCSc1ccc(cc1Br)F 62a_100011217306_100011217111 [0,2,0,0,0,0|2,0,0]=4 8707 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011216062_100011217306 [0,2,0,0,0,0|2,0,0]=4 8708 B12R1.69 FCCSc1ccc(cc1Cl)Br 62a_100011217306_100011216062 [0,2,0,0,0,0|2,0,0]=4 8709 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011217306 [0,2,0,0,0,0|2,0,0]=4 8710 B12R1.69 FCCSc1ccc(cc1Cl)Cl 62a_100011217306_100000699841 [0,2,0,0,0,0|2,0,0]=4 8711 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100000733362_100011217306 [0,2,0,0,0,0|2,0,0]=4 8712 B12R1.69 FCCSc1ccc(cc1Cl)F 62a_100011217306_100000733362 [0,2,0,0,0,0|2,0,0]=4 8713 B12R1.69 FCCSc1ccc(cc1F)Br 62a_100009814013_100011217306 [0,2,0,0,0,0|2,0,0]=4 8714 B12R1.69 FCCSc1ccc(cc1F)Br 62a_100011217306_100009814013 [0,2,0,0,0,0|2,0,0]=4 8715 B12R1.69 FCCSc1ccc(cc1F)Cl 62a_100011216042_100011217306 [0,2,0,0,0,0|2,0,0]=4 8716 B12R1.69 FCCSc1ccc(cc1F)Cl 62a_100011217306_100011216042 [0,2,0,0,0,0|2,0,0]=4 8717 B12R1.69 FCCSc1ccc(cc1F)F 62a_100000750030_100011217306 [0,2,0,0,0,0|2,0,0]=4 8718 B12R1.69 FCCSc1ccc(cc1F)F 62a_100011217306_100000750030 [0,2,0,0,0,0|2,0,0]=4 8719 B12R1.69 FCNCc1ccc(cc1Br)Cl 34a_100102692131_100015361967 [0,2,0,0,0,0|2,0,0]=4 8720 B12R1.69 FCNCc1ccc(cc1Br)F 34a_100000708791_100015361967 [0,2,0,0,0,0|2,0,0]=4 8721 B12R1.69 FCNCc1ccc(cc1Cl)Br 34a_100020628970_100015361967 [0,2,0,0,0,0|2,0,0]=4 8722 B12R1.69 FCNCc1ccc(cc1Cl)Cl 34a_100000174880_100015361967 [0,2,0,0,0,0|2,0,0]=4 8723 B12R1.69 FCNCc1ccc(cc1Cl)F 34a_100000174946_100015361967 [0,2,0,0,0,0|2,0,0]=4 8724 B12R1.69 FCNCc1ccc(cc1F)Br 34a_100000754580_100015361967 [0,2,0,0,0,0|2,0,0]=4 8725 B12R1.69 FCNCc1ccc(cc1F)Cl 34a_100000708496_100015361967 [0,2,0,0,0,0|2,0,0]=4 8726 B12R1.69 FCNCc1ccc(cc1F)F 34a_100000737868_100015361967 [0,2,0,0,0,0|2,0,0]=4 8727 B12R1.69 FCOCc1ccc(cc1Br)Br 34a_100012357508_100015361967 [0,2,0,0,0,0|2,0,0]=4 8728 B12R1.69 FCOCc1ccc(cc1Br)Br 7a_100012357508_100015361967 [0,2,0,0,0,0|2,0,0]=4 8729 B12R1.69 FCOCc1ccc(cc1Br)Cl 34a_100000707881_100015361967 [0,2,0,0,0,0|2,0,0]=4 8730 B12R1.69 FCOCc1ccc(cc1Br)Cl 7a_100000707881_100015361967 [0,2,0,0,0,0|2,0,0]=4 8731 B12R1.69 FCOCc1ccc(cc1Br)F 34a_100000744086_100015361967 [0,2,0,0,0,0|2,0,0]=4 8732 B12R1.69 FCOCc1ccc(cc1Br)F 7a_100000744086_100015361967 [0,2,0,0,0,0|2,0,0]=4 8733 B12R1.69 FCOCc1ccc(cc1Br)I 7a_100010240206_100015361967 [0,2,0,0,0,0|2,0,0]=4 8734 B12R1.69 FCOCc1ccc(cc1Cl)Br 34a_100000756401_100015361967 [0,2,0,0,0,0|2,0,0]=4 8735 B12R1.69 FCOCc1ccc(cc1Cl)Br 7a_100000756401_100015361967 [0,2,0,0,0,0|2,0,0]=4 8736 B12R1.69 FCOCc1ccc(cc1Cl)Cl 34a_100000215721_100015361967 [0,2,0,0,0,0|2,0,0]=4 8737 B12R1.69 FCOCc1ccc(cc1Cl)Cl 7a_100000215721_100015361967 [0,2,0,0,0,0|2,0,0]=4 8738 B12R1.69 FCOCc1ccc(cc1Cl)F 34a_100011219954_100015361967 [0,2,0,0,0,0|2,0,0]=4 8739 B12R1.69 FCOCc1ccc(cc1Cl)F 7a_100011219954_100015361967 [0,2,0,0,0,0|2,0,0]=4 8740 B12R1.69 FCOCc1ccc(cc1F)Br 34a_100011191541_100015361967 [0,2,0,0,0,0|2,0,0]=4 8741 B12R1.69 FCOCc1ccc(cc1F)Br 7a_100011191541_100015361967 [0,2,0,0,0,0|2,0,0]=4 8742 B12R1.69 FCOCc1ccc(cc1F)Cl 34a_100011217562_100015361967 [0,2,0,0,0,0|2,0,0]=4 8743 B12R1.69 FCOCc1ccc(cc1F)Cl 7a_100011217562_100015361967 [0,2,0,0,0,0|2,0,0]=4 8744 B12R1.69 FCOCc1ccc(cc1F)F 34a_100011215441_100015361967 [0,2,0,0,0,0|2,0,0]=4 8745 B12R1.69 FCOCc1ccc(cc1F)F 7a_100011215441_100015361967 [0,2,0,0,0,0|2,0,0]=4 8746 B12R1.69 FCOCc1ccc(cc1F)I 34a_200010202041_100015361967 [0,2,0,0,0,0|2,0,0]=4 8747 B12R1.69 FCOCc1ccc(cc1F)I 7a_200010202041_100015361967 [0,2,0,0,0,0|2,0,0]=4 8748 B12R1.69 FCOCc1ccc(cc1I)Br 7a_100010146605_100015361967 [0,2,0,0,0,0|2,0,0]=4 8749 B12R1.69 FCOCc1ccc(cc1I)Cl 34a_100000722340_100015361967 [0,2,0,0,0,0|2,0,0]=4 8750 B12R1.69 FCOCc1ccc(cc1I)Cl 7a_100000722340_100015361967 [0,2,0,0,0,0|2,0,0]=4 8751 B12R1.69 FCOCc1ccc(cc1I)F 34a_100011356828_100015361967 [0,2,0,0,0,0|2,0,0]=4 8752 B12R1.69 FCOCc1ccc(cc1I)F 7a_100011356828_100015361967 [0,2,0,0,0,0|2,0,0]=4 8753 B12R1.69 FCSCc1ccc(cc1Br)Br 62a_100015361967_200012351560 [0,2,0,0,0,0|2,0,0]=4 8754 B12R1.69 FCSCc1ccc(cc1Br)Br 62a_200012351560_100015361967 [0,2,0,0,0,0|2,0,0]=4 8755 B12R1.69 FCSCc1ccc(cc1Br)Cl 62a_100000755608_100015361967 [0,2,0,0,0,0|2,0,0]=4 8756 B12R1.69 FCSCc1ccc(cc1Br)Cl 62a_100015361967_100000755608 [0,2,0,0,0,0|2,0,0]=4 8757 B12R1.69 FCSCc1ccc(cc1Br)F 62a_100000243222_100015361967 [0,2,0,0,0,0|2,0,0]=4 8758 B12R1.69 FCSCc1ccc(cc1Br)F 62a_100015361967_100000243222 [0,2,0,0,0,0|2,0,0]=4 8759 B12R1.69 FCSCc1ccc(cc1Br)I 62a_100010146610_100015361967 [0,2,0,0,0,0|2,0,0]=4 8760 B12R1.69 FCSCc1ccc(cc1Br)I 62a_100015361967_100010146610 [0,2,0,0,0,0|2,0,0]=4 8761 B12R1.69 FCSCc1ccc(cc1Cl)Br 62a_100011740631_100015361967 [0,2,0,0,0,0|2,0,0]=4 8762 B12R1.69 FCSCc1ccc(cc1Cl)Br 62a_100015361967_100011740631 [0,2,0,0,0,0|2,0,0]=4 8763 B12R1.69 FCSCc1ccc(cc1Cl)Cl 62a_100000188473_100015361967 [0,2,0,0,0,0|2,0,0]=4 8764 B12R1.69 FCSCc1ccc(cc1Cl)Cl 62a_100015361967_100000188473 [0,2,0,0,0,0|2,0,0]=4 8765 B12R1.69 FCSCc1ccc(cc1Cl)F 62a_100000187853_100015361967 [0,2,0,0,0,0|2,0,0]=4 8766 B12R1.69 FCSCc1ccc(cc1Cl)F 62a_100015361967_100000187853 [0,2,0,0,0,0|2,0,0]=4 8767 B12R1.69 FCSCc1ccc(cc1F)Br 62a_100000211606_100015361967 [0,2,0,0,0,0|2,0,0]=4 8768 B12R1.69 FCSCc1ccc(cc1F)Br 62a_100015361967_100000211606 [0,2,0,0,0,0|2,0,0]=4 8769 B12R1.69 FCSCc1ccc(cc1F)Cl 62a_100000709361_100015361967 [0,2,0,0,0,0|2,0,0]=4 8770 B12R1.69 FCSCc1ccc(cc1F)Cl 62a_100015361967_100000709361 [0,2,0,0,0,0|2,0,0]=4 8771 B12R1.69 FCSCc1ccc(cc1F)F 62a_100000748237_100015361967 [0,2,0,0,0,0|2,0,0]=4 8772 B12R1.69 FCSCc1ccc(cc1F)F 62a_100015361967_100000748237 [0,2,0,0,0,0|2,0,0]=4 8773 B12R1.69 FCSCc1ccc(cc1F)I 62a_100010244991_100015361967 [0,2,0,0,0,0|2,0,0]=4 8774 B12R1.69 FCSCc1ccc(cc1F)I 62a_100015361967_100010244991 [0,2,0,0,0,0|2,0,0]=4 8775 B12R1.69 FCSCc1ccc(cc1I)Br 62a_100010146615_100015361967 [0,2,0,0,0,0|2,0,0]=4 8776 B12R1.69 FCSCc1ccc(cc1I)Br 62a_100015361967_100010146615 [0,2,0,0,0,0|2,0,0]=4 8777 B12R1.69 FCSCc1ccc(cc1I)Cl 62a_100010254388_100015361967 [0,2,0,0,0,0|2,0,0]=4 8778 B12R1.69 FCSCc1ccc(cc1I)Cl 62a_100015361967_100010254388 [0,2,0,0,0,0|2,0,0]=4 8779 B12R1.69 FCSCc1ccc(cc1I)F 62a_100012354799_100015361967 [0,2,0,0,0,0|2,0,0]=4 8780 B12R1.69 FCSCc1ccc(cc1I)F 62a_100015361967_100012354799 [0,2,0,0,0,0|2,0,0]=4 8781 B12R1.69 Nc1[nH]c(=O)ccc1SCCO 62a_100009884077_100000211926 [0,2,0,0,0,0|2,0,0]=4 8782 B12R1.69 Nc1cc(c(cn1)SCCO)Br 62a_100000211926_100010074611 [0,2,0,0,0,0|2,0,0]=4 8783 B12R1.69 Nc1cc(c(cn1)SCCO)Br 62a_100010074611_100000211926 [0,2,0,0,0,0|2,0,0]=4 8784 B12R1.69 Nc1cc(c(cn1)SCCO)Cl 62a_100000211926_100000694920 [0,2,0,0,0,0|2,0,0]=4 8785 B12R1.69 Nc1cc(c(cn1)SCCO)Cl 62a_100000694920_100000211926 [0,2,0,0,0,0|2,0,0]=4 8786 B12R1.69 Nc1cc(c(cn1)SCCO)F 62a_100000211926_100009844730 [0,2,0,0,0,0|2,0,0]=4 8787 B12R1.69 Nc1cc(c(cn1)SCCO)F 62a_100009844730_100000211926 [0,2,0,0,0,0|2,0,0]=4 8788 B12R1.69 Nc1cc(c(cn1)SCCO)N 62a_100000211926_200009857908 [0,2,0,0,0,0|2,0,0]=4 8789 B12R1.69 Nc1cc(c(cn1)SCCO)N 62a_200009857908_100000211926 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.69 Nc1cc(ccc1COCF)Br 34a_100000718831_100015361967 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.69 Nc1cc(ccc1COCF)Br 7a_100000718831_100015361967 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.69 Nc1cc(ccc1COCF)Cl 34a_100000238622_100015361967 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.69 Nc1cc(ccc1COCF)Cl 7a_100000238622_100015361967 [0,2,0,0,0,0|2,0,0]=4 8794 B12R1.69 Nc1cc(ccc1COCF)F 34a_100011996588_100015361967 [0,2,0,0,0,0|2,0,0]=4 8795 B12R1.69 Nc1cc(ccc1OCCF)Br 34a_100000752626_100011217306 [0,2,0,0,0,0|2,0,0]=4 8796 B12R1.69 Nc1cc(ccc1OCCF)Br 7a_100000752626_100011217306 [0,2,0,0,0,0|2,0,0]=4 8797 B12R1.69 Nc1cc(ccc1OCCF)Cl 34a_100000210500_100011217306 [0,2,0,0,0,0|2,0,0]=4 8798 B12R1.69 Nc1cc(ccc1OCCF)Cl 7a_100000210500_100011217306 [0,2,0,0,0,0|2,0,0]=4 8799 B12R1.69 Nc1cc(ccc1OCCF)F 34a_100000759472_100011217306 [0,2,0,0,0,0|2,0,0]=4 8800 B12R1.69 Nc1cc(ccc1OCCF)F 7a_100000759472_100011217306 [0,2,0,0,0,0|2,0,0]=4 8801 B12R1.69 Nc1cc(ccc1OCCF)I 34a_100000753495_100011217306 [0,2,0,0,0,0|2,0,0]=4 8802 B12R1.69 Nc1cc(ccc1OCCF)I 7a_100000753495_100011217306 [0,2,0,0,0,0|2,0,0]=4 8803 B12R1.69 Nc1cc(ccc1OCCO)Br 34a_100000752626_100000211926 [0,2,0,0,0,0|1,0,0]=3 8804 B12R1.69 Nc1cc(ccc1OCCO)Br 7a_100000752626_100000211926 [0,2,0,0,0,0|1,0,0]=3 8805 B12R1.69 Nc1cc(ccc1OCCO)Cl 34a_100000210500_100000211926 [0,2,0,0,0,0|1,0,0]=3 8806 B12R1.69 Nc1cc(ccc1OCCO)Cl 7a_100000210500_100000211926 [0,2,0,0,0,0|1,0,0]=3 8807 B12R1.69 Nc1cc(ccc1OCCO)F 34a_100000759472_100000211926 [0,2,0,0,0,0|1,0,0]=3 8808 B12R1.69 Nc1cc(ccc1OCCO)F 7a_100000759472_100000211926 [0,2,0,0,0,0|1,0,0]=3 8809 B12R1.69 Nc1cc(ccc1OCCO)I 34a_100000753495_100000211926 [0,2,0,0,0,0|1,0,0]=3 8810 B12R1.69 Nc1cc(ccc1OCCO)I 7a_100000753495_100000211926 [0,2,0,0,0,0|1,0,0]=3 8811 B12R1.69 Nc1cc(ccc1SCCF)Br 62a_100000743836_100011217306 [0,2,0,0,0,0|2,0,0]=4 8812 B12R1.69 Nc1cc(ccc1SCCF)Br 62a_100011217306_100000743836 [0,2,0,0,0,0|2,0,0]=4 8813 B12R1.69 Nc1cc(ccc1SCCF)Cl 62a_100000761886_100011217306 [0,2,0,0,0,0|2,0,0]=4 8814 B12R1.69 Nc1cc(ccc1SCCF)Cl 62a_100011217306_100000761886 [0,2,0,0,0,0|2,0,0]=4 8815 B12R1.69 Nc1cc(ccc1SCCF)F 62a_100000687223_100011217306 [0,2,0,0,0,0|2,0,0]=4 8816 B12R1.69 Nc1cc(ccc1SCCF)F 62a_100011217306_100000687223 [0,2,0,0,0,0|2,0,0]=4 8817 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011217306_100011999798 [0,2,0,0,0,0|2,0,0]=4 8818 B12R1.69 Nc1cc(ccc1SCCF)O 62a_100011999798_100011217306 [0,2,0,0,0,0|2,0,0]=4 8819 B12R1.69 Nc1cc(ccc1SCCO)Br 62a_100000211926_100000743836 [0,2,0,0,0,0|1,0,0]=3 8820 B12R1.69 Nc1cc(ccc1SCCO)Br 62a_100000743836_100000211926 [0,2,0,0,0,0|1,0,0]=3 8821 B12R1.69 Nc1cc(ccc1SCCO)Cl 62a_100000211926_100000761886 [0,2,0,0,0,0|1,0,0]=3 8822 B12R1.69 Nc1cc(ccc1SCCO)Cl 62a_100000761886_100000211926 [0,2,0,0,0,0|1,0,0]=3 8823 B12R1.69 Nc1cc(ccc1SCCO)F 62a_100000211926_100000687223 [0,2,0,0,0,0|1,0,0]=3 8824 B12R1.69 Nc1cc(ccc1SCCO)F 62a_100000687223_100000211926 [0,2,0,0,0,0|1,0,0]=3 8825 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100000211926_100011999798 [0,2,0,0,0,0|1,0,0]=3 8826 B12R1.69 Nc1cc(ccc1SCCO)O 62a_100011999798_100000211926 [0,2,0,0,0,0|1,0,0]=3 8827 B12R1.69 Nc1cc(cnc1OCCO)Br 34a_100000743729_100000211926 [0,2,0,0,0,0|2,0,0]=4 8828 B12R1.69 Nc1cc(cnc1OCCO)Cl 34a_100011998249_100000211926 [0,2,0,0,0,0|2,0,0]=4 8829 B12R1.69 Nc1cc(cnc1SCCO)Br 62a_100000211926_100010090555 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.69 Nc1cc(cnc1SCCO)Br 62a_100010090555_100000211926 [0,2,0,0,0,0|2,0,0]=4 8831 B12R1.69 Nc1cc(cnc1SCCO)F 62a_100000211926_100009817643 [0,2,0,0,0,0|2,0,0]=4 8832 B12R1.69 Nc1cc(cnc1SCCO)F 62a_100009817643_100000211926 [0,2,0,0,0,0|2,0,0]=4 8833 B12R1.69 Nc1cc(ncc1OCCO)Br 34a_100009819941_100000211926 [0,2,0,0,0,0|2,0,0]=4 8834 B12R1.69 Nc1cc(ncc1OCCO)Br 7a_100009819941_100000211926 [0,2,0,0,0,0|2,0,0]=4 8835 B12R1.69 Nc1cc(ncc1SCCO)Cl 62a_100000211926_100010209552 [0,2,0,0,0,0|2,0,0]=4 8836 B12R1.69 Nc1cc(ncc1SCCO)Cl 62a_100010209552_100000211926 [0,2,0,0,0,0|2,0,0]=4 8837 B12R1.69 Nc1ccc(c(c1)Br)OCCF 34a_100011534360_100011217306 [0,2,0,0,0,0|2,0,0]=4 8838 B12R1.69 Nc1ccc(c(c1)Br)OCCF 7a_100011534360_100011217306 [0,2,0,0,0,0|2,0,0]=4 8839 B12R1.69 Nc1ccc(c(c1)Br)OCCO 34a_100011534360_100000211926 [0,2,0,0,0,0|1,0,0]=3 8840 B12R1.69 Nc1ccc(c(c1)Br)OCCO 7a_100011534360_100000211926 [0,2,0,0,0,0|1,0,0]=3 8841 B12R1.69 Nc1ccc(c(c1)Br)SCCF 62a_100000750458_100011217306 [0,2,0,0,0,0|2,0,0]=4 8842 B12R1.69 Nc1ccc(c(c1)Br)SCCF 62a_100011217306_100000750458 [0,2,0,0,0,0|2,0,0]=4 8843 B12R1.69 Nc1ccc(c(c1)Br)SCCO 62a_100000211926_100000750458 [0,2,0,0,0,0|1,0,0]=3 8844 B12R1.69 Nc1ccc(c(c1)Br)SCCO 62a_100000750458_100000211926 [0,2,0,0,0,0|1,0,0]=3 8845 B12R1.69 Nc1ccc(c(c1)Cl)COCF 34a_100000689119_100015361967 [0,2,0,0,0,0|2,0,0]=4 8846 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 34a_100000744943_100011217306 [0,2,0,0,0,0|2,0,0]=4 8847 B12R1.69 Nc1ccc(c(c1)Cl)OCCF 7a_100000744943_100011217306 [0,2,0,0,0,0|2,0,0]=4 8848 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 34a_100000744943_100000211926 [0,2,0,0,0,0|1,0,0]=3 8849 B12R1.69 Nc1ccc(c(c1)Cl)OCCO 7a_100000744943_100000211926 [0,2,0,0,0,0|1,0,0]=3 8850 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100000761885_100011217306 [0,2,0,0,0,0|2,0,0]=4 8851 B12R1.69 Nc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000761885 [0,2,0,0,0,0|2,0,0]=4 8852 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000211926_100000761885 [0,2,0,0,0,0|1,0,0]=3 8853 B12R1.69 Nc1ccc(c(c1)Cl)SCCO 62a_100000761885_100000211926 [0,2,0,0,0,0|1,0,0]=3 8854 B12R1.69 Nc1ccc(c(c1)F)OCCF 34a_100011220035_100011217306 [0,2,0,0,0,0|2,0,0]=4 8855 B12R1.69 Nc1ccc(c(c1)F)OCCF 7a_100011220035_100011217306 [0,2,0,0,0,0|2,0,0]=4 8856 B12R1.69 Nc1ccc(c(c1)F)OCCO 34a_100011220035_100000211926 [0,2,0,0,0,0|1,0,0]=3 8857 B12R1.69 Nc1ccc(c(c1)F)OCCO 7a_100011220035_100000211926 [0,2,0,0,0,0|1,0,0]=3 8858 B12R1.69 Nc1ccc(c(c1)F)SCCF 62a_100011217306_100011356925 [0,2,0,0,0,0|2,0,0]=4 8859 B12R1.69 Nc1ccc(c(c1)F)SCCF 62a_100011356925_100011217306 [0,2,0,0,0,0|2,0,0]=4 8860 B12R1.69 Nc1ccc(c(c1)F)SCCO 62a_100000211926_100011356925 [0,2,0,0,0,0|1,0,0]=3 8861 B12R1.69 Nc1ccc(c(c1)F)SCCO 62a_100011356925_100000211926 [0,2,0,0,0,0|1,0,0]=3 8862 B12R1.69 Nc1ccc(c(c1)N)OCCF 34a_100000725306_100011217306 [0,2,0,0,0,0|2,0,0]=4 8863 B12R1.69 Nc1ccc(c(c1)N)OCCO 34a_100000725306_100000211926 [0,2,0,0,0,0|1,0,0]=3 8864 B12R1.69 Nc1ccc(c(c1)N)SCCF 62a_100011217306_200012175722 [0,2,0,0,0,0|2,0,0]=4 8865 B12R1.69 Nc1ccc(c(c1)N)SCCF 62a_200012175722_100011217306 [0,2,0,0,0,0|2,0,0]=4 8866 B12R1.69 Nc1ccc(c(c1)N)SCCO 62a_100000211926_200012175722 [0,2,0,0,0,0|1,0,0]=3 8867 B12R1.69 Nc1ccc(c(c1)N)SCCO 62a_200012175722_100000211926 [0,2,0,0,0,0|1,0,0]=3 8868 B12R1.69 Nc1ccc(c(n1)Br)SCCO 62a_100000211926_100010734177 [0,2,0,0,0,0|2,0,0]=4 8869 B12R1.69 Nc1ccc(c(n1)Br)SCCO 62a_100010734177_100000211926 [0,2,0,0,0,0|2,0,0]=4 8870 B12R1.69 Nc1ccc(c(n1)Cl)SCCO 62a_100000211926_100010270343 [0,2,0,0,0,0|2,0,0]=4 8871 B12R1.69 Nc1ccc(c(n1)Cl)SCCO 62a_100010270343_100000211926 [0,2,0,0,0,0|2,0,0]=4 8872 B12R1.69 Nc1ccc(c(n1)F)SCCO 62a_100000211926_100009882772 [0,2,0,0,0,0|2,0,0]=4 8873 B12R1.69 Nc1ccc(c(n1)F)SCCO 62a_100009882772_100000211926 [0,2,0,0,0,0|2,0,0]=4 8874 B12R1.69 Nc1ccc(c(n1)N)SCCO 62a_100011356871_100000211926 [0,2,0,0,0,0|2,0,0]=4 8875 B12R1.69 Nc1cnc(c(c1)F)SCCO 62a_100000211926_100010280766 [0,2,0,0,0,0|2,0,0]=4 8876 B12R1.69 Nc1cnc(c(c1)F)SCCO 62a_100010280766_100000211926 [0,2,0,0,0,0|2,0,0]=4 8877 B12R1.69 Nc1cnc(c(c1)N)SCCO 62a_100000211926_200000093520 [0,2,0,0,0,0|2,0,0]=4 8878 B12R1.69 Nc1cnc(c(c1)N)SCCO 62a_200000093520_100000211926 [0,2,0,0,0,0|2,0,0]=4 8879 B12R1.69 Nc1nc(ccc1OCCO)Br 34a_100000685527_100000211926 [0,2,0,0,0,0|2,0,0]=4 8880 B12R1.69 Nc1nc(ccc1OCCO)Br 7a_100000685527_100000211926 [0,2,0,0,0,0|2,0,0]=4 8881 B12R1.69 Nc1nc(ccc1OCCO)Cl 34a_100000717809_100000211926 [0,2,0,0,0,0|2,0,0]=4 8882 B12R1.69 Nc1nc(ccc1OCCO)Cl 7a_100000717809_100000211926 [0,2,0,0,0,0|2,0,0]=4 8883 B12R1.69 Nc1nc(ccc1SCCO)Cl 62a_100000211926_100010171640 [0,2,0,0,0,0|2,0,0]=4 8884 B12R1.69 Nc1nc(ccc1SCCO)Cl 62a_100010171640_100000211926 [0,2,0,0,0,0|2,0,0]=4 8885 B12R1.69 Nc1nc(ccc1SCCO)F 62a_100000211926_100009854977 [0,2,0,0,0,0|2,0,0]=4 8886 B12R1.69 Nc1nc(ccc1SCCO)F 62a_100009854977_100000211926 [0,2,0,0,0,0|2,0,0]=4 8887 B12R1.69 O=c1cc(c(c[nH]1)SCCO)F 62a_100000211926_100015631685 [0,2,0,0,0,0|2,0,0]=4 8888 B12R1.69 O=c1cc(c(c[nH]1)SCCO)F 62a_100015631685_100000211926 [0,2,0,0,0,0|2,0,0]=4 8889 B12R1.69 OCCNc1ccc(cc1Br)Br 34a_100000211012_100000211926 [0,2,0,0,0,0|1,0,0]=3 8890 B12R1.69 OCCNc1ccc(cc1Br)Cl 34a_100000752454_100000211926 [0,2,0,0,0,0|1,0,0]=3 8891 B12R1.69 OCCNc1ccc(cc1Br)F 34a_100000738039_100000211926 [0,2,0,0,0,0|1,0,0]=3 8892 B12R1.69 OCCNc1ccc(cc1Br)O 34a_100012001276_100000211926 [0,2,0,0,0,0|1,0,0]=3 8893 B12R1.69 OCCNc1ccc(cc1Cl)Br 34a_100000211467_100000211926 [0,2,0,0,0,0|1,0,0]=3 8894 B12R1.69 OCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000211926 [0,2,0,0,0,0|1,0,0]=3 8895 B12R1.69 OCCNc1ccc(cc1Cl)F 34a_100000212003_100000211926 [0,2,0,0,0,0|1,0,0]=3 8896 B12R1.69 OCCNc1ccc(cc1Cl)I 34a_100011218065_100000211926 [0,2,0,0,0,0|1,0,0]=3 8897 B12R1.69 OCCNc1ccc(cc1Cl)O 34a_100011215599_100000211926 [0,2,0,0,0,0|1,0,0]=3 8898 B12R1.69 OCCNc1ccc(cc1F)Br 34a_100000210722_100000211926 [0,2,0,0,0,0|1,0,0]=3 8899 B12R1.69 OCCNc1ccc(cc1F)Cl 34a_100000211020_100000211926 [0,2,0,0,0,0|1,0,0]=3 8900 B12R1.69 OCCNc1ccc(cc1F)F 34a_100000210720_100000211926 [0,2,0,0,0,0|1,0,0]=3 8901 B12R1.69 OCCNc1ccc(cc1F)I 34a_100011215594_100000211926 [0,2,0,0,0,0|1,0,0]=3 8902 B12R1.69 OCCNc1ccc(cc1F)O 34a_100000759473_100000211926 [0,2,0,0,0,0|1,0,0]=3 8903 B12R1.69 OCCNc1ccc(cc1I)Br 34a_100000187925_100000211926 [0,2,0,0,0,0|1,0,0]=3 8904 B12R1.69 OCCNc1ccc(cc1I)Cl 34a_100000761889_100000211926 [0,2,0,0,0,0|1,0,0]=3 8905 B12R1.69 OCCNc1ccc(cc1I)F 34a_100000760547_100000211926 [0,2,0,0,0,0|1,0,0]=3 8906 B12R1.69 OCCNc1ccc(cc1I)O 34a_100010084370_100000211926 [0,2,0,0,0,0|1,0,0]=3 8907 B12R1.69 OCCNc1ccc(cc1O)Br 34a_100000739049_100000211926 [0,2,0,0,0,0|1,0,0]=3 8908 B12R1.69 OCCNc1ccc(cc1O)Cl 34a_100000185728_100000211926 [0,2,0,0,0,0|1,0,0]=3 8909 B12R1.69 OCCNc1ccc(cc1O)F 34a_100000753323_100000211926 [0,2,0,0,0,0|1,0,0]=3 8910 B12R1.69 OCCNc1ccc(cc1O)O 34a_100000106777_100000211926 [0,2,0,0,0,0|1,0,0]=3 8911 B12R1.69 OCCOc1ccc(cc1Br)Br 34a_100000188717_100000211926 [0,2,0,0,0,0|1,0,0]=3 8912 B12R1.69 OCCOc1ccc(cc1Br)Br 7a_100000188717_100000211926 [0,2,0,0,0,0|1,0,0]=3 8913 B12R1.69 OCCOc1ccc(cc1Br)Cl 34a_100000211998_100000211926 [0,2,0,0,0,0|1,0,0]=3 8914 B12R1.69 OCCOc1ccc(cc1Br)Cl 7a_100000211998_100000211926 [0,2,0,0,0,0|1,0,0]=3 8915 B12R1.69 OCCOc1ccc(cc1Br)F 34a_100000211999_100000211926 [0,2,0,0,0,0|1,0,0]=3 8916 B12R1.69 OCCOc1ccc(cc1Br)F 7a_100000211999_100000211926 [0,2,0,0,0,0|1,0,0]=3 8917 B12R1.69 OCCOc1ccc(cc1Br)I 34a_100012361655_100000211926 [0,2,0,0,0,0|1,0,0]=3 8918 B12R1.69 OCCOc1ccc(cc1Br)I 7a_100012361655_100000211926 [0,2,0,0,0,0|1,0,0]=3 8919 B12R1.69 OCCOc1ccc(cc1Cl)Br 34a_100000186472_100000211926 [0,2,0,0,0,0|1,0,0]=3 8920 B12R1.69 OCCOc1ccc(cc1Cl)Br 7a_100000186472_100000211926 [0,2,0,0,0,0|1,0,0]=3 8921 B12R1.69 OCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000211926 [0,2,0,0,0,0|1,0,0]=3 8922 B12R1.69 OCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000211926 [0,2,0,0,0,0|1,0,0]=3 8923 B12R1.69 OCCOc1ccc(cc1Cl)F 34a_100000212004_100000211926 [0,2,0,0,0,0|1,0,0]=3 8924 B12R1.69 OCCOc1ccc(cc1Cl)F 7a_100000212004_100000211926 [0,2,0,0,0,0|1,0,0]=3 8925 B12R1.69 OCCOc1ccc(cc1Cl)I 34a_100012360047_100000211926 [0,2,0,0,0,0|1,0,0]=3 8926 B12R1.69 OCCOc1ccc(cc1Cl)I 7a_100012360047_100000211926 [0,2,0,0,0,0|1,0,0]=3 8927 B12R1.69 OCCOc1ccc(cc1F)Br 34a_100000185481_100000211926 [0,2,0,0,0,0|1,0,0]=3 8928 B12R1.69 OCCOc1ccc(cc1F)Br 7a_100000185481_100000211926 [0,2,0,0,0,0|1,0,0]=3 8929 B12R1.69 OCCOc1ccc(cc1F)Cl 34a_100000230166_100000211926 [0,2,0,0,0,0|1,0,0]=3 8930 B12R1.69 OCCOc1ccc(cc1F)Cl 7a_100000230166_100000211926 [0,2,0,0,0,0|1,0,0]=3 8931 B12R1.69 OCCOc1ccc(cc1F)F 34a_100000230127_100000211926 [0,2,0,0,0,0|1,0,0]=3 8932 B12R1.69 OCCOc1ccc(cc1F)F 7a_100000230127_100000211926 [0,2,0,0,0,0|1,0,0]=3 8933 B12R1.69 OCCOc1ccc(cc1F)I 34a_100011356965_100000211926 [0,2,0,0,0,0|1,0,0]=3 8934 B12R1.69 OCCOc1ccc(cc1F)I 7a_100011356965_100000211926 [0,2,0,0,0,0|1,0,0]=3 8935 B12R1.69 OCCOc1ccc(cc1I)Br 34a_100012355227_100000211926 [0,2,0,0,0,0|1,0,0]=3 8936 B12R1.69 OCCOc1ccc(cc1I)Br 7a_100012355227_100000211926 [0,2,0,0,0,0|1,0,0]=3 8937 B12R1.69 OCCOc1ccc(cc1I)Cl 34a_100011356953_100000211926 [0,2,0,0,0,0|1,0,0]=3 8938 B12R1.69 OCCOc1ccc(cc1I)Cl 7a_100011356953_100000211926 [0,2,0,0,0,0|1,0,0]=3 8939 B12R1.69 OCCOc1ccc(cc1I)F 34a_100012355409_100000211926 [0,2,0,0,0,0|1,0,0]=3 8940 B12R1.69 OCCOc1ccc(cc1I)F 7a_100012355409_100000211926 [0,2,0,0,0,0|1,0,0]=3 8941 B12R1.69 OCCOc1ccc(cc1I)I 7a_100010001573_100000211926 [0,2,0,0,0,0|1,0,0]=3 8942 B12R1.69 OCCOc1ccc(nc1Br)Br 34a_100009999766_100000211926 [0,2,0,0,0,0|2,0,0]=4 8943 B12R1.69 OCCOc1ccc(nc1Br)Br 7a_100009999766_100000211926 [0,2,0,0,0,0|2,0,0]=4 8944 B12R1.69 OCCOc1ccc(nc1Br)Cl 34a_100010219353_100000211926 [0,2,0,0,0,0|2,0,0]=4 8945 B12R1.69 OCCOc1ccc(nc1Br)Cl 7a_100010219353_100000211926 [0,2,0,0,0,0|2,0,0]=4 8946 B12R1.69 OCCOc1ccc(nc1Br)F 34a_100009887730_100000211926 [0,2,0,0,0,0|2,0,0]=4 8947 B12R1.69 OCCOc1ccc(nc1Br)F 7a_100009887730_100000211926 [0,2,0,0,0,0|2,0,0]=4 8948 B12R1.69 OCCOc1ccc(nc1Br)I 34a_100000725334_100000211926 [0,2,0,0,0,0|2,0,0]=4 8949 B12R1.69 OCCOc1ccc(nc1Br)I 7a_100000725334_100000211926 [0,2,0,0,0,0|2,0,0]=4 8950 B12R1.69 OCCOc1ccc(nc1Cl)Br 34a_100010246206_100000211926 [0,2,0,0,0,0|2,0,0]=4 8951 B12R1.69 OCCOc1ccc(nc1Cl)Br 7a_100010246206_100000211926 [0,2,0,0,0,0|2,0,0]=4 8952 B12R1.69 OCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000211926 [0,2,0,0,0,0|2,0,0]=4 8953 B12R1.69 OCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000211926 [0,2,0,0,0,0|2,0,0]=4 8954 B12R1.69 OCCOc1ccc(nc1Cl)I 34a_100000721234_100000211926 [0,2,0,0,0,0|2,0,0]=4 8955 B12R1.69 OCCOc1ccc(nc1Cl)I 7a_100000721234_100000211926 [0,2,0,0,0,0|2,0,0]=4 8956 B12R1.69 OCCOc1ccc(nc1F)Br 34a_100009819667_100000211926 [0,2,0,0,0,0|2,0,0]=4 8957 B12R1.69 OCCOc1ccc(nc1F)Br 7a_100009819667_100000211926 [0,2,0,0,0,0|2,0,0]=4 8958 B12R1.69 OCCOc1ccc(nc1F)Cl 34a_100009880201_100000211926 [0,2,0,0,0,0|2,0,0]=4 8959 B12R1.69 OCCOc1ccc(nc1F)Cl 7a_100009880201_100000211926 [0,2,0,0,0,0|2,0,0]=4 8960 B12R1.69 OCCOc1ccc(nc1F)F 34a_100000101184_100000211926 [0,2,0,0,0,0|2,0,0]=4 8961 B12R1.69 OCCOc1ccc(nc1F)F 7a_100000101184_100000211926 [0,2,0,0,0,0|2,0,0]=4 8962 B12R1.69 OCCOc1ccc(nc1I)Br 34a_100010253912_100000211926 [0,2,0,0,0,0|2,0,0]=4 8963 B12R1.69 OCCOc1ccc(nc1I)Br 7a_100010253912_100000211926 [0,2,0,0,0,0|2,0,0]=4 8964 B12R1.69 OCCOc1ccc(nc1I)Cl 34a_100000696390_100000211926 [0,2,0,0,0,0|2,0,0]=4 8965 B12R1.69 OCCOc1ccc(nc1I)Cl 7a_100000696390_100000211926 [0,2,0,0,0,0|2,0,0]=4 8966 B12R1.69 OCCOc1ccc(nc1I)F 34a_100010382442_100000211926 [0,2,0,0,0,0|2,0,0]=4 8967 B12R1.69 OCCOc1ccc(nc1I)F 7a_100010382442_100000211926 [0,2,0,0,0,0|2,0,0]=4 8968 B12R1.69 OCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000211926 [0,2,0,0,0,0|2,0,0]=4 8969 B12R1.69 OCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000211926 [0,2,0,0,0,0|2,0,0]=4 8970 B12R1.69 OCCOc1cnc(cc1F)F 34a_100009885687_100000211926 [0,2,0,0,0,0|2,0,0]=4 8971 B12R1.69 OCCOc1cnc(cc1F)F 7a_100009885687_100000211926 [0,2,0,0,0,0|2,0,0]=4 8972 B12R1.69 OCCOc1cnc(cc1I)Cl 34a_100000698892_100000211926 [0,2,0,0,0,0|2,0,0]=4 8973 B12R1.69 OCCOc1cnc(cc1I)Cl 7a_100000698892_100000211926 [0,2,0,0,0,0|2,0,0]=4 8974 B12R1.69 OCCOc1ncc(cc1Br)Br 34a_100000701035_100000211926 [0,2,0,0,0,0|2,0,0]=4 8975 B12R1.69 OCCOc1ncc(cc1Cl)Br 34a_100012339560_100000211926 [0,2,0,0,0,0|2,0,0]=4 8976 B12R1.69 OCCOc1ncc(cc1Cl)F 34a_100009847679_100000211926 [0,2,0,0,0,0|2,0,0]=4 8977 B12R1.69 OCCOc1ncc(cc1F)Cl 34a_100011998252_100000211926 [0,2,0,0,0,0|2,0,0]=4 8978 B12R1.69 OCCOc1ncc(cc1F)F 34a_100012025737_100000211926 [0,2,0,0,0,0|2,0,0]=4 8979 B12R1.69 OCCSc1ccc(cc1Br)Br 62a_100000211926_100011484698 [0,2,0,0,0,0|1,0,0]=3 8980 B12R1.69 OCCSc1ccc(cc1Br)Br 62a_100011484698_100000211926 [0,2,0,0,0,0|1,0,0]=3 8981 B12R1.69 OCCSc1ccc(cc1Br)Cl 62a_100000211926_100011219703 [0,2,0,0,0,0|1,0,0]=3 8982 B12R1.69 OCCSc1ccc(cc1Br)Cl 62a_100011219703_100000211926 [0,2,0,0,0,0|1,0,0]=3 8983 B12R1.69 OCCSc1ccc(cc1Br)F 62a_100000211926_100011217111 [0,2,0,0,0,0|1,0,0]=3 8984 B12R1.69 OCCSc1ccc(cc1Br)F 62a_100011217111_100000211926 [0,2,0,0,0,0|1,0,0]=3 8985 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000211926_100000701344 [0,2,0,0,0,0|1,0,0]=3 8986 B12R1.69 OCCSc1ccc(cc1Br)O 62a_100000701344_100000211926 [0,2,0,0,0,0|1,0,0]=3 8987 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100000211926_100011216062 [0,2,0,0,0,0|1,0,0]=3 8988 B12R1.69 OCCSc1ccc(cc1Cl)Br 62a_100011216062_100000211926 [0,2,0,0,0,0|1,0,0]=3 8989 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000211926_100000699841 [0,2,0,0,0,0|1,0,0]=3 8990 B12R1.69 OCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000211926 [0,2,0,0,0,0|1,0,0]=3 8991 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000211926_100000733362 [0,2,0,0,0,0|1,0,0]=3 8992 B12R1.69 OCCSc1ccc(cc1Cl)F 62a_100000733362_100000211926 [0,2,0,0,0,0|1,0,0]=3 8993 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000047559_100000211926 [0,2,0,0,0,0|1,0,0]=3 8994 B12R1.69 OCCSc1ccc(cc1Cl)O 62a_100000211926_100000047559 [0,2,0,0,0,0|1,0,0]=3 8995 B12R1.69 OCCSc1ccc(cc1F)Br 62a_100000211926_100009814013 [0,2,0,0,0,0|1,0,0]=3 8996 B12R1.69 OCCSc1ccc(cc1F)Br 62a_100009814013_100000211926 [0,2,0,0,0,0|1,0,0]=3 8997 B12R1.69 OCCSc1ccc(cc1F)Cl 62a_100000211926_100011216042 [0,2,0,0,0,0|1,0,0]=3 8998 B12R1.69 OCCSc1ccc(cc1F)Cl 62a_100011216042_100000211926 [0,2,0,0,0,0|1,0,0]=3 8999 B12R1.69 OCCSc1ccc(cc1F)F 62a_100000211926_100000750030 [0,2,0,0,0,0|1,0,0]=3 9000 B12R1.69 OCCSc1ccc(cc1F)F 62a_100000750030_100000211926 [0,2,0,0,0,0|1,0,0]=3 9001 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000211926_100000755031 [0,2,0,0,0,0|1,0,0]=3 9002 B12R1.69 OCCSc1ccc(cc1F)O 62a_100000755031_100000211926 [0,2,0,0,0,0|1,0,0]=3 9003 B12R1.69 OCCSc1ccc(cc1O)Br 62a_100000211926_100012344904 [0,2,0,0,0,0|1,0,0]=3 9004 B12R1.69 OCCSc1ccc(cc1O)Br 62a_100012344904_100000211926 [0,2,0,0,0,0|1,0,0]=3 9005 B12R1.69 OCCSc1ccc(cc1O)Cl 62a_100000050036_100000211926 [0,2,0,0,0,0|1,0,0]=3 9006 B12R1.69 OCCSc1ccc(cc1O)Cl 62a_100000211926_100000050036 [0,2,0,0,0,0|1,0,0]=3 9007 B12R1.69 OCCSc1ccc(cc1O)F 62a_100000211926_100000690578 [0,2,0,0,0,0|1,0,0]=3 9008 B12R1.69 OCCSc1ccc(cc1O)F 62a_100000690578_100000211926 [0,2,0,0,0,0|1,0,0]=3 9009 B12R1.69 OCCSc1ccc(cc1O)O 62a_100000211926_100009813921 [0,2,0,0,0,0|1,0,0]=3 9010 B12R1.69 OCCSc1ccc(nc1Cl)Br 62a_100000211926_100010246183 [0,2,0,0,0,0|2,0,0]=4 9011 B12R1.69 OCCSc1ccc(nc1Cl)Br 62a_100010246183_100000211926 [0,2,0,0,0,0|2,0,0]=4 9012 B12R1.69 OCCSc1ccc(nc1Cl)Cl 62a_100000211926_100000043682 [0,2,0,0,0,0|2,0,0]=4 9013 B12R1.69 OCCSc1ccc(nc1F)Cl 62a_100000211926_100010168078 [0,2,0,0,0,0|2,0,0]=4 9014 B12R1.69 OCCSc1ccc(nc1F)Cl 62a_100010168078_100000211926 [0,2,0,0,0,0|2,0,0]=4 9015 B12R1.69 OCCSc1ccc(nc1F)F 62a_100000070099_100000211926 [0,2,0,0,0,0|2,0,0]=4 9016 B12R1.69 OCCSc1ccc(nc1F)F 62a_100000211926_100000070099 [0,2,0,0,0,0|2,0,0]=4 9017 B12R1.69 OCCSc1ccc(nc1F)O 62a_100000211926_100009879308 [0,2,0,0,0,0|2,0,0]=4 9018 B12R1.69 OCCSc1ccc(nc1F)O 62a_100009879308_100000211926 [0,2,0,0,0,0|2,0,0]=4 9019 B12R1.69 OCCSc1cnc(cc1Br)F 62a_100000211926_100015451857 [0,2,0,0,0,0|2,0,0]=4 9020 B12R1.69 OCCSc1cnc(cc1Br)F 62a_100015451857_100000211926 [0,2,0,0,0,0|2,0,0]=4 9021 B12R1.69 OCCSc1cnc(cc1Cl)Br 62a_100000211926_100010381092 [0,2,0,0,0,0|2,0,0]=4 9022 B12R1.69 OCCSc1cnc(cc1Cl)Br 62a_100010381092_100000211926 [0,2,0,0,0,0|2,0,0]=4 9023 B12R1.69 OCCSc1cnc(cc1Cl)Cl 62a_100000211926_100010200927 [0,2,0,0,0,0|2,0,0]=4 9024 B12R1.69 OCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000211926 [0,2,0,0,0,0|2,0,0]=4 9025 B12R1.69 OCCSc1cnc(cc1F)Cl 62a_100000211926_100010128100 [0,2,0,0,0,0|2,0,0]=4 9026 B12R1.69 OCCSc1cnc(cc1F)Cl 62a_100010128100_100000211926 [0,2,0,0,0,0|2,0,0]=4 9027 B12R1.69 OCCSc1ncc(cc1Br)Cl 62a_100000211926_100012154958 [0,2,0,0,0,0|2,0,0]=4 9028 B12R1.69 OCCSc1ncc(cc1Br)Cl 62a_100012154958_100000211926 [0,2,0,0,0,0|2,0,0]=4 9029 B12R1.69 OCCSc1ncc(cc1F)Br 62a_100000211926_100012348576 [0,2,0,0,0,0|2,0,0]=4 9030 B12R1.69 OCCSc1ncc(cc1F)Br 62a_100012348576_100000211926 [0,2,0,0,0,0|2,0,0]=4 9031 B12R1.69 OCCSc1ncc(cc1F)Cl 62a_100000211926_100012348686 [0,2,0,0,0,0|2,0,0]=4 9032 B12R1.69 OCCSc1ncc(cc1F)Cl 62a_100012348686_100000211926 [0,2,0,0,0,0|2,0,0]=4 9033 B12R1.69 OCCSc1ncc(cc1F)F 62a_100000211926_100011219543 [0,2,0,0,0,0|2,0,0]=4 9034 B12R1.69 OCCSc1ncc(cc1F)F 62a_100011219543_100000211926 [0,2,0,0,0,0|2,0,0]=4 9035 B12R1.69 OCCSc1ncc(cc1F)O 62a_100000211926_100000063512 [0,2,0,0,0,0|2,0,0]=4 9036 B12R1.69 OCCSc1ncc(cc1O)Br 62a_100000211926_100010210634 [0,2,0,0,0,0|2,0,0]=4 9037 B12R1.69 OCCSc1ncc(cc1O)Br 62a_100010210634_100000211926 [0,2,0,0,0,0|2,0,0]=4 9038 B12R1.69 OCCSc1ncc(cc1O)Cl 62a_100000211926_100010233512 [0,2,0,0,0,0|2,0,0]=4 9039 B12R1.69 OCCSc1ncc(cc1O)Cl 62a_100010233512_100000211926 [0,2,0,0,0,0|2,0,0]=4 9040 B12R1.69 OCCSc1ncc(cc1O)F 62a_100000211926_100000079967 [0,2,0,0,0,0|2,0,0]=4 9041 B12R1.69 OCCSc1ncc(cc1O)F 62a_100009820119_100000211926 [0,2,0,0,0,0|2,0,0]=4 9042 B12R1.69 Oc1cc(ccc1NCCF)Br 34a_100000739049_100011217306 [0,2,0,0,0,0|2,0,0]=4 9043 B12R1.69 Oc1cc(ccc1NCCF)Cl 34a_100000185728_100011217306 [0,2,0,0,0,0|2,0,0]=4 9044 B12R1.69 Oc1cc(ccc1NCCF)F 34a_100000753323_100011217306 [0,2,0,0,0,0|2,0,0]=4 9045 B12R1.69 Oc1cc(ccc1SCCF)Br 62a_100011217306_100012344904 [0,2,0,0,0,0|2,0,0]=4 9046 B12R1.69 Oc1cc(ccc1SCCF)Br 62a_100012344904_100011217306 [0,2,0,0,0,0|2,0,0]=4 9047 B12R1.69 Oc1cc(ccc1SCCF)Cl 62a_100000050036_100011217306 [0,2,0,0,0,0|2,0,0]=4 9048 B12R1.69 Oc1cc(ccc1SCCF)Cl 62a_100011217306_100000050036 [0,2,0,0,0,0|2,0,0]=4 9049 B12R1.69 Oc1cc(ccc1SCCF)F 62a_100000690578_100011217306 [0,2,0,0,0,0|2,0,0]=4 9050 B12R1.69 Oc1cc(ccc1SCCF)F 62a_100011217306_100000690578 [0,2,0,0,0,0|2,0,0]=4 9051 B12R1.69 Oc1ccc(c(c1)Br)NCCF 34a_100012001276_100011217306 [0,2,0,0,0,0|2,0,0]=4 9052 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100000701344_100011217306 [0,2,0,0,0,0|2,0,0]=4 9053 B12R1.69 Oc1ccc(c(c1)Br)SCCF 62a_100011217306_100000701344 [0,2,0,0,0,0|2,0,0]=4 9054 B12R1.69 Oc1ccc(c(c1)Cl)CNCF 34a_200161156549_100015361967 [0,2,0,0,0,0|2,0,0]=4 9055 B12R1.69 Oc1ccc(c(c1)Cl)NCCF 34a_100011215599_100011217306 [0,2,0,0,0,0|2,0,0]=4 9056 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100000047559_100011217306 [0,2,0,0,0,0|2,0,0]=4 9057 B12R1.69 Oc1ccc(c(c1)Cl)SCCF 62a_100011217306_100000047559 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.69 Oc1ccc(c(c1)F)NCCF 34a_100000759473_100011217306 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100000755031_100011217306 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.69 Oc1ccc(c(c1)F)SCCF 62a_100011217306_100000755031 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.69 Oc1ccc(c(c1)I)NCCF 34a_100010084370_100011217306 [0,2,0,0,0,0|2,0,0]=4 9062 B12R1.69 Oc1ccc(c(c1)O)NCCF 34a_100000106777_100011217306 [0,2,0,0,0,0|2,0,0]=4 9063 B12R1.69 Oc1ccc(c(c1)O)SCCF 62a_100011217306_100009813921 [0,2,0,0,0,0|2,0,0]=4 9064 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 2230a_100000210994_200025704644 [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 34a_100000210994_200025704644 [0,2,0,0,0,0|2,0,0]=4 9066 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 2230a_103496529009_200025704644 [0,2,0,0,0,0|2,0,0]=4 9067 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 34a_103496529009_200025704644 [0,2,0,0,0,0|2,0,0]=4 9068 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 2230a_100000754870_200025704644 [0,2,0,0,0,0|2,0,0]=4 9069 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 34a_100000754870_200025704644 [0,2,0,0,0,0|2,0,0]=4 9070 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 34a_100013445822_200025704644 [0,2,0,0,0,0|2,0,0]=4 9071 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 7a_100013445822_200025704644 [0,2,0,0,0,0|2,0,0]=4 9072 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 34a_100011215701_200025704644 [0,2,0,0,0,0|2,0,0]=4 9073 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 7a_100011215701_200025704644 [0,2,0,0,0,0|2,0,0]=4 9074 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 34a_100011962860_200025704644 [0,2,0,0,0,0|2,0,0]=4 9075 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 7a_100011962860_200025704644 [0,2,0,0,0,0|2,0,0]=4 9076 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 34a_100011962869_200025704644 [0,2,0,0,0,0|2,0,0]=4 9077 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 7a_100011962869_200025704644 [0,2,0,0,0,0|2,0,0]=4 9078 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 34a_100000697962_200025704644 [0,2,0,0,0,0|2,0,0]=4 9079 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 7a_100000697962_200025704644 [0,2,0,0,0,0|2,0,0]=4 9080 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200012945151_200025704644 [0,2,0,0,0,0|2,0,0]=4 9081 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200025704644_200012945151 [0,2,0,0,0,0|2,0,0]=4 9082 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200012161198_200025704644 [0,2,0,0,0,0|2,0,0]=4 9083 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200025704644_200012161198 [0,2,0,0,0,0|2,0,0]=4 9084 B12R1.69 [O-][n+]1cc(ccc1SCCO)F 62a_100000211926_100009817261 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.69 [O-][n+]1cc(ccc1SCCO)F 62a_100009817261_100000211926 [0,2,0,0,0,0|2,0,0]=4 9086 B12R1.71 C#Cc1ccc(cc1)CNCC 207a_100015525214_100011361452 [0,2,0,0,0,0|2,0,0]=4 9087 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015199678_100000210202 [0,2,0,0,0,0|2,0,0]=4 9088 B12R1.71 C#Cc1ccc(cc1)CNCC 2230a_100015525214_100000140223 [0,2,0,0,0,0|2,0,0]=4 9089 B12R1.71 C#Cc1ccc(cc1)CNCC 270004a_100015525214_100011361452 [0,2,0,0,0,0|2,0,0]=4 9090 B12R1.71 C#Cc1ccc(cc1)CNCC 34a_100015199678_100000210202 [0,2,0,0,0,0|2,0,0]=4 9091 B12R1.71 C#Cc1ccc(cc1)CNCF 34a_100015199678_100015361967 [0,2,0,0,0,0|2,0,0]=4 9092 B12R1.71 C#Cc1ccc(cc1)COCC 34a_100000054647_100000210202 [0,2,0,0,0,0|2,0,0]=4 9093 B12R1.71 C#Cc1ccc(cc1)COCC 34a_100121572206_100000140223 [0,2,0,0,0,0|2,0,0]=4 9094 B12R1.71 C#Cc1ccc(cc1)COCC 7a_100000054647_100000210202 [0,2,0,0,0,0|2,0,0]=4 9095 B12R1.71 C#Cc1ccc(cc1)COCF 34a_100000054647_100015361967 [0,2,0,0,0,0|2,0,0]=4 9096 B12R1.71 C#Cc1ccc(cc1)COCF 7a_100000054647_100015361967 [0,2,0,0,0,0|2,0,0]=4 9097 B12R1.71 C#Cc1ccc(cc1)CSCC 62a_100000210202_100000140223 [0,2,0,0,0,0|2,0,0]=4 9098 B12R1.71 C#Cc1ccc(cc1)CSCF 62a_100015361967_100000140223 [0,2,0,0,0,0|2,0,0]=4 9099 B12R1.71 C#Cc1ccc(cc1)NCCC 34a_100011215031_100000210303 [0,2,0,0,0,0|2,0,0]=4 9100 B12R1.71 C#Cc1ccc(cc1)NCCF 34a_100011215031_100011217306 [0,2,0,0,0,0|2,0,0]=4 9101 B12R1.71 C#Cc1ccc(cc1)NCCO 34a_100011215031_100000211926 [0,2,0,0,0,0|1,0,0]=3 9102 B12R1.71 C#Cc1ccc(nc1)OCCO 34a_200009884252_100000211926 [0,2,0,0,0,0|2,0,0]=4 9103 B12R1.71 C=Cc1ccc(cc1)C#CCO 271570a_100011290941_100009814260 [0,2,0,0,0,0|0,0,2]=4 9104 B12R1.71 C=Cc1ccc(cc1)CCC#N 271570a_100011290941_100011216407 [0,2,0,0,0,0|1,0,1]=4 9105 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|0,0,2]=4 9106 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [0,2,0,0,0,0|1,0,0]=3 9107 B12R1.71 C=Cc1ccc(cc1)CCCN 271570a_100011290941_100011297623 [0,2,0,0,0,0|1,0,0]=3 9108 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,2,0,0,0,0|0,0,0]=2 9109 B12R1.71 C=Cc1ccc(cc1)CCNC 2230a_106832991635_100000142037 [0,2,0,0,0,0|2,0,0]=4 9110 B12R1.71 C=Cc1ccc(cc1)CCNC 271570a_100011290941_100000752880 [0,2,0,0,0,0|2,0,0]=4 9111 B12R1.71 C=Cc1ccc(cc1)CCNC 34a_100102657272_100000142037 [0,2,0,0,0,0|2,0,0]=4 9112 B12R1.71 C=Cc1ccc(cc1)CCNC 7a_106832991635_100000142037 [0,2,0,0,0,0|2,0,0]=4 9113 B12R1.71 C=Cc1ccc(cc1)CCOC 271570a_100011290941_100000739703 [0,2,0,0,0,0|2,0,0]=4 9114 B12R1.71 C=Cc1ccc(cc1)CCOC 34a_100138415774_100000142037 [0,2,0,0,0,0|2,0,0]=4 9115 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_100000142037_200000210301 [0,2,0,0,0,0|2,0,0]=4 9116 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_200000210301_100000142037 [0,2,0,0,0,0|2,0,0]=4 9117 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_100000142037_200025704644 [0,2,0,0,0,0|2,0,0]=4 9118 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100000142037 [0,2,0,0,0,0|2,0,0]=4 9119 B12R1.71 C=Cc1ccc(cc1)CNCC 2230a_100015525214_100000034074 [0,2,0,0,0,0|2,0,0]=4 9120 B12R1.71 C=Cc1ccc(cc1)CNCC 270004a_100015525214_100011361436 [0,2,0,0,0,0|2,0,0]=4 9121 B12R1.71 C=Cc1ccc(cc1)CNCC 271570a_100011290941_100000187385 [0,2,0,0,0,0|2,0,0]=4 9122 B12R1.71 C=Cc1ccc(cc1)CNCC 34a_200011934891_100000210202 [0,2,0,0,0,0|2,0,0]=4 9123 B12R1.71 C=Cc1ccc(cc1)CNCF 34a_200011934891_100015361967 [0,2,0,0,0,0|2,0,0]=4 9124 B12R1.71 C=Cc1ccc(cc1)COCC 271570a_100011290941_100000758564 [0,2,0,0,0,0|2,0,0]=4 9125 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100000073583_100000210202 [0,2,0,0,0,0|2,0,0]=4 9126 B12R1.71 C=Cc1ccc(cc1)COCC 34a_100121572206_100000034074 [0,2,0,0,0,0|2,0,0]=4 9127 B12R1.71 C=Cc1ccc(cc1)COCC 7a_100000073583_100000210202 [0,2,0,0,0,0|2,0,0]=4 9128 B12R1.71 C=Cc1ccc(cc1)COCF 34a_100000073583_100015361967 [0,2,0,0,0,0|2,0,0]=4 9129 B12R1.71 C=Cc1ccc(cc1)COCF 7a_100000073583_100015361967 [0,2,0,0,0,0|2,0,0]=4 9130 B12R1.71 C=Cc1ccc(cc1)CSCC 62a_100000034074_100000210202 [0,2,0,0,0,0|2,0,0]=4 9131 B12R1.71 C=Cc1ccc(cc1)CSCC 62a_100000210202_100000034074 [0,2,0,0,0,0|2,0,0]=4 9132 B12R1.71 C=Cc1ccc(cc1)CSCF 62a_100000034074_100015361967 [0,2,0,0,0,0|2,0,0]=4 9133 B12R1.71 C=Cc1ccc(cc1)CSCF 62a_100015361967_100000034074 [0,2,0,0,0,0|2,0,0]=4 9134 B12R1.71 C=Cc1ccc(cc1)NCCC 34a_100011218248_100000210303 [0,2,0,0,0,0|2,0,0]=4 9135 B12R1.71 C=Cc1ccc(cc1)NCCF 34a_100011218248_100011217306 [0,2,0,0,0,0|2,0,0]=4 9136 B12R1.71 C=Cc1ccc(cc1)NCCO 34a_100011218248_100000211926 [0,2,0,0,0,0|1,0,0]=3 9137 B12R1.71 C=Cc1ccc(cc1)OCCC 271570a_100011290941_100000169948 [0,2,0,0,0,0|2,0,0]=4 9138 B12R1.71 C=Cc1ccc(cc1)OCCC 34a_100000189437_100000210303 [0,2,0,0,0,0|2,0,0]=4 9139 B12R1.71 C=Cc1ccc(cc1)OCCC 7a_100000189437_100000210303 [0,2,0,0,0,0|2,0,0]=4 9140 B12R1.71 C=Cc1ccc(cc1)OCCF 271570a_100011290941_100012347556 [0,2,0,0,0,0|2,0,0]=4 9141 B12R1.71 C=Cc1ccc(cc1)OCCF 34a_100000189437_100011217306 [0,2,0,0,0,0|2,0,0]=4 9142 B12R1.71 C=Cc1ccc(cc1)OCCF 7a_100000189437_100011217306 [0,2,0,0,0,0|2,0,0]=4 9143 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,2,0,0,0,0|2,0,0]=4 9144 B12R1.71 C=Cc1ccc(cc1)OCCO 271570a_100011290941_100000686261 [0,2,0,0,0,0|1,0,0]=3 9145 B12R1.71 C=Cc1ccc(cc1)OCCO 34a_100000189437_100000211926 [0,2,0,0,0,0|1,0,0]=3 9146 B12R1.71 C=Cc1ccc(cc1)OCCO 7a_100000189437_100000211926 [0,2,0,0,0,0|1,0,0]=3 9147 B12R1.71 C=Cc1ccc(cc1)SCCC 271570a_100011290941_200009811899 [0,2,0,0,0,0|2,0,0]=4 9148 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000210303_100000748128 [0,2,0,0,0,0|2,0,0]=4 9149 B12R1.71 C=Cc1ccc(cc1)SCCC 62a_100000748128_100000210303 [0,2,0,0,0,0|2,0,0]=4 9150 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100000748128_100011217306 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.71 C=Cc1ccc(cc1)SCCF 62a_100011217306_100000748128 [0,2,0,0,0,0|2,0,0]=4 9152 B12R1.71 C=Cc1ccc(cc1)SCCN 271570a_100011290941_100000184645 [0,2,0,0,0,0|2,0,0]=4 9153 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000211926_100000748128 [0,2,0,0,0,0|1,0,0]=3 9154 B12R1.71 C=Cc1ccc(cc1)SCCO 62a_100000748128_100000211926 [0,2,0,0,0,0|1,0,0]=3 9155 B12R1.71 C=Cc1ccc(cn1)OCCO 271570a_100011290941_200013150534 [0,2,0,0,0,0|2,0,0]=4 9156 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_100000211926_103436540071 [0,2,0,0,0,0|2,0,0]=4 9157 B12R1.71 C=Cc1ccc(nc1)SCCO 62a_103436540071_100000211926 [0,2,0,0,0,0|2,0,0]=4 9158 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [0,2,0,0,0,0|1,0,0]=3 9159 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,2,0,0,0,0|1,0,0]=3 9160 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,2,0,0,0,0|1,0,0]=3 9161 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,2,0,0,0,0|1,0,0]=3 9162 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,2,0,0,0,0|1,0,0]=3 9163 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,2,0,0,0,0|1,0,0]=3 9164 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,2,0,0,0,0|1,0,0]=3 9165 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,2,0,0,0,0|1,0,0]=3 9166 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,2,0,0,0,0|1,0,0]=3 9167 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [0,2,0,0,0,0|1,0,0]=3 9168 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,2,0,0,0,0|1,0,0]=3 9169 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,2,0,0,0,0|1,0,0]=3 9170 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,2,0,0,0,0|1,0,0]=3 9171 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,2,0,0,0,0|1,0,0]=3 9172 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,2,0,0,0,0|1,0,0]=3 9173 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,2,0,0,0,0|1,0,0]=3 9174 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,2,0,0,0,0|1,0,0]=3 9175 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,2,0,0,0,0|1,0,0]=3 9176 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,2,0,0,0,0|1,0,0]=3 9177 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,2,0,0,0,0|1,0,0]=3 9178 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,2,0,0,0,0|1,0,0]=3 9179 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,2,0,0,0,0|1,0,0]=3 9180 B12R1.71 CCCCc1ccc(cn1)C#N 271570a_100020621405_100000241038 [0,2,0,0,0,0|2,0,0]=4 9181 B12R1.71 CCCCc1ccc(cn1)C=O 271570a_100020621405_100000766901 [0,2,0,0,0,0|2,0,0]=4 9182 B12R1.71 CCCCc1ccc(cn1)CC 271570a_100020621405_100009843584 [0,2,0,0,0,0|2,0,0]=4 9183 B12R1.71 CCCCc1ccc(cn1)CN 271570a_100020621405_100009817727 [0,2,0,0,0,0|2,0,0]=4 9184 B12R1.71 CCCCc1ccc(cn1)CO 271570a_100020621405_100009816760 [0,2,0,0,0,0|2,0,0]=4 9185 B12R1.71 CCCCc1ccc(cn1)NC 271570a_100020621405_100000764248 [0,2,0,0,0,0|2,0,0]=4 9186 B12R1.71 CCCCc1ccc(cn1)NN 271570a_100020621405_100000119030 [0,2,0,0,0,0|2,0,0]=4 9187 B12R1.71 CCCCc1ccc(cn1)OC 271570a_100020621405_100000755202 [0,2,0,0,0,0|2,0,0]=4 9188 B12R1.71 CCCCc1ccc(cn1)SC 271570a_100020621405_100009820866 [0,2,0,0,0,0|2,0,0]=4 9189 B12R1.71 CCCCc1ccc(nc1)C#N 271570a_100020621405_100000760455 [0,2,0,0,0,0|2,0,0]=4 9190 B12R1.71 CCCCc1ccc(nc1)C=O 271570a_100020621405_100000754260 [0,2,0,0,0,0|2,0,0]=4 9191 B12R1.71 CCCCc1ccc(nc1)CC 271570a_100020621405_100009820025 [0,2,0,0,0,0|2,0,0]=4 9192 B12R1.71 CCCCc1ccc(nc1)CN 271570a_100020621405_100015188789 [0,2,0,0,0,0|2,0,0]=4 9193 B12R1.71 CCCCc1ccc(nc1)CO 271570a_100020621405_100000754261 [0,2,0,0,0,0|2,0,0]=4 9194 B12R1.71 CCCCc1ccc(nc1)NC 271570a_100020621405_100000741341 [0,2,0,0,0,0|2,0,0]=4 9195 B12R1.71 CCCCc1ccc(nc1)NN 271570a_100020621405_100000750576 [0,2,0,0,0,0|2,0,0]=4 9196 B12R1.71 CCCCc1ccc(nc1)OC 271570a_100020621405_100000047065 [0,2,0,0,0,0|2,0,0]=4 9197 B12R1.71 CCCCc1ccc(nc1)SC 271570a_100020621405_100011408404 [0,2,0,0,0,0|2,0,0]=4 9198 B12R1.71 CCCNc1ccc(cc1)C#N 34a_100000185469_100000210303 [0,2,0,0,0,0|2,0,0]=4 9199 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [0,2,0,0,0,0|2,0,0]=4 9200 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [0,2,0,0,0,0|2,0,0]=4 9201 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [0,2,0,0,0,0|2,0,0]=4 9202 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [0,2,0,0,0,0|2,0,0]=4 9203 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,2,0,0,0,0|2,0,0]=4 9204 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [0,2,0,0,0,0|2,0,0]=4 9205 B12R1.71 CCCOc1ccc(cc1)C#N 34a_100000210344_100000210303 [0,2,0,0,0,0|2,0,0]=4 9206 B12R1.71 CCCOc1ccc(cc1)C#N 7a_100000210344_100000210303 [0,2,0,0,0,0|2,0,0]=4 9207 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,2,0,0,0,0|2,0,0]=4 9208 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,2,0,0,0,0|2,0,0]=4 9209 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,2,0,0,0,0|2,0,0]=4 9210 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,2,0,0,0,0|2,0,0]=4 9211 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,2,0,0,0,0|2,0,0]=4 9212 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,2,0,0,0,0|2,0,0]=4 9213 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,2,0,0,0,0|2,0,0]=4 9214 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,2,0,0,0,0|2,0,0]=4 9215 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,2,0,0,0,0|2,0,0]=4 9216 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,2,0,0,0,0|2,0,0]=4 9217 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,2,0,0,0,0|2,0,0]=4 9218 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,2,0,0,0,0|2,0,0]=4 9219 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,2,0,0,0,0|2,0,0]=4 9220 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,2,0,0,0,0|2,0,0]=4 9221 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,2,0,0,0,0|2,0,0]=4 9222 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,2,0,0,0,0|2,0,0]=4 9223 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,2,0,0,0,0|2,0,0]=4 9224 B12R1.71 CCCSc1ccc(cc1)C#N 62a_100000210303_100000184291 [0,2,0,0,0,0|2,0,0]=4 9225 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000188517_100000210303 [0,2,0,0,0,0|2,0,0]=4 9226 B12R1.71 CCCSc1ccc(cc1)C=O 62a_100000210303_100000188517 [0,2,0,0,0,0|2,0,0]=4 9227 B12R1.71 CCCSc1ccc(cc1)CC 62a_100000210303_100011215824 [0,2,0,0,0,0|2,0,0]=4 9228 B12R1.71 CCCSc1ccc(cc1)CC 62a_100011215824_100000210303 [0,2,0,0,0,0|2,0,0]=4 9229 B12R1.71 CCCSc1ccc(cc1)CF 62a_100000210303_100010268989 [0,2,0,0,0,0|2,0,0]=4 9230 B12R1.71 CCCSc1ccc(cc1)CF 62a_100010268989_100000210303 [0,2,0,0,0,0|2,0,0]=4 9231 B12R1.71 CCCSc1ccc(cc1)CN 62a_100000210303_100016989417 [0,2,0,0,0,0|2,0,0]=4 9232 B12R1.71 CCCSc1ccc(cc1)CN 62a_100016989417_100000210303 [0,2,0,0,0,0|2,0,0]=4 9233 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [0,2,0,0,0,0|2,0,0]=4 9234 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [0,2,0,0,0,0|2,0,0]=4 9235 B12R1.71 CCCSc1ccc(cc1)NC 34a_100015183887_200000210301 [0,2,0,0,0,0|2,0,0]=4 9236 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000210303_100000743151 [0,2,0,0,0,0|2,0,0]=4 9237 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000743151_100000210303 [0,2,0,0,0,0|2,0,0]=4 9238 B12R1.71 CCCSc1ccc(cc1)NC 7a_100015183887_200000210301 [0,2,0,0,0,0|2,0,0]=4 9239 B12R1.71 CCCSc1ccc(cc1)NN 62a_100000210303_100016988836 [0,2,0,0,0,0|2,0,0]=4 9240 B12R1.71 CCCSc1ccc(cc1)NN 62a_100016988836_100000210303 [0,2,0,0,0,0|2,0,0]=4 9241 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 34a_100015183887_200025704644 [0,2,0,0,0,0|2,0,0]=4 9242 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 7a_100015183887_200025704644 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,2,0,0,0,0|2,0,0]=4 9244 B12R1.71 CCCSc1ccc(cc1)SC 62a_100000210303_100011263217 [0,2,0,0,0,0|2,0,0]=4 9245 B12R1.71 CCCSc1ccc(cc1)SC 62a_100011263217_100000210303 [0,2,0,0,0,0|2,0,0]=4 9246 B12R1.71 CCCSc1ccc(cc1)SC 62a_200000210301_200009811899 [0,2,0,0,0,0|2,0,0]=4 9247 B12R1.71 CCCSc1ccc(cc1)SC 62a_200009811899_200000210301 [0,2,0,0,0,0|2,0,0]=4 9248 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200009811899_200025704644 [0,2,0,0,0,0|2,0,0]=4 9249 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811899 [0,2,0,0,0,0|2,0,0]=4 9250 B12R1.71 CCNCc1ccc(cc1)C#N 207a_100015525214_100000211122 [0,2,0,0,0,0|2,0,0]=4 9251 B12R1.71 CCNCc1ccc(cc1)C#N 2230a_100015525214_100000184898 [0,2,0,0,0,0|2,0,0]=4 9252 B12R1.71 CCNCc1ccc(cc1)C#N 270004a_100015525214_100000211122 [0,2,0,0,0,0|2,0,0]=4 9253 B12R1.71 CCNCc1ccc(cc1)C#N 34a_100015207190_100000210202 [0,2,0,0,0,0|2,0,0]=4 9254 B12R1.71 CCNCc1ccc(cc1)C=O 2230a_100015525214_100009816848 [0,2,0,0,0,0|2,0,0]=4 9255 B12R1.71 CCNCc1ccc(cc1)CC 207a_100015525214_100000211036 [0,2,0,0,0,0|2,0,0]=4 9256 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100000721222_100000210202 [0,2,0,0,0,0|2,0,0]=4 9257 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100015525214_100000747183 [0,2,0,0,0,0|2,0,0]=4 9258 B12R1.71 CCNCc1ccc(cc1)CC 270004a_100015525214_100000211036 [0,2,0,0,0,0|2,0,0]=4 9259 B12R1.71 CCNCc1ccc(cc1)CC 34a_100000721222_100000210202 [0,2,0,0,0,0|2,0,0]=4 9260 B12R1.71 CCNCc1ccc(cc1)CO 207a_100015525214_100009832023 [0,2,0,0,0,0|2,0,0]=4 9261 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015189231_100000210202 [0,2,0,0,0,0|2,0,0]=4 9262 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015525214_100000067286 [0,2,0,0,0,0|2,0,0]=4 9263 B12R1.71 CCNCc1ccc(cc1)CO 270004a_100015525214_100009832023 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.71 CCNCc1ccc(cc1)CO 34a_100015189231_100000210202 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,2,0,0,0,0|2,0,0]=4 9269 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,2,0,0,0,0|2,0,0]=4 9270 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,2,0,0,0,0|2,0,0]=4 9271 B12R1.71 CCNCc1ccc(cc1)SC 207a_100015525214_100000211154 [0,2,0,0,0,0|2,0,0]=4 9272 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100000174980_100000210202 [0,2,0,0,0,0|2,0,0]=4 9273 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100015525214_100000181263 [0,2,0,0,0,0|2,0,0]=4 9274 B12R1.71 CCNCc1ccc(cc1)SC 270004a_100015525214_100000211154 [0,2,0,0,0,0|2,0,0]=4 9275 B12R1.71 CCNCc1ccc(cc1)SC 34a_100000174980_100000210202 [0,2,0,0,0,0|2,0,0]=4 9276 B12R1.71 CCNCc1ccc(cc1)SC 62a_100000187385_200000210301 [0,2,0,0,0,0|2,0,0]=4 9277 B12R1.71 CCNCc1ccc(cc1)SC 62a_200000210301_100000187385 [0,2,0,0,0,0|2,0,0]=4 9278 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_100000187385_200025704644 [0,2,0,0,0,0|2,0,0]=4 9279 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000187385 [0,2,0,0,0,0|2,0,0]=4 9280 B12R1.71 CCOCc1ccc(cc1)C#N 34a_100000238739_100000210202 [0,2,0,0,0,0|2,0,0]=4 9281 B12R1.71 CCOCc1ccc(cc1)C#N 34a_100121572206_100000184898 [0,2,0,0,0,0|2,0,0]=4 9282 B12R1.71 CCOCc1ccc(cc1)C#N 7a_100000238739_100000210202 [0,2,0,0,0,0|2,0,0]=4 9283 B12R1.71 CCOCc1ccc(cc1)C=O 34a_100121572206_100009816848 [0,2,0,0,0,0|2,0,0]=4 9284 B12R1.71 CCOCc1ccc(cc1)CBr 34a_100012353999_100000210202 [0,2,0,0,0,0|2,0,0]=4 9285 B12R1.71 CCOCc1ccc(cc1)CBr 7a_100012353999_100000210202 [0,2,0,0,0,0|2,0,0]=4 9286 B12R1.71 CCOCc1ccc(cc1)CC 34a_100000702245_100000210202 [0,2,0,0,0,0|2,0,0]=4 9287 B12R1.71 CCOCc1ccc(cc1)CC 34a_100121572206_100000747183 [0,2,0,0,0,0|2,0,0]=4 9288 B12R1.71 CCOCc1ccc(cc1)CC 7a_100000702245_100000210202 [0,2,0,0,0,0|2,0,0]=4 9289 B12R1.71 CCOCc1ccc(cc1)CCl 34a_100000067286_100000210202 [0,2,0,0,0,0|2,0,0]=4 9290 B12R1.71 CCOCc1ccc(cc1)CCl 7a_100000067286_100000210202 [0,2,0,0,0,0|2,0,0]=4 9291 B12R1.71 CCOCc1ccc(cc1)CN 34a_100015189231_100000210202 [0,2,0,0,0,0|2,0,0]=4 9292 B12R1.71 CCOCc1ccc(cc1)CO 34a_100121572206_100000067286 [0,2,0,0,0,0|2,0,0]=4 9293 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [0,2,0,0,0,0|2,0,0]=4 9294 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [0,2,0,0,0,0|2,0,0]=4 9295 B12R1.71 CCOCc1ccc(cc1)SC 34a_100011215404_100000210202 [0,2,0,0,0,0|2,0,0]=4 9296 B12R1.71 CCOCc1ccc(cc1)SC 34a_100121572206_100000181263 [0,2,0,0,0,0|2,0,0]=4 9297 B12R1.71 CCOCc1ccc(cc1)SC 62a_100000758564_200000210301 [0,2,0,0,0,0|2,0,0]=4 9298 B12R1.71 CCOCc1ccc(cc1)SC 62a_200000210301_100000758564 [0,2,0,0,0,0|2,0,0]=4 9299 B12R1.71 CCOCc1ccc(cc1)SC 7a_100011215404_100000210202 [0,2,0,0,0,0|2,0,0]=4 9300 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_100000758564_200025704644 [0,2,0,0,0,0|2,0,0]=4 9301 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758564 [0,2,0,0,0,0|2,0,0]=4 9302 B12R1.71 CCSCc1ccc(cc1)C#N 62a_100000210202_100000184898 [0,2,0,0,0,0|2,0,0]=4 9303 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100000210202_100009816848 [0,2,0,0,0,0|2,0,0]=4 9304 B12R1.71 CCSCc1ccc(cc1)C=O 62a_100009816848_100000210202 [0,2,0,0,0,0|2,0,0]=4 9305 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000210202_100000747183 [0,2,0,0,0,0|2,0,0]=4 9306 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000757233_100000210202 [0,2,0,0,0,0|2,0,0]=4 9307 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000067286_100000210202 [0,2,0,0,0,0|2,0,0]=4 9308 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000210202_100000067286 [0,2,0,0,0,0|2,0,0]=4 9309 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [0,2,0,0,0,0|2,0,0]=4 9310 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000181263_100000210202 [0,2,0,0,0,0|2,0,0]=4 9311 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000210202_100000181263 [0,2,0,0,0,0|2,0,0]=4 9312 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [0,2,0,0,0,0|2,0,0]=4 9313 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [0,2,0,0,0,0|2,0,0]=4 9314 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [0,2,0,0,0,0|2,0,0]=4 9315 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [0,2,0,0,0,0|2,0,0]=4 9316 B12R1.71 CCc1ccc(cc1)CNCF 34a_100000721222_100015361967 [0,2,0,0,0,0|2,0,0]=4 9317 B12R1.71 CCc1ccc(cc1)COCF 34a_100000702245_100015361967 [0,2,0,0,0,0|2,0,0]=4 9318 B12R1.71 CCc1ccc(cc1)COCF 7a_100000702245_100015361967 [0,2,0,0,0,0|2,0,0]=4 9319 B12R1.71 CCc1ccc(cc1)CSCF 62a_100000757233_100015361967 [0,2,0,0,0,0|2,0,0]=4 9320 B12R1.71 CCc1ccc(cc1)CSCF 62a_100015361967_100000747183 [0,2,0,0,0,0|2,0,0]=4 9321 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [0,2,0,0,0,0|2,0,0]=4 9322 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [0,2,0,0,0,0|2,0,0]=4 9323 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [0,2,0,0,0,0|1,0,0]=3 9324 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [0,2,0,0,0,0|1,0,0]=3 9325 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,2,0,0,0,0|2,0,0]=4 9326 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,2,0,0,0,0|2,0,0]=4 9327 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,2,0,0,0,0|1,0,0]=3 9328 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,2,0,0,0,0|1,0,0]=3 9329 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011215824_100011217306 [0,2,0,0,0,0|2,0,0]=4 9330 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011217306_100011215824 [0,2,0,0,0,0|2,0,0]=4 9331 B12R1.71 CCc1ccc(cc1)SCCO 62a_100000211926_100011215824 [0,2,0,0,0,0|1,0,0]=3 9332 B12R1.71 CCc1ccc(cc1)SCCO 62a_100011215824_100000211926 [0,2,0,0,0,0|1,0,0]=3 9333 B12R1.71 CCc1ccc(cn1)SCCO 62a_100000211926_100009820025 [0,2,0,0,0,0|2,0,0]=4 9334 B12R1.71 CCc1ccc(cn1)SCCO 62a_100009820025_100000211926 [0,2,0,0,0,0|2,0,0]=4 9335 B12R1.71 CCc1ccc(nc1)SCCO 62a_100000211926_100009843584 [0,2,0,0,0,0|2,0,0]=4 9336 B12R1.71 CCc1ccc(nc1)SCCO 62a_100009843584_100000211926 [0,2,0,0,0,0|2,0,0]=4 9337 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_100015189369_200000210301 [0,2,0,0,0,0|2,0,0]=4 9338 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_106832991635_100012161189 [0,2,0,0,0,0|2,0,0]=4 9339 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100015189369_200000210301 [0,2,0,0,0,0|2,0,0]=4 9340 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100102657272_100012161189 [0,2,0,0,0,0|2,0,0]=4 9341 B12R1.71 CNCCc1ccc(cc1)C#N 7a_106832991635_100012161189 [0,2,0,0,0,0|2,0,0]=4 9342 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,2,0,0,0,0|2,0,0]=4 9343 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,2,0,0,0,0|2,0,0]=4 9344 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,2,0,0,0,0|2,0,0]=4 9345 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,2,0,0,0,0|2,0,0]=4 9346 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,2,0,0,0,0|2,0,0]=4 9347 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,2,0,0,0,0|2,0,0]=4 9348 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,2,0,0,0,0|2,0,0]=4 9349 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,2,0,0,0,0|2,0,0]=4 9350 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [0,2,0,0,0,0|2,0,0]=4 9351 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [0,2,0,0,0,0|2,0,0]=4 9352 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [0,2,0,0,0,0|2,0,0]=4 9353 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [0,2,0,0,0,0|2,0,0]=4 9354 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 9355 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 9356 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 9357 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,2,0,0,0,0|2,0,0]=4 9358 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,2,0,0,0,0|2,0,0]=4 9359 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,2,0,0,0,0|1,0,0]=3 9360 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,2,0,0,0,0|1,0,0]=3 9361 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,2,0,0,0,0|1,0,0]=3 9362 B12R1.71 CNc1ccc(cc1)SCCF 62a_100000743151_100011217306 [0,2,0,0,0,0|2,0,0]=4 9363 B12R1.71 CNc1ccc(cc1)SCCF 62a_100011217306_100000743151 [0,2,0,0,0,0|2,0,0]=4 9364 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000211926_100000743151 [0,2,0,0,0,0|1,0,0]=3 9365 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000743151_100000211926 [0,2,0,0,0,0|1,0,0]=3 9366 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000211926_100000741341 [0,2,0,0,0,0|2,0,0]=4 9367 B12R1.71 CNc1ccc(cn1)SCCO 62a_100000741341_100000211926 [0,2,0,0,0,0|2,0,0]=4 9368 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000211926_100000764248 [0,2,0,0,0,0|2,0,0]=4 9369 B12R1.71 CNc1ccc(nc1)SCCO 62a_100000764248_100000211926 [0,2,0,0,0,0|2,0,0]=4 9370 B12R1.71 COCCc1ccc(cc1)C#N 34a_100011219507_200000210301 [0,2,0,0,0,0|2,0,0]=4 9371 B12R1.71 COCCc1ccc(cc1)C#N 34a_100138415774_100012161189 [0,2,0,0,0,0|2,0,0]=4 9372 B12R1.71 COCCc1ccc(cc1)C#N 7a_100011219507_200000210301 [0,2,0,0,0,0|2,0,0]=4 9373 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 9374 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 9375 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,2,0,0,0,0|2,0,0]=4 9376 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 9377 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 9378 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 9379 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 9380 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [0,2,0,0,0,0|2,0,0]=4 9381 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [0,2,0,0,0,0|2,0,0]=4 9382 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [0,2,0,0,0,0|2,0,0]=4 9383 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [0,2,0,0,0,0|2,0,0]=4 9384 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,2,0,0,0,0|1,0,1]=4 9385 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,2,0,0,0,0|1,0,1]=4 9386 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,2,0,0,0,0|0,0,0]=2 9387 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,2,0,0,0,0|0,0,0]=2 9388 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,2,0,0,0,0|2,0,0]=4 9389 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,2,0,0,0,0|2,0,0]=4 9390 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 9391 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 9392 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,2,0,0,0,0|2,0,0]=4 9393 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,2,0,0,0,0|2,0,0]=4 9394 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,2,0,0,0,0|2,0,0]=4 9395 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,2,0,0,0,0|2,0,0]=4 9396 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,2,0,0,0,0|2,0,0]=4 9397 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [0,2,0,0,0,0|2,0,0]=4 9398 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [0,2,0,0,0,0|2,0,0]=4 9399 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,2,0,0,0,0|2,0,0]=4 9400 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,2,0,0,0,0|1,0,0]=3 9401 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,2,0,0,0,0|2,0,0]=4 9402 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,2,0,0,0,0|1,0,0]=3 9403 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,2,0,0,0,0|2,0,0]=4 9404 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,2,0,0,0,0|1,0,0]=3 9405 B12R1.71 COc1ccc(cn1)OCCO 34a_100011934560_100000211926 [0,2,0,0,0,0|2,0,0]=4 9406 B12R1.71 COc1ccc(cn1)SCCO 62a_100000047065_100000211926 [0,2,0,0,0,0|2,0,0]=4 9407 B12R1.71 COc1ccc(cn1)SCCO 62a_100000211926_100000047065 [0,2,0,0,0,0|2,0,0]=4 9408 B12R1.71 COc1ccc(nc1)OCCO 34a_100012002028_100000211926 [0,2,0,0,0,0|2,0,0]=4 9409 B12R1.71 COc1ccc(nc1)SCCO 62a_100000211926_100000744180 [0,2,0,0,0,0|2,0,0]=4 9410 B12R1.71 COc1ccc(nc1)SCCO 62a_100000755202_100000211926 [0,2,0,0,0,0|2,0,0]=4 9411 B12R1.71 CSCCc1ccc(cc1)C#N 62a_200000210301_100012161189 [0,2,0,0,0,0|2,0,0]=4 9412 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 9413 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 9414 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 9415 B12R1.71 CSc1ccc(cc1)C#CCO 62a_200000210301_100009814260 [0,2,0,0,0,0|0,0,2]=4 9416 B12R1.71 CSc1ccc(cc1)CCC#N 62a_100011216407_200000210301 [0,2,0,0,0,0|1,0,1]=4 9417 B12R1.71 CSc1ccc(cc1)CCC#N 62a_200000210301_100011216407 [0,2,0,0,0,0|1,0,1]=4 9418 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|0,0,2]=4 9419 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|0,0,2]=4 9420 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 9421 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,2,0,0,0,0|1,0,0]=3 9422 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,2,0,0,0,0|0,0,0]=2 9423 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,2,0,0,0,0|0,0,0]=2 9424 B12R1.71 CSc1ccc(cc1)CNCF 34a_100000174980_100015361967 [0,2,0,0,0,0|2,0,0]=4 9425 B12R1.71 CSc1ccc(cc1)COCF 34a_100011215404_100015361967 [0,2,0,0,0,0|2,0,0]=4 9426 B12R1.71 CSc1ccc(cc1)COCF 7a_100011215404_100015361967 [0,2,0,0,0,0|2,0,0]=4 9427 B12R1.71 CSc1ccc(cc1)CSCF 62a_100000181263_100015361967 [0,2,0,0,0,0|2,0,0]=4 9428 B12R1.71 CSc1ccc(cc1)CSCF 62a_100015361967_100000181263 [0,2,0,0,0,0|2,0,0]=4 9429 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [0,2,0,0,0,0|2,0,0]=4 9430 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [0,2,0,0,0,0|1,0,0]=3 9431 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,2,0,0,0,0|2,0,0]=4 9432 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,2,0,0,0,0|2,0,0]=4 9433 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,2,0,0,0,0|2,0,0]=4 9434 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,2,0,0,0,0|2,0,0]=4 9435 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,2,0,0,0,0|2,0,0]=4 9436 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,2,0,0,0,0|1,0,0]=3 9437 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,2,0,0,0,0|1,0,0]=3 9438 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,2,0,0,0,0|1,0,0]=3 9439 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011217306_100011263217 [0,2,0,0,0,0|2,0,0]=4 9440 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011263217_100011217306 [0,2,0,0,0,0|2,0,0]=4 9441 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,2,0,0,0,0|2,0,0]=4 9442 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,2,0,0,0,0|2,0,0]=4 9443 B12R1.71 CSc1ccc(cc1)SCCO 62a_100000211926_100011263217 [0,2,0,0,0,0|1,0,0]=3 9444 B12R1.71 CSc1ccc(cc1)SCCO 62a_100011263217_100000211926 [0,2,0,0,0,0|1,0,0]=3 9445 B12R1.71 CSc1ccc(cn1)OCCO 62a_200000210301_200013150534 [0,2,0,0,0,0|2,0,0]=4 9446 B12R1.71 CSc1ccc(cn1)OCCO 62a_200013150534_200000210301 [0,2,0,0,0,0|2,0,0]=4 9447 B12R1.71 CSc1ccc(cn1)SCCO 62a_100000211926_100011408404 [0,2,0,0,0,0|2,0,0]=4 9448 B12R1.71 CSc1ccc(cn1)SCCO 62a_100011408404_100000211926 [0,2,0,0,0,0|2,0,0]=4 9449 B12R1.71 CSc1ccc(nc1)NCCO 27a_100000210304_100009820866 [0,2,0,0,0,0|2,0,0]=4 9450 B12R1.71 CSc1ccc(nc1)SCCO 62a_100000211926_100009820866 [0,2,0,0,0,0|2,0,0]=4 9451 B12R1.71 CSc1ccc(nc1)SCCO 62a_100009820866_100000211926 [0,2,0,0,0,0|2,0,0]=4 9452 B12R1.71 FCCSc1ccc(cc1)CF 62a_100010268989_100011217306 [0,2,0,0,0,0|2,0,0]=4 9453 B12R1.71 FCCSc1ccc(cc1)CF 62a_100011217306_100010268989 [0,2,0,0,0,0|2,0,0]=4 9454 B12R1.71 FCOCc1ccc(cc1)CBr 34a_100012353999_100015361967 [0,2,0,0,0,0|2,0,0]=4 9455 B12R1.71 FCOCc1ccc(cc1)CBr 7a_100012353999_100015361967 [0,2,0,0,0,0|2,0,0]=4 9456 B12R1.71 FCOCc1ccc(cc1)CCl 34a_100000067286_100015361967 [0,2,0,0,0,0|2,0,0]=4 9457 B12R1.71 FCOCc1ccc(cc1)CCl 7a_100000067286_100015361967 [0,2,0,0,0,0|2,0,0]=4 9458 B12R1.71 N#Cc1ccc(cc1)CNCF 34a_100015207190_100015361967 [0,2,0,0,0,0|2,0,0]=4 9459 B12R1.71 N#Cc1ccc(cc1)COCF 34a_100000238739_100015361967 [0,2,0,0,0,0|2,0,0]=4 9460 B12R1.71 N#Cc1ccc(cc1)COCF 7a_100000238739_100015361967 [0,2,0,0,0,0|2,0,0]=4 9461 B12R1.71 N#Cc1ccc(cc1)CSCF 62a_100015361967_100000184898 [0,2,0,0,0,0|2,0,0]=4 9462 B12R1.71 N#Cc1ccc(cc1)NCCF 34a_100000185469_100011217306 [0,2,0,0,0,0|2,0,0]=4 9463 B12R1.71 N#Cc1ccc(cc1)NCCO 34a_100000185469_100000211926 [0,2,0,0,0,0|1,0,0]=3 9464 B12R1.71 N#Cc1ccc(cc1)OCCF 34a_100000210344_100011217306 [0,2,0,0,0,0|2,0,0]=4 9465 B12R1.71 N#Cc1ccc(cc1)OCCF 7a_100000210344_100011217306 [0,2,0,0,0,0|2,0,0]=4 9466 B12R1.71 N#Cc1ccc(cc1)OCCO 34a_100000210344_100000211926 [0,2,0,0,0,0|1,0,0]=3 9467 B12R1.71 N#Cc1ccc(cc1)OCCO 7a_100000210344_100000211926 [0,2,0,0,0,0|1,0,0]=3 9468 B12R1.71 N#Cc1ccc(cc1)SCCF 62a_100011217306_100000184291 [0,2,0,0,0,0|2,0,0]=4 9469 B12R1.71 N#Cc1ccc(cc1)SCCO 62a_100000211926_100000184291 [0,2,0,0,0,0|1,0,0]=3 9470 B12R1.71 N#Cc1ccc(cn1)OCCO 34a_100011934750_100000211926 [0,2,0,0,0,0|2,0,0]=4 9471 B12R1.71 N#Cc1ccc(cn1)OCCO 7a_100011934750_100000211926 [0,2,0,0,0,0|2,0,0]=4 9472 B12R1.71 N#Cc1ccc(cn1)SCCO 62a_100000211926_100000760455 [0,2,0,0,0,0|2,0,0]=4 9473 B12R1.71 N#Cc1ccc(nc1)NCCO 27a_100000210304_100000241038 [0,2,0,0,0,0|2,0,0]=4 9474 B12R1.71 N#Cc1ccc(nc1)SCCO 62a_100000211926_100000241038 [0,2,0,0,0,0|2,0,0]=4 9475 B12R1.71 NCc1ccc(cc1)COCF 34a_100015189231_100015361967 [0,2,0,0,0,0|2,0,0]=4 9476 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|2,0,0]=4 9477 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,2,0,0,0,0|1,0,0]=3 9478 B12R1.71 NCc1ccc(cc1)SCCF 62a_100011217306_100016989417 [0,2,0,0,0,0|2,0,0]=4 9479 B12R1.71 NCc1ccc(cc1)SCCF 62a_100016989417_100011217306 [0,2,0,0,0,0|2,0,0]=4 9480 B12R1.71 NCc1ccc(cc1)SCCO 62a_100000211926_100016989417 [0,2,0,0,0,0|1,0,0]=3 9481 B12R1.71 NCc1ccc(cc1)SCCO 62a_100016989417_100000211926 [0,2,0,0,0,0|1,0,0]=3 9482 B12R1.71 NCc1ccc(cn1)OCCO 34a_100020605196_100000211926 [0,2,0,0,0,0|2,0,0]=4 9483 B12R1.71 NCc1ccc(cn1)SCCO 62a_100000211926_100015188789 [0,2,0,0,0,0|2,0,0]=4 9484 B12R1.71 NCc1ccc(cn1)SCCO 62a_100015188789_100000211926 [0,2,0,0,0,0|2,0,0]=4 9485 B12R1.71 NCc1ccc(nc1)OCCO 34a_100000757128_100000211926 [0,2,0,0,0,0|2,0,0]=4 9486 B12R1.71 NCc1ccc(nc1)SCCO 62a_100000211926_100000735879 [0,2,0,0,0,0|2,0,0]=4 9487 B12R1.71 NCc1ccc(nc1)SCCO 62a_100000735879_100000211926 [0,2,0,0,0,0|2,0,0]=4 9488 B12R1.71 NNc1ccc(cc1)SCCF 62a_100011217306_100016988836 [0,2,0,0,0,0|2,0,0]=4 9489 B12R1.71 NNc1ccc(cc1)SCCF 62a_100016988836_100011217306 [0,2,0,0,0,0|2,0,0]=4 9490 B12R1.71 NNc1ccc(cc1)SCCO 62a_100000211926_100016988836 [0,2,0,0,0,0|1,0,0]=3 9491 B12R1.71 NNc1ccc(cc1)SCCO 62a_100016988836_100000211926 [0,2,0,0,0,0|1,0,0]=3 9492 B12R1.71 NNc1ccc(cn1)SCCO 62a_100000211926_100000750576 [0,2,0,0,0,0|2,0,0]=4 9493 B12R1.71 NNc1ccc(cn1)SCCO 62a_100000750576_100000211926 [0,2,0,0,0,0|2,0,0]=4 9494 B12R1.71 NNc1ccc(nc1)SCCO 62a_100000211926_100000119030 [0,2,0,0,0,0|2,0,0]=4 9495 B12R1.71 NNc1ccc(nc1)SCCO 62a_100000755011_100000211926 [0,2,0,0,0,0|2,0,0]=4 9496 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100009816848_100015361967 [0,2,0,0,0,0|2,0,0]=4 9497 B12R1.71 O=Cc1ccc(cc1)CSCF 62a_100015361967_100009816848 [0,2,0,0,0,0|2,0,0]=4 9498 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100000188517_100011217306 [0,2,0,0,0,0|2,0,0]=4 9499 B12R1.71 O=Cc1ccc(cc1)SCCF 62a_100011217306_100000188517 [0,2,0,0,0,0|2,0,0]=4 9500 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000188517_100000211926 [0,2,0,0,0,0|1,0,0]=3 9501 B12R1.71 O=Cc1ccc(cc1)SCCO 62a_100000211926_100000188517 [0,2,0,0,0,0|1,0,0]=3 9502 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000211926_100000754260 [0,2,0,0,0,0|2,0,0]=4 9503 B12R1.71 O=Cc1ccc(cn1)SCCO 62a_100000754260_100000211926 [0,2,0,0,0,0|2,0,0]=4 9504 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000211926_100000766901 [0,2,0,0,0,0|2,0,0]=4 9505 B12R1.71 O=Cc1ccc(nc1)SCCO 62a_100000766901_100000211926 [0,2,0,0,0,0|2,0,0]=4 9506 B12R1.71 OCCNc1ccc(cc1)CO 2230a_100011215238_100000211926 [0,2,0,0,0,0|1,0,0]=3 9507 B12R1.71 OCCNc1ccc(cc1)CO 34a_100011215238_100000211926 [0,2,0,0,0,0|1,0,0]=3 9508 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,2,0,0,0,0|1,0,0]=3 9509 B12R1.71 OCCOc1ccc(nc1)CO 34a_103436540053_100000211926 [0,2,0,0,0,0|2,0,0]=4 9510 B12R1.71 OCCSc1ccc(cc1)CF 62a_100000211926_100010268989 [0,2,0,0,0,0|1,0,0]=3 9511 B12R1.71 OCCSc1ccc(cc1)CF 62a_100010268989_100000211926 [0,2,0,0,0,0|1,0,0]=3 9512 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000211926_100000690907 [0,2,0,0,0,0|1,0,0]=3 9513 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000690907_100000211926 [0,2,0,0,0,0|1,0,0]=3 9514 B12R1.71 OCCSc1ccc(cn1)CO 62a_100000211926_100009816760 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.71 OCCSc1ccc(cn1)CO 62a_100009816760_100000211926 [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.71 OCCSc1ccc(nc1)CO 62a_100000211926_100000754261 [0,2,0,0,0,0|2,0,0]=4 9517 B12R1.71 OCCSc1ccc(nc1)CO 62a_100000754261_100000211926 [0,2,0,0,0,0|2,0,0]=4 9518 B12R1.71 OCc1ccc(cc1)CNCF 34a_100015189231_100015361967 [0,2,0,0,0,0|2,0,0]=4 9519 B12R1.71 OCc1ccc(cc1)CSCF 62a_100000067286_100015361967 [0,2,0,0,0,0|2,0,0]=4 9520 B12R1.71 OCc1ccc(cc1)CSCF 62a_100015361967_100000067286 [0,2,0,0,0,0|2,0,0]=4 9521 B12R1.71 OCc1ccc(cc1)NCCF 2230a_100011215238_100011217306 [0,2,0,0,0,0|2,0,0]=4 9522 B12R1.71 OCc1ccc(cc1)NCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|2,0,0]=4 9523 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,2,0,0,0,0|2,0,0]=4 9524 B12R1.71 OCc1ccc(cc1)SCCF 62a_100000690907_100011217306 [0,2,0,0,0,0|2,0,0]=4 9525 B12R1.71 OCc1ccc(cc1)SCCF 62a_100011217306_100000690907 [0,2,0,0,0,0|2,0,0]=4 9526 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 2230a_100015189369_200025704644 [0,2,0,0,0,0|2,0,0]=4 9527 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 34a_100015189369_200025704644 [0,2,0,0,0,0|2,0,0]=4 9528 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,2,0,0,0,0|2,0,0]=4 9529 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,2,0,0,0,0|1,0,0]=3 9530 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,2,0,0,0,0|1,0,0]=3 9531 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 34a_100011219507_200025704644 [0,2,0,0,0,0|2,0,0]=4 9532 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 7a_100011219507_200025704644 [0,2,0,0,0,0|2,0,0]=4 9533 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,2,0,0,0,0|1,0,1]=4 9534 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,2,0,0,0,0|1,0,1]=4 9535 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,2,0,0,0,0|0,0,0]=2 9536 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,2,0,0,0,0|0,0,0]=2 9537 B12R1.71 [13CH3]SCCc1ccc(cc1)C#N 62a_200025704644_100012161189 [0,2,0,0,0,0|2,0,0]=4 9538 B12R1.71 [13CH3]Sc1ccc(cc1)C#CCO 62a_200025704644_100009814260 [0,2,0,0,0,0|0,0,2]=4 9539 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_100011216407_200025704644 [0,2,0,0,0,0|1,0,1]=4 9540 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_200025704644_100011216407 [0,2,0,0,0,0|1,0,1]=4 9541 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|0,0,2]=4 9542 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|0,0,2]=4 9543 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 9544 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,2,0,0,0,0|1,0,0]=3 9545 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,2,0,0,0,0|0,0,0]=2 9546 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,2,0,0,0,0|0,0,0]=2 9547 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,2,0,0,0,0|2,0,0]=4 9548 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,2,0,0,0,0|2,0,0]=4 9549 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,2,0,0,0,0|2,0,0]=4 9550 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,2,0,0,0,0|1,0,0]=3 9552 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,2,0,0,0,0|1,0,0]=3 9553 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200013150534_200025704644 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.71 [13CH3]Sc1ccc(cn1)OCCO 62a_200025704644_200013150534 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.385 CCCCc1c[nH]c(=O)c(c1)Br 271570a_100020621405_100010125443 [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.385 CCCCc1c[nH]c(=O)c(c1)F 271570a_100020621405_100000723523 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.385 CCCCc1c[nH]c(=O)c(c1)O 271570a_100020621405_100009814561 [0,2,0,0,0,0|2,0,0]=4 9560 B12R1.385 CCCCc1cc(c(cn1)Br)C 271570a_100020621405_100012356354 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.385 CCCCc1cc(c(cn1)C)C 271570a_100020621405_100009850809 [0,2,0,0,0,0|2,0,0]=4 9562 B12R1.385 CCCCc1cc(c(cn1)C)F 271570a_100020621405_100009841206 [0,2,0,0,0,0|2,0,0]=4 9563 B12R1.385 CCCCc1cc(c(cn1)C)N 271570a_100020621405_100000690170 [0,2,0,0,0,0|2,0,0]=4 9564 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [0,2,0,0,0,0|2,0,0]=4 9565 B12R1.385 CCCCc1cc(c(cn1)F)C 271570a_100020621405_100009818257 [0,2,0,0,0,0|2,0,0]=4 9566 B12R1.385 CCCCc1cc(c(cn1)F)N 271570a_100020621405_100000126464 [0,2,0,0,0,0|2,0,0]=4 9567 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [0,2,0,0,0,0|2,0,0]=4 9568 B12R1.385 CCCCc1cc(c(cn1)N)C 271570a_100020621405_100000765520 [0,2,0,0,0,0|2,0,0]=4 9569 B12R1.385 CCCCc1cc(c(cn1)N)N 271570a_100020621405_100000067514 [0,2,0,0,0,0|2,0,0]=4 9570 B12R1.385 CCCCc1cc(c(cn1)O)C 271570a_100020621405_100000692680 [0,2,0,0,0,0|2,0,0]=4 9571 B12R1.385 CCCCc1cc(c(cn1)O)N 271570a_100020621405_100009819941 [0,2,0,0,0,0|2,0,0]=4 9572 B12R1.385 CCCCc1ccc(=O)n(c1)C 271570a_100020621405_100011245003 [0,2,0,0,0,0|2,0,0]=4 9573 B12R1.385 CCCCc1ccc([n+](c1)[O-])C 271570a_100020621405_100000703231 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.385 CCCCc1ccc(c(=S)[nH]1)N 271570a_100020621405_100116329207 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [0,2,0,0,0,0|1,0,0]=3 9576 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [0,2,0,0,0,0|1,0,0]=3 9577 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [0,2,0,0,0,0|1,0,0]=3 9578 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [0,2,0,0,0,0|1,0,0]=3 9579 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [0,2,0,0,0,0|1,0,0]=3 9580 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [0,2,0,0,0,0|1,0,0]=3 9581 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [0,2,0,0,0,0|1,0,0]=3 9582 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [0,2,0,0,0,0|1,0,0]=3 9583 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [0,2,0,0,0,0|1,0,0]=3 9584 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [0,2,0,0,0,0|1,0,0]=3 9585 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [0,2,0,0,0,0|1,0,0]=3 9586 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [0,2,0,0,0,0|1,0,0]=3 9587 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [0,2,0,0,0,0|1,0,0]=3 9588 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [0,2,0,0,0,0|1,0,0]=3 9589 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [0,2,0,0,0,0|1,0,0]=3 9590 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [0,2,0,0,0,0|1,0,0]=3 9591 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [0,2,0,0,0,0|1,0,0]=3 9592 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [0,2,0,0,0,0|1,0,0]=3 9593 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [0,2,0,0,0,0|1,0,0]=3 9594 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [0,2,0,0,0,0|1,0,0]=3 9595 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [0,2,0,0,0,0|1,0,0]=3 9596 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [0,2,0,0,0,0|1,0,0]=3 9597 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [0,2,0,0,0,0|1,0,0]=3 9598 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [0,2,0,0,0,0|1,0,0]=3 9599 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [0,2,0,0,0,0|1,0,0]=3 9600 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [0,2,0,0,0,0|1,0,0]=3 9601 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [0,2,0,0,0,0|1,0,0]=3 9602 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [0,2,0,0,0,0|1,0,0]=3 9603 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [0,2,0,0,0,0|1,0,0]=3 9604 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [0,2,0,0,0,0|1,0,0]=3 9605 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [0,2,0,0,0,0|1,0,0]=3 9606 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,2,0,0,0,0|1,0,0]=3 9607 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [0,2,0,0,0,0|1,0,0]=3 9608 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [0,2,0,0,0,0|1,0,0]=3 9609 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [0,2,0,0,0,0|1,0,0]=3 9610 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,2,0,0,0,0|1,0,0]=3 9611 B12R1.385 CCCCc1ccc(c(n1)Br)O 271570a_100020621405_100000725334 [0,2,0,0,0,0|2,0,0]=4 9612 B12R1.385 CCCCc1ccc(c(n1)C)Br 271570a_100020621405_100012360386 [0,2,0,0,0,0|2,0,0]=4 9613 B12R1.385 CCCCc1ccc(c(n1)C)C 271570a_100020621405_100000103781 [0,2,0,0,0,0|2,0,0]=4 9614 B12R1.385 CCCCc1ccc(c(n1)C)F 271570a_100020621405_100009814307 [0,2,0,0,0,0|2,0,0]=4 9615 B12R1.385 CCCCc1ccc(c(n1)C)N 271570a_100020621405_100000760127 [0,2,0,0,0,0|2,0,0]=4 9616 B12R1.385 CCCCc1ccc(c(n1)C)O 271570a_100020621405_100010233687 [0,2,0,0,0,0|2,0,0]=4 9617 B12R1.385 CCCCc1ccc(c(n1)Cl)N 271570a_100020621405_200010233646 [0,2,0,0,0,0|2,0,0]=4 9618 B12R1.385 CCCCc1ccc(c(n1)Cl)O 271570a_100020621405_100000721234 [0,2,0,0,0,0|2,0,0]=4 9619 B12R1.385 CCCCc1ccc(c(n1)F)Br 271570a_100020621405_100010134343 [0,2,0,0,0,0|2,0,0]=4 9620 B12R1.385 CCCCc1ccc(c(n1)F)N 271570a_100020621405_100009856439 [0,2,0,0,0,0|2,0,0]=4 9621 B12R1.385 CCCCc1ccc(c(n1)F)O 271570a_100020621405_100009819667 [0,2,0,0,0,0|2,0,0]=4 9622 B12R1.385 CCCCc1ccc(c(n1)N)C 271570a_100020621405_100009857032 [0,2,0,0,0,0|2,0,0]=4 9623 B12R1.385 CCCCc1ccc(c(n1)N)F 271570a_100020621405_100016091773 [0,2,0,0,0,0|2,0,0]=4 9624 B12R1.385 CCCCc1ccc(c(n1)N)N 271570a_100020621405_100000747239 [0,2,0,0,0,0|2,0,0]=4 9625 B12R1.385 CCCCc1ccc(c(n1)N)O 271570a_100020621405_100000685527 [0,2,0,0,0,0|2,0,0]=4 9626 B12R1.385 CCCCc1ccc(c(n1)O)F 271570a_100020621405_100010729010 [0,2,0,0,0,0|2,0,0]=4 9627 B12R1.385 CCCCc1ccc(c(n1)O)N 271570a_100020621405_100000718904 [0,2,0,0,0,0|2,0,0]=4 9628 B12R1.385 CCCCc1ccn(c(=O)c1)C 271570a_100020621405_100009820031 [0,2,0,0,0,0|2,0,0]=4 9629 B12R1.385 CCCCc1cnc(c(c1)Br)Cl 271570a_100020621405_100010172733 [0,2,0,0,0,0|2,0,0]=4 9630 B12R1.385 CCCCc1cnc(c(c1)Br)N 271570a_100020621405_100012353989 [0,2,0,0,0,0|2,0,0]=4 9631 B12R1.385 CCCCc1cnc(c(c1)C)Br 271570a_100020621405_100009816107 [0,2,0,0,0,0|2,0,0]=4 9632 B12R1.385 CCCCc1cnc(c(c1)C)C 271570a_100020621405_100000697892 [0,2,0,0,0,0|2,0,0]=4 9633 B12R1.385 CCCCc1cnc(c(c1)C)Cl 271570a_100020621405_100009922867 [0,2,0,0,0,0|2,0,0]=4 9634 B12R1.385 CCCCc1cnc(c(c1)C)F 271570a_100020621405_100000709442 [0,2,0,0,0,0|2,0,0]=4 9635 B12R1.385 CCCCc1cnc(c(c1)C)N 271570a_100020621405_100000186686 [0,2,0,0,0,0|2,0,0]=4 9636 B12R1.385 CCCCc1cnc(c(c1)C)O 271570a_100020621405_100000685391 [0,2,0,0,0,0|2,0,0]=4 9637 B12R1.385 CCCCc1cnc(c(c1)Cl)N 271570a_100020621405_100012356299 [0,2,0,0,0,0|2,0,0]=4 9638 B12R1.385 CCCCc1cnc(c(c1)Cl)O 271570a_100020621405_100010238531 [0,2,0,0,0,0|2,0,0]=4 9639 B12R1.385 CCCCc1cnc(c(c1)F)C 271570a_100020621405_100009845756 [0,2,0,0,0,0|2,0,0]=4 9640 B12R1.385 CCCCc1cnc(c(c1)F)F 271570a_100020621405_100009817721 [0,2,0,0,0,0|2,0,0]=4 9641 B12R1.385 CCCCc1cnc(c(c1)F)N 271570a_100020621405_100000693161 [0,2,0,0,0,0|2,0,0]=4 9642 B12R1.385 CCCCc1cnc(c(c1)N)C 271570a_100020621405_100011999542 [0,2,0,0,0,0|2,0,0]=4 9643 B12R1.385 CCCCc1cnc(c(c1)N)Cl 271570a_100020621405_100009828400 [0,2,0,0,0,0|2,0,0]=4 9644 B12R1.385 CCCCc1cnc(c(c1)N)F 271570a_100020621405_100009816798 [0,2,0,0,0,0|2,0,0]=4 9645 B12R1.385 CCCCc1cnc(c(c1)N)N 271570a_100020621405_100000184470 [0,2,0,0,0,0|2,0,0]=4 9646 B12R1.385 CCCCc1cnc(c(c1)N)O 271570a_100020621405_100000743729 [0,2,0,0,0,0|2,0,0]=4 9647 B12R1.385 CCCCc1cnc(c(c1)O)C 271570a_100020621405_100009864810 [0,2,0,0,0,0|2,0,0]=4 9648 B12R1.385 CCCCc1cnc(c(c1)O)F 271570a_100020621405_100009819871 [0,2,0,0,0,0|2,0,0]=4 9649 B12R1.385 CCCCc1cnc(c(c1)O)N 271570a_100020621405_100009819042 [0,2,0,0,0,0|2,0,0]=4 9650 B12R1.385 CCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210303 [0,2,0,0,0,0|2,0,0]=4 9651 B12R1.385 CCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000210303 [0,2,0,0,0,0|2,0,0]=4 9652 B12R1.385 CCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210303 [0,2,0,0,0,0|2,0,0]=4 9653 B12R1.385 CCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210303 [0,2,0,0,0,0|2,0,0]=4 9654 B12R1.385 CCCNc1ccc(c(c1)Br)C 34a_100000736455_100000210303 [0,2,0,0,0,0|2,0,0]=4 9655 B12R1.385 CCCNc1ccc(c(c1)Br)C 7a_100000736455_100000210303 [0,2,0,0,0,0|2,0,0]=4 9656 B12R1.385 CCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210303 [0,2,0,0,0,0|2,0,0]=4 9657 B12R1.385 CCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210303 [0,2,0,0,0,0|2,0,0]=4 9658 B12R1.385 CCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210303 [0,2,0,0,0,0|2,0,0]=4 9659 B12R1.385 CCCNc1ccc(c(c1)Br)F 34a_100000760356_100000210303 [0,2,0,0,0,0|2,0,0]=4 9660 B12R1.385 CCCNc1ccc(c(c1)Br)F 7a_100000760356_100000210303 [0,2,0,0,0,0|2,0,0]=4 9661 B12R1.385 CCCNc1ccc(c(c1)Br)I 34a_100000750458_100000210303 [0,2,0,0,0,0|2,0,0]=4 9662 B12R1.385 CCCNc1ccc(c(c1)Br)O 34a_100011534360_100000210303 [0,2,0,0,0,0|2,0,0]=4 9663 B12R1.385 CCCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210303 [0,2,0,0,0,0|2,0,0]=4 9664 B12R1.385 CCCNc1ccc(c(c1)C)Br 34a_100000210723_100000210303 [0,2,0,0,0,0|2,0,0]=4 9665 B12R1.385 CCCNc1ccc(c(c1)C)Br 7a_100000210723_100000210303 [0,2,0,0,0,0|2,0,0]=4 9666 B12R1.385 CCCNc1ccc(c(c1)C)C 2230a_100000724040_100000210303 [0,2,0,0,0,0|2,0,0]=4 9667 B12R1.385 CCCNc1ccc(c(c1)C)C 34a_100000724040_100000210303 [0,2,0,0,0,0|2,0,0]=4 9668 B12R1.385 CCCNc1ccc(c(c1)C)C 7a_100000724040_100000210303 [0,2,0,0,0,0|2,0,0]=4 9669 B12R1.385 CCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210303 [0,2,0,0,0,0|2,0,0]=4 9670 B12R1.385 CCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210303 [0,2,0,0,0,0|2,0,0]=4 9671 B12R1.385 CCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210303 [0,2,0,0,0,0|2,0,0]=4 9672 B12R1.385 CCCNc1ccc(c(c1)C)F 2230a_100000750164_100000210303 [0,2,0,0,0,0|2,0,0]=4 9673 B12R1.385 CCCNc1ccc(c(c1)C)F 34a_100000750164_100000210303 [0,2,0,0,0,0|2,0,0]=4 9674 B12R1.385 CCCNc1ccc(c(c1)C)F 7a_100000750164_100000210303 [0,2,0,0,0,0|2,0,0]=4 9675 B12R1.385 CCCNc1ccc(c(c1)C)I 34a_100000198070_100000210303 [0,2,0,0,0,0|2,0,0]=4 9676 B12R1.385 CCCNc1ccc(c(c1)C)I 7a_100000198070_100000210303 [0,2,0,0,0,0|2,0,0]=4 9677 B12R1.385 CCCNc1ccc(c(c1)C)O 34a_100011218179_100000210303 [0,2,0,0,0,0|2,0,0]=4 9678 B12R1.385 CCCNc1ccc(c(c1)C)O 7a_100011218179_100000210303 [0,2,0,0,0,0|2,0,0]=4 9679 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210303 [0,2,0,0,0,0|2,0,0]=4 9680 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000210303 [0,2,0,0,0,0|2,0,0]=4 9681 B12R1.385 CCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210303 [0,2,0,0,0,0|2,0,0]=4 9682 B12R1.385 CCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210303 [0,2,0,0,0,0|2,0,0]=4 9683 B12R1.385 CCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210303 [0,2,0,0,0,0|2,0,0]=4 9684 B12R1.385 CCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210303 [0,2,0,0,0,0|2,0,0]=4 9685 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210303 [0,2,0,0,0,0|2,0,0]=4 9686 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210303 [0,2,0,0,0,0|2,0,0]=4 9687 B12R1.385 CCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210303 [0,2,0,0,0,0|2,0,0]=4 9688 B12R1.385 CCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000210303 [0,2,0,0,0,0|2,0,0]=4 9689 B12R1.385 CCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210303 [0,2,0,0,0,0|2,0,0]=4 9690 B12R1.385 CCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000210303 [0,2,0,0,0,0|2,0,0]=4 9691 B12R1.385 CCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000210303 [0,2,0,0,0,0|2,0,0]=4 9692 B12R1.385 CCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210303 [0,2,0,0,0,0|2,0,0]=4 9693 B12R1.385 CCCNc1ccc(c(c1)F)Br 34a_100000759894_100000210303 [0,2,0,0,0,0|2,0,0]=4 9694 B12R1.385 CCCNc1ccc(c(c1)F)Br 7a_100000759894_100000210303 [0,2,0,0,0,0|2,0,0]=4 9695 B12R1.385 CCCNc1ccc(c(c1)F)C 2230a_100000210958_100000210303 [0,2,0,0,0,0|2,0,0]=4 9696 B12R1.385 CCCNc1ccc(c(c1)F)C 34a_100000210958_100000210303 [0,2,0,0,0,0|2,0,0]=4 9697 B12R1.385 CCCNc1ccc(c(c1)F)C 7a_100000210958_100000210303 [0,2,0,0,0,0|2,0,0]=4 9698 B12R1.385 CCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210303 [0,2,0,0,0,0|2,0,0]=4 9699 B12R1.385 CCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210303 [0,2,0,0,0,0|2,0,0]=4 9700 B12R1.385 CCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210303 [0,2,0,0,0,0|2,0,0]=4 9701 B12R1.385 CCCNc1ccc(c(c1)F)F 2230a_100000210724_100000210303 [0,2,0,0,0,0|2,0,0]=4 9702 B12R1.385 CCCNc1ccc(c(c1)F)F 34a_100000210724_100000210303 [0,2,0,0,0,0|2,0,0]=4 9703 B12R1.385 CCCNc1ccc(c(c1)F)F 7a_100000210724_100000210303 [0,2,0,0,0,0|2,0,0]=4 9704 B12R1.385 CCCNc1ccc(c(c1)F)I 34a_100011356925_100000210303 [0,2,0,0,0,0|2,0,0]=4 9705 B12R1.385 CCCNc1ccc(c(c1)F)I 7a_100011356925_100000210303 [0,2,0,0,0,0|2,0,0]=4 9706 B12R1.385 CCCNc1ccc(c(c1)F)O 34a_100011220035_100000210303 [0,2,0,0,0,0|2,0,0]=4 9707 B12R1.385 CCCNc1ccc(c(c1)F)O 7a_100011220035_100000210303 [0,2,0,0,0,0|2,0,0]=4 9708 B12R1.385 CCCNc1ccc(c(c1)I)Br 34a_100000750459_100000210303 [0,2,0,0,0,0|2,0,0]=4 9709 B12R1.385 CCCNc1ccc(c(c1)I)C 34a_100000184131_100000210303 [0,2,0,0,0,0|2,0,0]=4 9710 B12R1.385 CCCNc1ccc(c(c1)I)C 7a_100000184131_100000210303 [0,2,0,0,0,0|2,0,0]=4 9711 B12R1.385 CCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210303 [0,2,0,0,0,0|2,0,0]=4 9712 B12R1.385 CCCNc1ccc(c(c1)I)F 34a_114828291077_100000210303 [0,2,0,0,0,0|2,0,0]=4 9713 B12R1.385 CCCNc1ccc(c(c1)I)F 7a_114828291077_100000210303 [0,2,0,0,0,0|2,0,0]=4 9714 B12R1.385 CCCNc1ccc(c(c1)O)C 34a_100000759471_100000210303 [0,2,0,0,0,0|2,0,0]=4 9715 B12R1.385 CCCNc1ccc(c(c1)O)C 7a_100000759471_100000210303 [0,2,0,0,0,0|2,0,0]=4 9716 B12R1.385 CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210303 [0,2,0,0,0,0|2,0,0]=4 9717 B12R1.385 CCCNc1ccc(c(c1)O)F 34a_100012017398_100000210303 [0,2,0,0,0,0|2,0,0]=4 9718 B12R1.385 CCCNc1ccc(c(c1)O)F 7a_100012017398_100000210303 [0,2,0,0,0,0|2,0,0]=4 9719 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [0,2,0,0,0,0|2,0,0]=4 9720 B12R1.385 CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210303 [0,2,0,0,0,0|2,0,0]=4 9721 B12R1.385 CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210303 [0,2,0,0,0,0|2,0,0]=4 9722 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210303 [0,2,0,0,0,0|2,0,0]=4 9723 B12R1.385 CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210303 [0,2,0,0,0,0|2,0,0]=4 9724 B12R1.385 CCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210303 [0,2,0,0,0,0|2,0,0]=4 9725 B12R1.385 CCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210303 [0,2,0,0,0,0|2,0,0]=4 9726 B12R1.385 CCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210303 [0,2,0,0,0,0|2,0,0]=4 9727 B12R1.385 CCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210303 [0,2,0,0,0,0|2,0,0]=4 9728 B12R1.385 CCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210303 [0,2,0,0,0,0|2,0,0]=4 9729 B12R1.385 CCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210303 [0,2,0,0,0,0|2,0,0]=4 9730 B12R1.385 CCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210303 [0,2,0,0,0,0|2,0,0]=4 9731 B12R1.385 CCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210303 [0,2,0,0,0,0|2,0,0]=4 9732 B12R1.385 CCCOc1ccc(c(c1)C)C 34a_100000210932_100000210303 [0,2,0,0,0,0|2,0,0]=4 9733 B12R1.385 CCCOc1ccc(c(c1)C)C 7a_100000210932_100000210303 [0,2,0,0,0,0|2,0,0]=4 9734 B12R1.385 CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210303 [0,2,0,0,0,0|2,0,0]=4 9735 B12R1.385 CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210303 [0,2,0,0,0,0|2,0,0]=4 9736 B12R1.385 CCCOc1ccc(c(c1)C)F 34a_100000751312_100000210303 [0,2,0,0,0,0|2,0,0]=4 9737 B12R1.385 CCCOc1ccc(c(c1)C)F 7a_100000751312_100000210303 [0,2,0,0,0,0|2,0,0]=4 9738 B12R1.385 CCCOc1ccc(c(c1)C)I 34a_100000729255_100000210303 [0,2,0,0,0,0|2,0,0]=4 9739 B12R1.385 CCCOc1ccc(c(c1)C)I 7a_100000729255_100000210303 [0,2,0,0,0,0|2,0,0]=4 9740 B12R1.385 CCCOc1ccc(c(c1)C)N 34a_100000756630_100000210303 [0,2,0,0,0,0|2,0,0]=4 9741 B12R1.385 CCCOc1ccc(c(c1)C)N 7a_100000756630_100000210303 [0,2,0,0,0,0|2,0,0]=4 9742 B12R1.385 CCCOc1ccc(c(c1)C)O 271570a_203496583355_200012361509 [0,2,0,0,0,0|2,0,0]=4 9743 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210303 [0,2,0,0,0,0|2,0,0]=4 9744 B12R1.385 CCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210303 [0,2,0,0,0,0|2,0,0]=4 9745 B12R1.385 CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210303 [0,2,0,0,0,0|2,0,0]=4 9746 B12R1.385 CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210303 [0,2,0,0,0,0|2,0,0]=4 9747 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210303 [0,2,0,0,0,0|2,0,0]=4 9748 B12R1.385 CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210303 [0,2,0,0,0,0|2,0,0]=4 9749 B12R1.385 CCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210303 [0,2,0,0,0,0|2,0,0]=4 9750 B12R1.385 CCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210303 [0,2,0,0,0,0|2,0,0]=4 9751 B12R1.385 CCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210303 [0,2,0,0,0,0|2,0,0]=4 9752 B12R1.385 CCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210303 [0,2,0,0,0,0|2,0,0]=4 9753 B12R1.385 CCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210303 [0,2,0,0,0,0|2,0,0]=4 9754 B12R1.385 CCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210303 [0,2,0,0,0,0|2,0,0]=4 9755 B12R1.385 CCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210303 [0,2,0,0,0,0|2,0,0]=4 9756 B12R1.385 CCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210303 [0,2,0,0,0,0|2,0,0]=4 9757 B12R1.385 CCCOc1ccc(c(c1)F)C 34a_100000722560_100000210303 [0,2,0,0,0,0|2,0,0]=4 9758 B12R1.385 CCCOc1ccc(c(c1)F)C 7a_100000722560_100000210303 [0,2,0,0,0,0|2,0,0]=4 9759 B12R1.385 CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210303 [0,2,0,0,0,0|2,0,0]=4 9760 B12R1.385 CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210303 [0,2,0,0,0,0|2,0,0]=4 9761 B12R1.385 CCCOc1ccc(c(c1)F)F 34a_100000181275_100000210303 [0,2,0,0,0,0|2,0,0]=4 9762 B12R1.385 CCCOc1ccc(c(c1)F)F 7a_100000181275_100000210303 [0,2,0,0,0,0|2,0,0]=4 9763 B12R1.385 CCCOc1ccc(c(c1)F)I 34a_100009990212_100000210303 [0,2,0,0,0,0|2,0,0]=4 9764 B12R1.385 CCCOc1ccc(c(c1)F)I 7a_100009990212_100000210303 [0,2,0,0,0,0|2,0,0]=4 9765 B12R1.385 CCCOc1ccc(c(c1)F)N 34a_100000759473_100000210303 [0,2,0,0,0,0|2,0,0]=4 9766 B12R1.385 CCCOc1ccc(c(c1)F)N 7a_100000759473_100000210303 [0,2,0,0,0,0|2,0,0]=4 9767 B12R1.385 CCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236930 [0,2,0,0,0,0|2,0,0]=4 9768 B12R1.385 CCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210303 [0,2,0,0,0,0|2,0,0]=4 9769 B12R1.385 CCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210303 [0,2,0,0,0,0|2,0,0]=4 9770 B12R1.385 CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210303 [0,2,0,0,0,0|2,0,0]=4 9771 B12R1.385 CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210303 [0,2,0,0,0,0|2,0,0]=4 9772 B12R1.385 CCCOc1ccc(c(c1)I)N 34a_100010084370_100000210303 [0,2,0,0,0,0|2,0,0]=4 9773 B12R1.385 CCCOc1ccc(c(c1)I)N 7a_100010084370_100000210303 [0,2,0,0,0,0|2,0,0]=4 9774 B12R1.385 CCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210303 [0,2,0,0,0,0|2,0,0]=4 9775 B12R1.385 CCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210303 [0,2,0,0,0,0|2,0,0]=4 9776 B12R1.385 CCCOc1ccc(c(c1)N)C 34a_100011216113_100000210303 [0,2,0,0,0,0|2,0,0]=4 9777 B12R1.385 CCCOc1ccc(c(c1)N)C 7a_100011216113_100000210303 [0,2,0,0,0,0|2,0,0]=4 9778 B12R1.385 CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210303 [0,2,0,0,0,0|2,0,0]=4 9779 B12R1.385 CCCOc1ccc(c(c1)N)F 34a_100012017239_100000210303 [0,2,0,0,0,0|2,0,0]=4 9780 B12R1.385 CCCOc1ccc(c(c1)N)F 7a_100012017239_100000210303 [0,2,0,0,0,0|2,0,0]=4 9781 B12R1.385 CCCOc1ccc(c(c1)N)N 34a_100025771000_100000210303 [0,2,0,0,0,0|2,0,0]=4 9782 B12R1.385 CCCSc1ccc(c(c1)Br)Br 62a_100000210303_100012356285 [0,2,0,0,0,0|2,0,0]=4 9783 B12R1.385 CCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210303 [0,2,0,0,0,0|2,0,0]=4 9784 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100000210303_100011847877 [0,2,0,0,0,0|2,0,0]=4 9785 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100011847877_100000210303 [0,2,0,0,0,0|2,0,0]=4 9786 B12R1.385 CCCSc1ccc(c(c1)Br)Cl 62a_100000210303_100012353702 [0,2,0,0,0,0|2,0,0]=4 9787 B12R1.385 CCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210303 [0,2,0,0,0,0|2,0,0]=4 9788 B12R1.385 CCCSc1ccc(c(c1)Br)F 62a_100000210303_100012047266 [0,2,0,0,0,0|2,0,0]=4 9789 B12R1.385 CCCSc1ccc(c(c1)Br)F 62a_100012047266_100000210303 [0,2,0,0,0,0|2,0,0]=4 9790 B12R1.385 CCCSc1ccc(c(c1)Br)N 62a_100000210303_100000750455 [0,2,0,0,0,0|2,0,0]=4 9791 B12R1.385 CCCSc1ccc(c(c1)Br)N 62a_100000750455_100000210303 [0,2,0,0,0,0|2,0,0]=4 9792 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100000210303_100012361655 [0,2,0,0,0,0|2,0,0]=4 9793 B12R1.385 CCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210303 [0,2,0,0,0,0|2,0,0]=4 9794 B12R1.385 CCCSc1ccc(c(c1)C)Br 62a_100000210303_100009813585 [0,2,0,0,0,0|2,0,0]=4 9795 B12R1.385 CCCSc1ccc(c(c1)C)Br 62a_100009813585_100000210303 [0,2,0,0,0,0|2,0,0]=4 9796 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100000210303_100011215607 [0,2,0,0,0,0|2,0,0]=4 9797 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100011215607_100000210303 [0,2,0,0,0,0|2,0,0]=4 9798 B12R1.385 CCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210303 [0,2,0,0,0,0|2,0,0]=4 9799 B12R1.385 CCCSc1ccc(c(c1)C)Cl 62a_100000210303_100000049509 [0,2,0,0,0,0|2,0,0]=4 9800 B12R1.385 CCCSc1ccc(c(c1)C)F 62a_100000210303_100011218330 [0,2,0,0,0,0|2,0,0]=4 9801 B12R1.385 CCCSc1ccc(c(c1)C)F 62a_100011218330_100000210303 [0,2,0,0,0,0|2,0,0]=4 9802 B12R1.385 CCCSc1ccc(c(c1)C)N 62a_100000210303_100000211769 [0,2,0,0,0,0|2,0,0]=4 9803 B12R1.385 CCCSc1ccc(c(c1)C)N 62a_100000211769_100000210303 [0,2,0,0,0,0|2,0,0]=4 9804 B12R1.385 CCCSc1ccc(c(c1)C)O 62a_100000210303_100000186361 [0,2,0,0,0,0|2,0,0]=4 9805 B12R1.385 CCCSc1ccc(c(c1)Cl)Br 62a_100000210303_100012047281 [0,2,0,0,0,0|2,0,0]=4 9806 B12R1.385 CCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210303 [0,2,0,0,0,0|2,0,0]=4 9807 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100000210303_100011216363 [0,2,0,0,0,0|2,0,0]=4 9808 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210303 [0,2,0,0,0,0|2,0,0]=4 9809 B12R1.385 CCCSc1ccc(c(c1)Cl)Cl 62a_100000210303_100011214914 [0,2,0,0,0,0|2,0,0]=4 9810 B12R1.385 CCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210303 [0,2,0,0,0,0|2,0,0]=4 9811 B12R1.385 CCCSc1ccc(c(c1)Cl)F 62a_100000210303_100011215976 [0,2,0,0,0,0|2,0,0]=4 9812 B12R1.385 CCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210303 [0,2,0,0,0,0|2,0,0]=4 9813 B12R1.385 CCCSc1ccc(c(c1)Cl)N 62a_100000210303_100011218065 [0,2,0,0,0,0|2,0,0]=4 9814 B12R1.385 CCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210303 [0,2,0,0,0,0|2,0,0]=4 9815 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100000210303_100012360047 [0,2,0,0,0,0|2,0,0]=4 9816 B12R1.385 CCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210303 [0,2,0,0,0,0|2,0,0]=4 9817 B12R1.385 CCCSc1ccc(c(c1)F)Br 62a_100000210303_100000685389 [0,2,0,0,0,0|2,0,0]=4 9818 B12R1.385 CCCSc1ccc(c(c1)F)Br 62a_100000685389_100000210303 [0,2,0,0,0,0|2,0,0]=4 9819 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000210303_100000720648 [0,2,0,0,0,0|2,0,0]=4 9820 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000720648_100000210303 [0,2,0,0,0,0|2,0,0]=4 9821 B12R1.385 CCCSc1ccc(c(c1)F)Cl 62a_100000210303_100011216805 [0,2,0,0,0,0|2,0,0]=4 9822 B12R1.385 CCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210303 [0,2,0,0,0,0|2,0,0]=4 9823 B12R1.385 CCCSc1ccc(c(c1)F)F 62a_100000210303_100000703953 [0,2,0,0,0,0|2,0,0]=4 9824 B12R1.385 CCCSc1ccc(c(c1)F)F 62a_100000703953_100000210303 [0,2,0,0,0,0|2,0,0]=4 9825 B12R1.385 CCCSc1ccc(c(c1)F)N 62a_100000210303_100011215594 [0,2,0,0,0,0|2,0,0]=4 9826 B12R1.385 CCCSc1ccc(c(c1)F)N 62a_100011215594_100000210303 [0,2,0,0,0,0|2,0,0]=4 9827 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000185481_100000210303 [0,2,0,0,0,0|2,0,0]=4 9828 B12R1.385 CCCSc1ccc(c(c1)F)O 62a_100000210303_100000185481 [0,2,0,0,0,0|2,0,0]=4 9829 B12R1.385 CCCSc1ccc(c(c1)N)Br 62a_100000210303_100000750456 [0,2,0,0,0,0|2,0,0]=4 9830 B12R1.385 CCCSc1ccc(c(c1)N)Br 62a_100000750456_100000210303 [0,2,0,0,0,0|2,0,0]=4 9831 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000210303_100000761890 [0,2,0,0,0,0|2,0,0]=4 9832 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000761890_100000210303 [0,2,0,0,0,0|2,0,0]=4 9833 B12R1.385 CCCSc1ccc(c(c1)N)Cl 62a_100000210303_200000761891 [0,2,0,0,0,0|2,0,0]=4 9834 B12R1.385 CCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210303 [0,2,0,0,0,0|2,0,0]=4 9835 B12R1.385 CCCSc1ccc(c(c1)N)F 62a_100000210303_100000740924 [0,2,0,0,0,0|2,0,0]=4 9836 B12R1.385 CCCSc1ccc(c(c1)N)F 62a_100000740924_100000210303 [0,2,0,0,0,0|2,0,0]=4 9837 B12R1.385 CCCSc1ccc(c(c1)N)N 62a_100000210303_100011534411 [0,2,0,0,0,0|2,0,0]=4 9838 B12R1.385 CCCSc1ccc(c(c1)N)N 62a_100000741789_100000210303 [0,2,0,0,0,0|2,0,0]=4 9839 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000210303_100000752626 [0,2,0,0,0,0|2,0,0]=4 9840 B12R1.385 CCCSc1ccc(c(c1)N)O 62a_100000752626_100000210303 [0,2,0,0,0,0|2,0,0]=4 9841 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100000210303_100012356990 [0,2,0,0,0,0|2,0,0]=4 9842 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210303 [0,2,0,0,0,0|2,0,0]=4 9843 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000210303_100000685420 [0,2,0,0,0,0|2,0,0]=4 9844 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000685420_100000210303 [0,2,0,0,0,0|2,0,0]=4 9845 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100000210303_100011356854 [0,2,0,0,0,0|2,0,0]=4 9846 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210303 [0,2,0,0,0,0|2,0,0]=4 9847 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000210303_100000686035 [0,2,0,0,0,0|2,0,0]=4 9848 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000686035_100000210303 [0,2,0,0,0,0|2,0,0]=4 9849 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000210303_100000739049 [0,2,0,0,0,0|2,0,0]=4 9850 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000739049_100000210303 [0,2,0,0,0,0|2,0,0]=4 9851 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [0,2,0,0,0,0|2,0,0]=4 9852 B12R1.385 CCNCc1ccc(c(c1)Br)Br 207a_100015525214_100011215943 [0,2,0,0,0,0|2,0,0]=4 9853 B12R1.385 CCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210202 [0,2,0,0,0,0|2,0,0]=4 9854 B12R1.385 CCNCc1ccc(c(c1)Br)Br 2230a_100015525214_100012353900 [0,2,0,0,0,0|2,0,0]=4 9855 B12R1.385 CCNCc1ccc(c(c1)Br)Br 270004a_100015525214_100011215943 [0,2,0,0,0,0|2,0,0]=4 9856 B12R1.385 CCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000210202 [0,2,0,0,0,0|2,0,0]=4 9857 B12R1.385 CCNCc1ccc(c(c1)Br)C 207a_100015525214_100000695567 [0,2,0,0,0,0|2,0,0]=4 9858 B12R1.385 CCNCc1ccc(c(c1)Br)C 2230a_100015525214_100012232412 [0,2,0,0,0,0|2,0,0]=4 9859 B12R1.385 CCNCc1ccc(c(c1)Br)C 270004a_100015525214_100000695567 [0,2,0,0,0,0|2,0,0]=4 9860 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 207a_100015525214_100000693810 [0,2,0,0,0,0|2,0,0]=4 9861 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210202 [0,2,0,0,0,0|2,0,0]=4 9862 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 2230a_100015525214_100012353894 [0,2,0,0,0,0|2,0,0]=4 9863 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 270004a_100015525214_100000693810 [0,2,0,0,0,0|2,0,0]=4 9864 B12R1.385 CCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210202 [0,2,0,0,0,0|2,0,0]=4 9865 B12R1.385 CCNCc1ccc(c(c1)Br)F 207a_100015525214_100000211747 [0,2,0,0,0,0|2,0,0]=4 9866 B12R1.385 CCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000210202 [0,2,0,0,0,0|2,0,0]=4 9867 B12R1.385 CCNCc1ccc(c(c1)Br)F 2230a_100015525214_100011206884 [0,2,0,0,0,0|2,0,0]=4 9868 B12R1.385 CCNCc1ccc(c(c1)Br)F 270004a_100015525214_100000211747 [0,2,0,0,0,0|2,0,0]=4 9869 B12R1.385 CCNCc1ccc(c(c1)Br)F 34a_100015193890_100000210202 [0,2,0,0,0,0|2,0,0]=4 9870 B12R1.385 CCNCc1ccc(c(c1)C)Br 207a_100015525214_100000765772 [0,2,0,0,0,0|2,0,0]=4 9871 B12R1.385 CCNCc1ccc(c(c1)C)Br 2230a_100015205234_100000210202 [0,2,0,0,0,0|2,0,0]=4 9872 B12R1.385 CCNCc1ccc(c(c1)C)Br 2230a_100015525214_100000727479 [0,2,0,0,0,0|2,0,0]=4 9873 B12R1.385 CCNCc1ccc(c(c1)C)Br 270004a_100015525214_100000765772 [0,2,0,0,0,0|2,0,0]=4 9874 B12R1.385 CCNCc1ccc(c(c1)C)Br 34a_100015205234_100000210202 [0,2,0,0,0,0|2,0,0]=4 9875 B12R1.385 CCNCc1ccc(c(c1)C)C 207a_100015525214_100000229942 [0,2,0,0,0,0|2,0,0]=4 9876 B12R1.385 CCNCc1ccc(c(c1)C)C 2230a_100015525214_100000742320 [0,2,0,0,0,0|2,0,0]=4 9877 B12R1.385 CCNCc1ccc(c(c1)C)C 2230a_100025706692_100000210202 [0,2,0,0,0,0|2,0,0]=4 9878 B12R1.385 CCNCc1ccc(c(c1)C)C 270004a_100015525214_100000229942 [0,2,0,0,0,0|2,0,0]=4 9879 B12R1.385 CCNCc1ccc(c(c1)C)C 34a_100025706692_100000210202 [0,2,0,0,0,0|2,0,0]=4 9880 B12R1.385 CCNCc1ccc(c(c1)C)Cl 207a_100015525214_100000698814 [0,2,0,0,0,0|2,0,0]=4 9881 B12R1.385 CCNCc1ccc(c(c1)C)Cl 2230a_100015525214_100012184735 [0,2,0,0,0,0|2,0,0]=4 9882 B12R1.385 CCNCc1ccc(c(c1)C)Cl 270004a_100015525214_100000698814 [0,2,0,0,0,0|2,0,0]=4 9883 B12R1.385 CCNCc1ccc(c(c1)C)F 207a_100015525214_100000748208 [0,2,0,0,0,0|2,0,0]=4 9884 B12R1.385 CCNCc1ccc(c(c1)C)F 2230a_100000239911_100000210202 [0,2,0,0,0,0|2,0,0]=4 9885 B12R1.385 CCNCc1ccc(c(c1)C)F 2230a_100015525214_100011216667 [0,2,0,0,0,0|2,0,0]=4 9886 B12R1.385 CCNCc1ccc(c(c1)C)F 270004a_100015525214_100000748208 [0,2,0,0,0,0|2,0,0]=4 9887 B12R1.385 CCNCc1ccc(c(c1)C)F 34a_100000239911_100000210202 [0,2,0,0,0,0|2,0,0]=4 9888 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 207a_100015525214_100000690054 [0,2,0,0,0,0|2,0,0]=4 9889 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210202 [0,2,0,0,0,0|2,0,0]=4 9890 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 2230a_100015525214_100012353895 [0,2,0,0,0,0|2,0,0]=4 9891 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 270004a_100015525214_100000690054 [0,2,0,0,0,0|2,0,0]=4 9892 B12R1.385 CCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000210202 [0,2,0,0,0,0|2,0,0]=4 9893 B12R1.385 CCNCc1ccc(c(c1)Cl)C 207a_100015525214_100000760539 [0,2,0,0,0,0|2,0,0]=4 9894 B12R1.385 CCNCc1ccc(c(c1)Cl)C 2230a_100015525214_100011823929 [0,2,0,0,0,0|2,0,0]=4 9895 B12R1.385 CCNCc1ccc(c(c1)Cl)C 2230a_102495364989_100000210202 [0,2,0,0,0,0|2,0,0]=4 9896 B12R1.385 CCNCc1ccc(c(c1)Cl)C 270004a_100015525214_100000760539 [0,2,0,0,0,0|2,0,0]=4 9897 B12R1.385 CCNCc1ccc(c(c1)Cl)C 34a_102495364989_100000210202 [0,2,0,0,0,0|2,0,0]=4 9898 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 207a_100015525214_100000188533 [0,2,0,0,0,0|2,0,0]=4 9899 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210202 [0,2,0,0,0,0|2,0,0]=4 9900 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 2230a_100015525214_100000184707 [0,2,0,0,0,0|2,0,0]=4 9901 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 270004a_100015525214_100000188533 [0,2,0,0,0,0|2,0,0]=4 9902 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210202 [0,2,0,0,0,0|2,0,0]=4 9903 B12R1.385 CCNCc1ccc(c(c1)Cl)F 207a_100015525214_100000742290 [0,2,0,0,0,0|2,0,0]=4 9904 B12R1.385 CCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210202 [0,2,0,0,0,0|2,0,0]=4 9905 B12R1.385 CCNCc1ccc(c(c1)Cl)F 2230a_100015525214_100000717365 [0,2,0,0,0,0|2,0,0]=4 9906 B12R1.385 CCNCc1ccc(c(c1)Cl)F 270004a_100015525214_100000742290 [0,2,0,0,0,0|2,0,0]=4 9907 B12R1.385 CCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000210202 [0,2,0,0,0,0|2,0,0]=4 9908 B12R1.385 CCNCc1ccc(c(c1)Cl)I 2230a_100015525214_100012349665 [0,2,0,0,0,0|2,0,0]=4 9909 B12R1.385 CCNCc1ccc(c(c1)F)Br 207a_100015525214_100000686674 [0,2,0,0,0,0|2,0,0]=4 9910 B12R1.385 CCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000210202 [0,2,0,0,0,0|2,0,0]=4 9911 B12R1.385 CCNCc1ccc(c(c1)F)Br 2230a_100015525214_100000767054 [0,2,0,0,0,0|2,0,0]=4 9912 B12R1.385 CCNCc1ccc(c(c1)F)Br 270004a_100015525214_100000686674 [0,2,0,0,0,0|2,0,0]=4 9913 B12R1.385 CCNCc1ccc(c(c1)F)Br 34a_100000755036_100000210202 [0,2,0,0,0,0|2,0,0]=4 9914 B12R1.385 CCNCc1ccc(c(c1)F)C 207a_100015525214_100000753222 [0,2,0,0,0,0|2,0,0]=4 9915 B12R1.385 CCNCc1ccc(c(c1)F)C 2230a_100015525214_100011217369 [0,2,0,0,0,0|2,0,0]=4 9916 B12R1.385 CCNCc1ccc(c(c1)F)C 2230a_100102708794_100000210202 [0,2,0,0,0,0|2,0,0]=4 9917 B12R1.385 CCNCc1ccc(c(c1)F)C 270004a_100015525214_100000753222 [0,2,0,0,0,0|2,0,0]=4 9918 B12R1.385 CCNCc1ccc(c(c1)F)C 34a_100102708794_100000210202 [0,2,0,0,0,0|2,0,0]=4 9919 B12R1.385 CCNCc1ccc(c(c1)F)Cl 207a_100015525214_100000745630 [0,2,0,0,0,0|2,0,0]=4 9920 B12R1.385 CCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210202 [0,2,0,0,0,0|2,0,0]=4 9921 B12R1.385 CCNCc1ccc(c(c1)F)Cl 2230a_100015525214_100000716492 [0,2,0,0,0,0|2,0,0]=4 9922 B12R1.385 CCNCc1ccc(c(c1)F)Cl 270004a_100015525214_100000745630 [0,2,0,0,0,0|2,0,0]=4 9923 B12R1.385 CCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000210202 [0,2,0,0,0,0|2,0,0]=4 9924 B12R1.385 CCNCc1ccc(c(c1)F)F 207a_100015525214_100000211062 [0,2,0,0,0,0|2,0,0]=4 9925 B12R1.385 CCNCc1ccc(c(c1)F)F 2230a_100000737897_100000210202 [0,2,0,0,0,0|2,0,0]=4 9926 B12R1.385 CCNCc1ccc(c(c1)F)F 2230a_100015525214_100000757363 [0,2,0,0,0,0|2,0,0]=4 9927 B12R1.385 CCNCc1ccc(c(c1)F)F 270004a_100015525214_100000211062 [0,2,0,0,0,0|2,0,0]=4 9928 B12R1.385 CCNCc1ccc(c(c1)F)F 34a_100000737897_100000210202 [0,2,0,0,0,0|2,0,0]=4 9929 B12R1.385 CCNCc1ccc(c(c1)F)I 207a_100015525214_100000050832 [0,2,0,0,0,0|2,0,0]=4 9930 B12R1.385 CCNCc1ccc(c(c1)F)I 2230a_100015525214_100010149604 [0,2,0,0,0,0|2,0,0]=4 9931 B12R1.385 CCNCc1ccc(c(c1)F)I 270004a_100015525214_100000050832 [0,2,0,0,0,0|2,0,0]=4 9932 B12R1.385 CCNCc1ccc(c(c1)F)O 34a_100000758358_100000210202 [0,2,0,0,0,0|2,0,0]=4 9933 B12R1.385 CCNCc1ccc(c(c1)I)Br 207a_100015525214_100010146563 [0,2,0,0,0,0|2,0,0]=4 9934 B12R1.385 CCNCc1ccc(c(c1)I)Br 2230a_100015525214_100010146616 [0,2,0,0,0,0|2,0,0]=4 9935 B12R1.385 CCNCc1ccc(c(c1)I)Br 270004a_100015525214_100010146563 [0,2,0,0,0,0|2,0,0]=4 9936 B12R1.385 CCNCc1ccc(c(c1)I)C 207a_100015525214_100010197721 [0,2,0,0,0,0|2,0,0]=4 9937 B12R1.385 CCNCc1ccc(c(c1)I)C 2230a_100015525214_100010206137 [0,2,0,0,0,0|2,0,0]=4 9938 B12R1.385 CCNCc1ccc(c(c1)I)C 270004a_100015525214_100010197721 [0,2,0,0,0,0|2,0,0]=4 9939 B12R1.385 CCNCc1ccc(c(c1)I)Cl 207a_100015525214_100010209939 [0,2,0,0,0,0|2,0,0]=4 9940 B12R1.385 CCNCc1ccc(c(c1)I)Cl 270004a_100015525214_100010209939 [0,2,0,0,0,0|2,0,0]=4 9941 B12R1.385 CCNCc1ccc(c(c1)I)F 207a_100015525214_100010188209 [0,2,0,0,0,0|2,0,0]=4 9942 B12R1.385 CCNCc1ccc(c(c1)I)F 2230a_100015525214_100010188208 [0,2,0,0,0,0|2,0,0]=4 9943 B12R1.385 CCNCc1ccc(c(c1)I)F 270004a_100015525214_100010188209 [0,2,0,0,0,0|2,0,0]=4 9944 B12R1.385 CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210202 [0,2,0,0,0,0|2,0,0]=4 9945 B12R1.385 CCNCc1ccc(c(c1)O)F 34a_100160469508_100000210202 [0,2,0,0,0,0|2,0,0]=4 9946 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [0,2,0,0,0,0|2,0,0]=4 9947 B12R1.385 CCOCc1ccc(c(c1)Br)Br 34a_100121572206_100012353900 [0,2,0,0,0,0|2,0,0]=4 9948 B12R1.385 CCOCc1ccc(c(c1)Br)C 34a_100000708995_100000210202 [0,2,0,0,0,0|2,0,0]=4 9949 B12R1.385 CCOCc1ccc(c(c1)Br)C 34a_100121572206_100012232412 [0,2,0,0,0,0|2,0,0]=4 9950 B12R1.385 CCOCc1ccc(c(c1)Br)C 7a_100000708995_100000210202 [0,2,0,0,0,0|2,0,0]=4 9951 B12R1.385 CCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000210202 [0,2,0,0,0,0|2,0,0]=4 9952 B12R1.385 CCOCc1ccc(c(c1)Br)Cl 34a_100121572206_100012353894 [0,2,0,0,0,0|2,0,0]=4 9953 B12R1.385 CCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000210202 [0,2,0,0,0,0|2,0,0]=4 9954 B12R1.385 CCOCc1ccc(c(c1)Br)F 34a_100000246287_100000210202 [0,2,0,0,0,0|2,0,0]=4 9955 B12R1.385 CCOCc1ccc(c(c1)Br)F 34a_100121572206_100011206884 [0,2,0,0,0,0|2,0,0]=4 9956 B12R1.385 CCOCc1ccc(c(c1)Br)F 7a_100000246287_100000210202 [0,2,0,0,0,0|2,0,0]=4 9957 B12R1.385 CCOCc1ccc(c(c1)C)Br 34a_100000718852_100000210202 [0,2,0,0,0,0|2,0,0]=4 9958 B12R1.385 CCOCc1ccc(c(c1)C)Br 34a_100121572206_100000727479 [0,2,0,0,0,0|2,0,0]=4 9959 B12R1.385 CCOCc1ccc(c(c1)C)Br 7a_100000718852_100000210202 [0,2,0,0,0,0|2,0,0]=4 9960 B12R1.385 CCOCc1ccc(c(c1)C)C 34a_100011215342_100000210202 [0,2,0,0,0,0|2,0,0]=4 9961 B12R1.385 CCOCc1ccc(c(c1)C)C 34a_100121572206_100000742320 [0,2,0,0,0,0|2,0,0]=4 9962 B12R1.385 CCOCc1ccc(c(c1)C)C 7a_100011215342_100000210202 [0,2,0,0,0,0|2,0,0]=4 9963 B12R1.385 CCOCc1ccc(c(c1)C)Cl 34a_100121572206_100012184735 [0,2,0,0,0,0|2,0,0]=4 9964 B12R1.385 CCOCc1ccc(c(c1)C)F 34a_100011219793_100000210202 [0,2,0,0,0,0|2,0,0]=4 9965 B12R1.385 CCOCc1ccc(c(c1)C)F 34a_100121572206_100011216667 [0,2,0,0,0,0|2,0,0]=4 9966 B12R1.385 CCOCc1ccc(c(c1)C)F 7a_100011219793_100000210202 [0,2,0,0,0,0|2,0,0]=4 9967 B12R1.385 CCOCc1ccc(c(c1)C)N 34a_200011997030_100000210202 [0,2,0,0,0,0|2,0,0]=4 9968 B12R1.385 CCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000210202 [0,2,0,0,0,0|2,0,0]=4 9969 B12R1.385 CCOCc1ccc(c(c1)Cl)Br 34a_100121572206_100012353895 [0,2,0,0,0,0|2,0,0]=4 9970 B12R1.385 CCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100000210202 [0,2,0,0,0,0|2,0,0]=4 9971 B12R1.385 CCOCc1ccc(c(c1)Cl)C 34a_100011290783_100000210202 [0,2,0,0,0,0|2,0,0]=4 9972 B12R1.385 CCOCc1ccc(c(c1)Cl)C 34a_100121572206_100011823929 [0,2,0,0,0,0|2,0,0]=4 9973 B12R1.385 CCOCc1ccc(c(c1)Cl)C 7a_100011290783_100000210202 [0,2,0,0,0,0|2,0,0]=4 9974 B12R1.385 CCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000210202 [0,2,0,0,0,0|2,0,0]=4 9975 B12R1.385 CCOCc1ccc(c(c1)Cl)Cl 34a_100121572206_100000184707 [0,2,0,0,0,0|2,0,0]=4 9976 B12R1.385 CCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000210202 [0,2,0,0,0,0|2,0,0]=4 9977 B12R1.385 CCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000210202 [0,2,0,0,0,0|2,0,0]=4 9978 B12R1.385 CCOCc1ccc(c(c1)Cl)F 34a_100121572206_100011934319 [0,2,0,0,0,0|2,0,0]=4 9979 B12R1.385 CCOCc1ccc(c(c1)Cl)F 7a_100011217911_100000210202 [0,2,0,0,0,0|2,0,0]=4 9980 B12R1.385 CCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000210202 [0,2,0,0,0,0|2,0,0]=4 9981 B12R1.385 CCOCc1ccc(c(c1)Cl)I 34a_100121572206_100012349665 [0,2,0,0,0,0|2,0,0]=4 9982 B12R1.385 CCOCc1ccc(c(c1)Cl)I 7a_100000718186_100000210202 [0,2,0,0,0,0|2,0,0]=4 9983 B12R1.385 CCOCc1ccc(c(c1)F)Br 34a_100011533735_100000210202 [0,2,0,0,0,0|2,0,0]=4 9984 B12R1.385 CCOCc1ccc(c(c1)F)Br 34a_100121572206_100000767054 [0,2,0,0,0,0|2,0,0]=4 9985 B12R1.385 CCOCc1ccc(c(c1)F)Br 7a_100011533735_100000210202 [0,2,0,0,0,0|2,0,0]=4 9986 B12R1.385 CCOCc1ccc(c(c1)F)C 34a_100000702247_100000210202 [0,2,0,0,0,0|2,0,0]=4 9987 B12R1.385 CCOCc1ccc(c(c1)F)C 34a_100121572206_100011217369 [0,2,0,0,0,0|2,0,0]=4 9988 B12R1.385 CCOCc1ccc(c(c1)F)C 7a_100000702247_100000210202 [0,2,0,0,0,0|2,0,0]=4 9989 B12R1.385 CCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000210202 [0,2,0,0,0,0|2,0,0]=4 9990 B12R1.385 CCOCc1ccc(c(c1)F)Cl 34a_100121572206_100011519011 [0,2,0,0,0,0|2,0,0]=4 9991 B12R1.385 CCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000210202 [0,2,0,0,0,0|2,0,0]=4 9992 B12R1.385 CCOCc1ccc(c(c1)F)F 34a_100011215442_100000210202 [0,2,0,0,0,0|2,0,0]=4 9993 B12R1.385 CCOCc1ccc(c(c1)F)F 34a_100121572206_100000757363 [0,2,0,0,0,0|2,0,0]=4 9994 B12R1.385 CCOCc1ccc(c(c1)F)F 7a_100011215442_100000210202 [0,2,0,0,0,0|2,0,0]=4 9995 B12R1.385 CCOCc1ccc(c(c1)F)I 34a_100010149597_100000210202 [0,2,0,0,0,0|2,0,0]=4 9996 B12R1.385 CCOCc1ccc(c(c1)F)I 34a_100121572206_100010149604 [0,2,0,0,0,0|2,0,0]=4 9997 B12R1.385 CCOCc1ccc(c(c1)F)I 7a_100010149597_100000210202 [0,2,0,0,0,0|2,0,0]=4 9998 B12R1.385 CCOCc1ccc(c(c1)F)N 34a_100011217239_100000210202 [0,2,0,0,0,0|2,0,0]=4 9999 B12R1.385 CCOCc1ccc(c(c1)I)Br 34a_100121572206_100010146616 [0,2,0,0,0,0|2,0,0]=4 10000 B12R1.385 CCOCc1ccc(c(c1)I)C 34a_100000050133_100000210202 [0,2,0,0,0,0|2,0,0]=4 10001 B12R1.385 CCOCc1ccc(c(c1)I)C 34a_100121572206_100010206137 [0,2,0,0,0,0|2,0,0]=4 10002 B12R1.385 CCOCc1ccc(c(c1)I)C 7a_100000050133_100000210202 [0,2,0,0,0,0|2,0,0]=4 10003 B12R1.385 CCOCc1ccc(c(c1)I)F 34a_100000049585_100000210202 [0,2,0,0,0,0|2,0,0]=4 10004 B12R1.385 CCOCc1ccc(c(c1)I)F 34a_100121572206_100010188208 [0,2,0,0,0,0|2,0,0]=4 10005 B12R1.385 CCOCc1ccc(c(c1)I)F 7a_100000049585_100000210202 [0,2,0,0,0,0|2,0,0]=4 10006 B12R1.385 CCOCc1ccc(c(c1)N)Br 34a_100012347568_100000210202 [0,2,0,0,0,0|2,0,0]=4 10007 B12R1.385 CCOCc1ccc(c(c1)N)C 34a_100000758420_100000210202 [0,2,0,0,0,0|2,0,0]=4 10008 B12R1.385 CCOCc1ccc(c(c1)N)Cl 34a_106256033963_100000210202 [0,2,0,0,0,0|2,0,0]=4 10009 B12R1.385 CCOCc1ccc(c(c1)N)F 34a_102125399562_100000210202 [0,2,0,0,0,0|2,0,0]=4 10010 B12R1.385 CCSCc1ccc(c(c1)Br)Br 62a_100000210202_100012353900 [0,2,0,0,0,0|2,0,0]=4 10011 B12R1.385 CCSCc1ccc(c(c1)Br)Br 62a_100012353900_100000210202 [0,2,0,0,0,0|2,0,0]=4 10012 B12R1.385 CCSCc1ccc(c(c1)Br)C 62a_100000210202_100012232412 [0,2,0,0,0,0|2,0,0]=4 10013 B12R1.385 CCSCc1ccc(c(c1)Br)C 62a_100012232412_100000210202 [0,2,0,0,0,0|2,0,0]=4 10014 B12R1.385 CCSCc1ccc(c(c1)Br)Cl 62a_100000210202_100012353894 [0,2,0,0,0,0|2,0,0]=4 10015 B12R1.385 CCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210202 [0,2,0,0,0,0|2,0,0]=4 10016 B12R1.385 CCSCc1ccc(c(c1)Br)F 62a_100000210202_100011206884 [0,2,0,0,0,0|2,0,0]=4 10017 B12R1.385 CCSCc1ccc(c(c1)Br)F 62a_100011206884_100000210202 [0,2,0,0,0,0|2,0,0]=4 10018 B12R1.385 CCSCc1ccc(c(c1)C)Br 62a_100000210202_100000727479 [0,2,0,0,0,0|2,0,0]=4 10019 B12R1.385 CCSCc1ccc(c(c1)C)Br 62a_100000727479_100000210202 [0,2,0,0,0,0|2,0,0]=4 10020 B12R1.385 CCSCc1ccc(c(c1)C)C 62a_100000210202_100000742320 [0,2,0,0,0,0|2,0,0]=4 10021 B12R1.385 CCSCc1ccc(c(c1)C)C 62a_100000742320_100000210202 [0,2,0,0,0,0|2,0,0]=4 10022 B12R1.385 CCSCc1ccc(c(c1)C)Cl 62a_100000210202_100012184735 [0,2,0,0,0,0|2,0,0]=4 10023 B12R1.385 CCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000210202 [0,2,0,0,0,0|2,0,0]=4 10024 B12R1.385 CCSCc1ccc(c(c1)C)F 62a_100000210202_100011216667 [0,2,0,0,0,0|2,0,0]=4 10025 B12R1.385 CCSCc1ccc(c(c1)C)F 62a_100011216667_100000210202 [0,2,0,0,0,0|2,0,0]=4 10026 B12R1.385 CCSCc1ccc(c(c1)Cl)Br 62a_100000210202_100012353895 [0,2,0,0,0,0|2,0,0]=4 10027 B12R1.385 CCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000210202 [0,2,0,0,0,0|2,0,0]=4 10028 B12R1.385 CCSCc1ccc(c(c1)Cl)C 62a_100000210202_100011823929 [0,2,0,0,0,0|2,0,0]=4 10029 B12R1.385 CCSCc1ccc(c(c1)Cl)C 62a_100011823929_100000210202 [0,2,0,0,0,0|2,0,0]=4 10030 B12R1.385 CCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210202 [0,2,0,0,0,0|2,0,0]=4 10031 B12R1.385 CCSCc1ccc(c(c1)Cl)Cl 62a_100000210202_100000184707 [0,2,0,0,0,0|2,0,0]=4 10032 B12R1.385 CCSCc1ccc(c(c1)Cl)F 62a_100000210202_100011934319 [0,2,0,0,0,0|2,0,0]=4 10033 B12R1.385 CCSCc1ccc(c(c1)Cl)F 62a_100000717365_100000210202 [0,2,0,0,0,0|2,0,0]=4 10034 B12R1.385 CCSCc1ccc(c(c1)Cl)I 62a_100000210202_100012349665 [0,2,0,0,0,0|2,0,0]=4 10035 B12R1.385 CCSCc1ccc(c(c1)Cl)I 62a_100012349665_100000210202 [0,2,0,0,0,0|2,0,0]=4 10036 B12R1.385 CCSCc1ccc(c(c1)F)Br 62a_100000210202_100000767054 [0,2,0,0,0,0|2,0,0]=4 10037 B12R1.385 CCSCc1ccc(c(c1)F)Br 62a_100000767054_100000210202 [0,2,0,0,0,0|2,0,0]=4 10038 B12R1.385 CCSCc1ccc(c(c1)F)C 62a_100000210202_100011217369 [0,2,0,0,0,0|2,0,0]=4 10039 B12R1.385 CCSCc1ccc(c(c1)F)C 62a_100011217369_100000210202 [0,2,0,0,0,0|2,0,0]=4 10040 B12R1.385 CCSCc1ccc(c(c1)F)Cl 62a_100000210202_100000716492 [0,2,0,0,0,0|2,0,0]=4 10041 B12R1.385 CCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000210202 [0,2,0,0,0,0|2,0,0]=4 10042 B12R1.385 CCSCc1ccc(c(c1)F)F 62a_100000210202_100000757363 [0,2,0,0,0,0|2,0,0]=4 10043 B12R1.385 CCSCc1ccc(c(c1)F)F 62a_100000757363_100000210202 [0,2,0,0,0,0|2,0,0]=4 10044 B12R1.385 CCSCc1ccc(c(c1)F)I 62a_100000210202_100010149604 [0,2,0,0,0,0|2,0,0]=4 10045 B12R1.385 CCSCc1ccc(c(c1)F)I 62a_100010149604_100000210202 [0,2,0,0,0,0|2,0,0]=4 10046 B12R1.385 CCSCc1ccc(c(c1)I)Br 62a_100000210202_100010146616 [0,2,0,0,0,0|2,0,0]=4 10047 B12R1.385 CCSCc1ccc(c(c1)I)Br 62a_100010146616_100000210202 [0,2,0,0,0,0|2,0,0]=4 10048 B12R1.385 CCSCc1ccc(c(c1)I)C 62a_100000210202_100010206137 [0,2,0,0,0,0|2,0,0]=4 10049 B12R1.385 CCSCc1ccc(c(c1)I)C 62a_100010206137_100000210202 [0,2,0,0,0,0|2,0,0]=4 10050 B12R1.385 CCSCc1ccc(c(c1)I)F 62a_100000210202_100010188208 [0,2,0,0,0,0|2,0,0]=4 10051 B12R1.385 CCSCc1ccc(c(c1)I)F 62a_100010188208_100000210202 [0,2,0,0,0,0|2,0,0]=4 10052 B12R1.385 CNCCc1ccc(c(c1)C)C 2230a_100020591374_200000210301 [0,2,0,0,0,0|2,0,0]=4 10053 B12R1.385 CNCCc1ccc(c(c1)C)C 34a_100020591374_200000210301 [0,2,0,0,0,0|2,0,0]=4 10054 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200000210301 [0,2,0,0,0,0|2,0,0]=4 10055 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100011713676 [0,2,0,0,0,0|2,0,0]=4 10056 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200000210301 [0,2,0,0,0,0|2,0,0]=4 10057 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100102657272_100011713676 [0,2,0,0,0,0|2,0,0]=4 10058 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 7a_106832991635_100011713676 [0,2,0,0,0,0|2,0,0]=4 10059 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_106832991635_100012361305 [0,2,0,0,0,0|2,0,0]=4 10060 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_200011997520_200000210301 [0,2,0,0,0,0|2,0,0]=4 10061 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_100102657272_100012361305 [0,2,0,0,0,0|2,0,0]=4 10062 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_200011997520_200000210301 [0,2,0,0,0,0|2,0,0]=4 10063 B12R1.385 CNCCc1ccc(c(c1)Cl)F 7a_106832991635_100012361305 [0,2,0,0,0,0|2,0,0]=4 10064 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_106832991635_100000690553 [0,2,0,0,0,0|2,0,0]=4 10065 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_200000706328_200000210301 [0,2,0,0,0,0|2,0,0]=4 10066 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_100102657272_100000690553 [0,2,0,0,0,0|2,0,0]=4 10067 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_200000706328_200000210301 [0,2,0,0,0,0|2,0,0]=4 10068 B12R1.385 CNCCc1ccc(c(c1)F)F 7a_106832991635_100000690553 [0,2,0,0,0,0|2,0,0]=4 10069 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [0,2,0,0,0,0|2,0,0]=4 10070 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [0,2,0,0,0,0|2,0,0]=4 10071 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200000210301 [0,2,0,0,0,0|2,0,0]=4 10072 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100138415774_100011713676 [0,2,0,0,0,0|2,0,0]=4 10073 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200000210301 [0,2,0,0,0,0|2,0,0]=4 10074 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100011830478_200000210301 [0,2,0,0,0,0|2,0,0]=4 10075 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100138415774_100012361305 [0,2,0,0,0,0|2,0,0]=4 10076 B12R1.385 COCCc1ccc(c(c1)Cl)F 7a_100011830478_200000210301 [0,2,0,0,0,0|2,0,0]=4 10077 B12R1.385 COCCc1ccc(c(c1)F)Br 34a_100012921202_200000210301 [0,2,0,0,0,0|2,0,0]=4 10078 B12R1.385 COCCc1ccc(c(c1)F)Br 7a_100012921202_200000210301 [0,2,0,0,0,0|2,0,0]=4 10079 B12R1.385 COCCc1ccc(c(c1)F)Cl 34a_100011934464_200000210301 [0,2,0,0,0,0|2,0,0]=4 10080 B12R1.385 COCCc1ccc(c(c1)F)Cl 7a_100011934464_200000210301 [0,2,0,0,0,0|2,0,0]=4 10081 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100000690376_200000210301 [0,2,0,0,0,0|2,0,0]=4 10082 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100138415774_100000690553 [0,2,0,0,0,0|2,0,0]=4 10083 B12R1.385 COCCc1ccc(c(c1)F)F 7a_100000690376_200000210301 [0,2,0,0,0,0|2,0,0]=4 10084 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200000210301 [0,2,0,0,0,0|2,0,0]=4 10085 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_200000210301_100011713676 [0,2,0,0,0,0|2,0,0]=4 10086 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_100012361305_200000210301 [0,2,0,0,0,0|2,0,0]=4 10087 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_200000210301_100012361305 [0,2,0,0,0,0|2,0,0]=4 10088 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_100000690553_200000210301 [0,2,0,0,0,0|2,0,0]=4 10089 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_200000210301_100000690553 [0,2,0,0,0,0|2,0,0]=4 10090 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [0,2,0,0,0,0|2,0,0]=4 10091 B12R1.385 Cc1cc(ccc1Br)CNCF 34a_100015205234_100015361967 [0,2,0,0,0,0|2,0,0]=4 10092 B12R1.385 Cc1cc(ccc1Br)COCF 34a_100000718852_100015361967 [0,2,0,0,0,0|2,0,0]=4 10093 B12R1.385 Cc1cc(ccc1Br)COCF 7a_100000718852_100015361967 [0,2,0,0,0,0|2,0,0]=4 10094 B12R1.385 Cc1cc(ccc1Br)CSCF 62a_100000727479_100015361967 [0,2,0,0,0,0|2,0,0]=4 10095 B12R1.385 Cc1cc(ccc1Br)CSCF 62a_100015361967_100000727479 [0,2,0,0,0,0|2,0,0]=4 10096 B12R1.385 Cc1cc(ccc1Br)NCCF 2230a_100000210723_100011217306 [0,2,0,0,0,0|2,0,0]=4 10097 B12R1.385 Cc1cc(ccc1Br)NCCF 34a_100000210723_100011217306 [0,2,0,0,0,0|2,0,0]=4 10098 B12R1.385 Cc1cc(ccc1Br)NCCF 7a_100000210723_100011217306 [0,2,0,0,0,0|2,0,0]=4 10099 B12R1.385 Cc1cc(ccc1Br)NCCO 2230a_100000210723_100000211926 [0,2,0,0,0,0|1,0,0]=3 10100 B12R1.385 Cc1cc(ccc1Br)NCCO 34a_100000210723_100000211926 [0,2,0,0,0,0|1,0,0]=3 10101 B12R1.385 Cc1cc(ccc1Br)NCCO 7a_100000210723_100000211926 [0,2,0,0,0,0|1,0,0]=3 10102 B12R1.385 Cc1cc(ccc1Br)OCCF 34a_100000690111_100011217306 [0,2,0,0,0,0|2,0,0]=4 10103 B12R1.385 Cc1cc(ccc1Br)OCCF 7a_100000690111_100011217306 [0,2,0,0,0,0|2,0,0]=4 10104 B12R1.385 Cc1cc(ccc1Br)OCCO 34a_100000690111_100000211926 [0,2,0,0,0,0|1,0,0]=3 10105 B12R1.385 Cc1cc(ccc1Br)OCCO 7a_100000690111_100000211926 [0,2,0,0,0,0|1,0,0]=3 10106 B12R1.385 Cc1cc(ccc1Br)SCCF 62a_100009813585_100011217306 [0,2,0,0,0,0|2,0,0]=4 10107 B12R1.385 Cc1cc(ccc1Br)SCCF 62a_100011217306_100009813585 [0,2,0,0,0,0|2,0,0]=4 10108 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100000211926_100009813585 [0,2,0,0,0,0|1,0,0]=3 10109 B12R1.385 Cc1cc(ccc1Br)SCCO 62a_100009813585_100000211926 [0,2,0,0,0,0|1,0,0]=3 10110 B12R1.385 Cc1cc(ccc1Cl)CSCF 62a_100012184735_100015361967 [0,2,0,0,0,0|2,0,0]=4 10111 B12R1.385 Cc1cc(ccc1Cl)CSCF 62a_100015361967_100012184735 [0,2,0,0,0,0|2,0,0]=4 10112 B12R1.385 Cc1cc(ccc1Cl)NCCF 2230a_100000187808_100011217306 [0,2,0,0,0,0|2,0,0]=4 10113 B12R1.385 Cc1cc(ccc1Cl)NCCF 34a_100000187808_100011217306 [0,2,0,0,0,0|2,0,0]=4 10114 B12R1.385 Cc1cc(ccc1Cl)NCCF 7a_100000187808_100011217306 [0,2,0,0,0,0|2,0,0]=4 10115 B12R1.385 Cc1cc(ccc1Cl)NCCO 2230a_100000187808_100000211926 [0,2,0,0,0,0|1,0,0]=3 10116 B12R1.385 Cc1cc(ccc1Cl)NCCO 34a_100000187808_100000211926 [0,2,0,0,0,0|1,0,0]=3 10117 B12R1.385 Cc1cc(ccc1Cl)NCCO 7a_100000187808_100000211926 [0,2,0,0,0,0|1,0,0]=3 10118 B12R1.385 Cc1cc(ccc1Cl)OCCF 34a_100000211092_100011217306 [0,2,0,0,0,0|2,0,0]=4 10119 B12R1.385 Cc1cc(ccc1Cl)OCCF 7a_100000211092_100011217306 [0,2,0,0,0,0|2,0,0]=4 10120 B12R1.385 Cc1cc(ccc1Cl)OCCO 34a_100000211092_100000211926 [0,2,0,0,0,0|1,0,0]=3 10121 B12R1.385 Cc1cc(ccc1Cl)OCCO 7a_100000211092_100000211926 [0,2,0,0,0,0|1,0,0]=3 10122 B12R1.385 Cc1cc(ccc1Cl)SCCF 62a_100000049509_100011217306 [0,2,0,0,0,0|2,0,0]=4 10123 B12R1.385 Cc1cc(ccc1Cl)SCCF 62a_100011217306_100000049509 [0,2,0,0,0,0|2,0,0]=4 10124 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000049509_100000211926 [0,2,0,0,0,0|1,0,0]=3 10125 B12R1.385 Cc1cc(ccc1Cl)SCCO 62a_100000211926_100000049509 [0,2,0,0,0,0|1,0,0]=3 10126 B12R1.385 Cc1cc(ccc1F)CNCF 34a_100000239911_100015361967 [0,2,0,0,0,0|2,0,0]=4 10127 B12R1.385 Cc1cc(ccc1F)COCF 34a_100011219793_100015361967 [0,2,0,0,0,0|2,0,0]=4 10128 B12R1.385 Cc1cc(ccc1F)COCF 7a_100011219793_100015361967 [0,2,0,0,0,0|2,0,0]=4 10129 B12R1.385 Cc1cc(ccc1F)CSCF 62a_100011216667_100015361967 [0,2,0,0,0,0|2,0,0]=4 10130 B12R1.385 Cc1cc(ccc1F)CSCF 62a_100015361967_100011216667 [0,2,0,0,0,0|2,0,0]=4 10131 B12R1.385 Cc1cc(ccc1F)NCCF 2230a_100000750164_100011217306 [0,2,0,0,0,0|2,0,0]=4 10132 B12R1.385 Cc1cc(ccc1F)NCCF 34a_100000750164_100011217306 [0,2,0,0,0,0|2,0,0]=4 10133 B12R1.385 Cc1cc(ccc1F)NCCF 7a_100000750164_100011217306 [0,2,0,0,0,0|2,0,0]=4 10134 B12R1.385 Cc1cc(ccc1F)NCCO 2230a_100000750164_100000211926 [0,2,0,0,0,0|1,0,0]=3 10135 B12R1.385 Cc1cc(ccc1F)NCCO 34a_100000750164_100000211926 [0,2,0,0,0,0|1,0,0]=3 10136 B12R1.385 Cc1cc(ccc1F)NCCO 7a_100000750164_100000211926 [0,2,0,0,0,0|1,0,0]=3 10137 B12R1.385 Cc1cc(ccc1F)OCCF 34a_100000751312_100011217306 [0,2,0,0,0,0|2,0,0]=4 10138 B12R1.385 Cc1cc(ccc1F)OCCF 7a_100000751312_100011217306 [0,2,0,0,0,0|2,0,0]=4 10139 B12R1.385 Cc1cc(ccc1F)OCCO 34a_100000751312_100000211926 [0,2,0,0,0,0|1,0,0]=3 10140 B12R1.385 Cc1cc(ccc1F)OCCO 7a_100000751312_100000211926 [0,2,0,0,0,0|1,0,0]=3 10141 B12R1.385 Cc1cc(ccc1F)SCCF 62a_100011217306_100011218330 [0,2,0,0,0,0|2,0,0]=4 10142 B12R1.385 Cc1cc(ccc1F)SCCF 62a_100011218330_100011217306 [0,2,0,0,0,0|2,0,0]=4 10143 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100000211926_100011218330 [0,2,0,0,0,0|1,0,0]=3 10144 B12R1.385 Cc1cc(ccc1F)SCCO 62a_100011218330_100000211926 [0,2,0,0,0,0|1,0,0]=3 10145 B12R1.385 Cc1cc(ccc1I)NCCF 34a_100000198070_100011217306 [0,2,0,0,0,0|2,0,0]=4 10146 B12R1.385 Cc1cc(ccc1I)NCCF 7a_100000198070_100011217306 [0,2,0,0,0,0|2,0,0]=4 10147 B12R1.385 Cc1cc(ccc1I)NCCO 34a_100000198070_100000211926 [0,2,0,0,0,0|1,0,0]=3 10148 B12R1.385 Cc1cc(ccc1I)NCCO 7a_100000198070_100000211926 [0,2,0,0,0,0|1,0,0]=3 10149 B12R1.385 Cc1cc(ccc1I)OCCF 34a_100000729255_100011217306 [0,2,0,0,0,0|2,0,0]=4 10150 B12R1.385 Cc1cc(ccc1I)OCCF 7a_100000729255_100011217306 [0,2,0,0,0,0|2,0,0]=4 10151 B12R1.385 Cc1cc(ccc1I)OCCO 34a_100000729255_100000211926 [0,2,0,0,0,0|1,0,0]=3 10152 B12R1.385 Cc1cc(ccc1I)OCCO 7a_100000729255_100000211926 [0,2,0,0,0,0|1,0,0]=3 10153 B12R1.385 Cc1cc(ccc1N)COCF 34a_200011997030_100015361967 [0,2,0,0,0,0|2,0,0]=4 10154 B12R1.385 Cc1cc(ccc1N)OCCF 34a_100000756630_100011217306 [0,2,0,0,0,0|2,0,0]=4 10155 B12R1.385 Cc1cc(ccc1N)OCCF 7a_100000756630_100011217306 [0,2,0,0,0,0|2,0,0]=4 10156 B12R1.385 Cc1cc(ccc1N)OCCO 34a_100000756630_100000211926 [0,2,0,0,0,0|1,0,0]=3 10157 B12R1.385 Cc1cc(ccc1N)OCCO 7a_100000756630_100000211926 [0,2,0,0,0,0|1,0,0]=3 10158 B12R1.385 Cc1cc(ccc1N)SCCF 62a_100000211769_100011217306 [0,2,0,0,0,0|2,0,0]=4 10159 B12R1.385 Cc1cc(ccc1N)SCCF 62a_100011217306_100000211769 [0,2,0,0,0,0|2,0,0]=4 10160 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211769_100000211926 [0,2,0,0,0,0|1,0,0]=3 10161 B12R1.385 Cc1cc(ccc1N)SCCO 62a_100000211926_100000211769 [0,2,0,0,0,0|1,0,0]=3 10162 B12R1.385 Cc1cc(ccc1O)NCCF 34a_100011218179_100011217306 [0,2,0,0,0,0|2,0,0]=4 10163 B12R1.385 Cc1cc(ccc1O)NCCF 7a_100011218179_100011217306 [0,2,0,0,0,0|2,0,0]=4 10164 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [0,2,0,0,0,0|1,0,0]=3 10165 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [0,2,0,0,0,0|1,0,0]=3 10166 B12R1.385 Cc1cc(ccc1O)SCCF 62a_100011217306_100000186361 [0,2,0,0,0,0|2,0,0]=4 10167 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [0,2,0,0,0,0|1,0,0]=3 10168 B12R1.385 Cc1cc(cnc1Br)OCCO 34a_100012000486_100000211926 [0,2,0,0,0,0|2,0,0]=4 10169 B12R1.385 Cc1cc(cnc1Br)OCCO 7a_100012000486_100000211926 [0,2,0,0,0,0|2,0,0]=4 10170 B12R1.385 Cc1cc(cnc1Br)SCCO 62a_100000211926_100009816107 [0,2,0,0,0,0|2,0,0]=4 10171 B12R1.385 Cc1cc(cnc1Br)SCCO 62a_100009816107_100000211926 [0,2,0,0,0,0|2,0,0]=4 10172 B12R1.385 Cc1cc(cnc1C)OCCO 34a_100009854398_100000211926 [0,2,0,0,0,0|2,0,0]=4 10173 B12R1.385 Cc1cc(cnc1C)OCCO 7a_100009854398_100000211926 [0,2,0,0,0,0|2,0,0]=4 10174 B12R1.385 Cc1cc(cnc1C)SCCO 62a_100000211926_100000697892 [0,2,0,0,0,0|2,0,0]=4 10175 B12R1.385 Cc1cc(cnc1C)SCCO 62a_100000697892_100000211926 [0,2,0,0,0,0|2,0,0]=4 10176 B12R1.385 Cc1cc(cnc1Cl)OCCO 34a_100012002680_100000211926 [0,2,0,0,0,0|2,0,0]=4 10177 B12R1.385 Cc1cc(cnc1Cl)OCCO 7a_100012002680_100000211926 [0,2,0,0,0,0|2,0,0]=4 10178 B12R1.385 Cc1cc(cnc1Cl)SCCO 62a_100000211926_100009922867 [0,2,0,0,0,0|2,0,0]=4 10179 B12R1.385 Cc1cc(cnc1Cl)SCCO 62a_100009922867_100000211926 [0,2,0,0,0,0|2,0,0]=4 10180 B12R1.385 Cc1cc(cnc1F)OCCO 34a_100000094615_100000211926 [0,2,0,0,0,0|2,0,0]=4 10181 B12R1.385 Cc1cc(cnc1F)OCCO 7a_100000094615_100000211926 [0,2,0,0,0,0|2,0,0]=4 10182 B12R1.385 Cc1cc(cnc1F)SCCO 62a_100000211926_100000709442 [0,2,0,0,0,0|2,0,0]=4 10183 B12R1.385 Cc1cc(cnc1F)SCCO 62a_100000709442_100000211926 [0,2,0,0,0,0|2,0,0]=4 10184 B12R1.385 Cc1cc(cnc1N)SCCO 62a_100000211926_100000684428 [0,2,0,0,0,0|2,0,0]=4 10185 B12R1.385 Cc1cc(cnc1N)SCCO 62a_100000684428_100000211926 [0,2,0,0,0,0|2,0,0]=4 10186 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000211926_100000685391 [0,2,0,0,0,0|2,0,0]=4 10187 B12R1.385 Cc1cc(cnc1O)SCCO 62a_100000685391_100000211926 [0,2,0,0,0,0|2,0,0]=4 10188 B12R1.385 Cc1cc(ncc1Br)OCCO 34a_100000766222_100000211926 [0,2,0,0,0,0|2,0,0]=4 10189 B12R1.385 Cc1cc(ncc1Br)SCCO 62a_100000211926_100012356354 [0,2,0,0,0,0|2,0,0]=4 10190 B12R1.385 Cc1cc(ncc1Br)SCCO 62a_100012356354_100000211926 [0,2,0,0,0,0|2,0,0]=4 10191 B12R1.385 Cc1cc(ncc1Cl)OCCO 34a_200000085746_100000211926 [0,2,0,0,0,0|2,0,0]=4 10192 B12R1.385 Cc1cc(ncc1F)SCCO 62a_100000211926_100009818257 [0,2,0,0,0,0|2,0,0]=4 10193 B12R1.385 Cc1cc(ncc1F)SCCO 62a_100009818257_100000211926 [0,2,0,0,0,0|2,0,0]=4 10194 B12R1.385 Cc1cc(ncc1N)SCCO 62a_100000067204_100000211926 [0,2,0,0,0,0|2,0,0]=4 10195 B12R1.385 Cc1cc(ncc1N)SCCO 62a_100000211926_100000067204 [0,2,0,0,0,0|2,0,0]=4 10196 B12R1.385 Cc1cc(ncc1O)NCCO 271570a_203496583355_100012352624 [0,2,0,0,0,0|2,0,0]=4 10197 B12R1.385 Cc1cc(ncc1O)SCCO 62a_100000211926_100000692680 [0,2,0,0,0,0|2,0,0]=4 10198 B12R1.385 Cc1ccc(c[n+]1[O-])SCCO 62a_100000211926_100000703231 [0,2,0,0,0,0|2,0,0]=4 10199 B12R1.385 Cc1ccc(cc1Br)COCF 34a_100000708995_100015361967 [0,2,0,0,0,0|2,0,0]=4 10200 B12R1.385 Cc1ccc(cc1Br)COCF 7a_100000708995_100015361967 [0,2,0,0,0,0|2,0,0]=4 10201 B12R1.385 Cc1ccc(cc1Br)CSCF 62a_100012232412_100015361967 [0,2,0,0,0,0|2,0,0]=4 10202 B12R1.385 Cc1ccc(cc1Br)CSCF 62a_100015361967_100012232412 [0,2,0,0,0,0|2,0,0]=4 10203 B12R1.385 Cc1ccc(cc1Br)NCCF 2230a_100000736455_100011217306 [0,2,0,0,0,0|2,0,0]=4 10204 B12R1.385 Cc1ccc(cc1Br)NCCF 34a_100000736455_100011217306 [0,2,0,0,0,0|2,0,0]=4 10205 B12R1.385 Cc1ccc(cc1Br)NCCF 7a_100000736455_100011217306 [0,2,0,0,0,0|2,0,0]=4 10206 B12R1.385 Cc1ccc(cc1Br)NCCO 2230a_100000736455_100000211926 [0,2,0,0,0,0|1,0,0]=3 10207 B12R1.385 Cc1ccc(cc1Br)NCCO 34a_100000736455_100000211926 [0,2,0,0,0,0|1,0,0]=3 10208 B12R1.385 Cc1ccc(cc1Br)NCCO 7a_100000736455_100000211926 [0,2,0,0,0,0|1,0,0]=3 10209 B12R1.385 Cc1ccc(cc1Br)OCCF 34a_100011380479_100011217306 [0,2,0,0,0,0|2,0,0]=4 10210 B12R1.385 Cc1ccc(cc1Br)OCCF 7a_100011380479_100011217306 [0,2,0,0,0,0|2,0,0]=4 10211 B12R1.385 Cc1ccc(cc1Br)OCCO 34a_100011380479_100000211926 [0,2,0,0,0,0|1,0,0]=3 10212 B12R1.385 Cc1ccc(cc1Br)OCCO 7a_100011380479_100000211926 [0,2,0,0,0,0|1,0,0]=3 10213 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011217306_100011847877 [0,2,0,0,0,0|2,0,0]=4 10214 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011847877_100011217306 [0,2,0,0,0,0|2,0,0]=4 10215 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100000211926_100011847877 [0,2,0,0,0,0|1,0,0]=3 10216 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100011847877_100000211926 [0,2,0,0,0,0|1,0,0]=3 10217 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 2230a_100020591374_200025704644 [0,2,0,0,0,0|2,0,0]=4 10218 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 34a_100020591374_200025704644 [0,2,0,0,0,0|2,0,0]=4 10219 B12R1.385 Cc1ccc(cc1C)CNCF 34a_100025706692_100015361967 [0,2,0,0,0,0|2,0,0]=4 10220 B12R1.385 Cc1ccc(cc1C)COCF 34a_100011215342_100015361967 [0,2,0,0,0,0|2,0,0]=4 10221 B12R1.385 Cc1ccc(cc1C)COCF 7a_100011215342_100015361967 [0,2,0,0,0,0|2,0,0]=4 10222 B12R1.385 Cc1ccc(cc1C)CSCF 62a_100000742320_100015361967 [0,2,0,0,0,0|2,0,0]=4 10223 B12R1.385 Cc1ccc(cc1C)CSCF 62a_100015361967_100000742320 [0,2,0,0,0,0|2,0,0]=4 10224 B12R1.385 Cc1ccc(cc1C)NCCF 2230a_100000724040_100011217306 [0,2,0,0,0,0|2,0,0]=4 10225 B12R1.385 Cc1ccc(cc1C)NCCF 34a_100000724040_100011217306 [0,2,0,0,0,0|2,0,0]=4 10226 B12R1.385 Cc1ccc(cc1C)NCCF 7a_100000724040_100011217306 [0,2,0,0,0,0|2,0,0]=4 10227 B12R1.385 Cc1ccc(cc1C)NCCO 2230a_100000724040_100000211926 [0,2,0,0,0,0|1,0,0]=3 10228 B12R1.385 Cc1ccc(cc1C)NCCO 34a_100000724040_100000211926 [0,2,0,0,0,0|1,0,0]=3 10229 B12R1.385 Cc1ccc(cc1C)NCCO 7a_100000724040_100000211926 [0,2,0,0,0,0|1,0,0]=3 10230 B12R1.385 Cc1ccc(cc1C)OCCF 34a_100000210932_100011217306 [0,2,0,0,0,0|2,0,0]=4 10231 B12R1.385 Cc1ccc(cc1C)OCCF 7a_100000210932_100011217306 [0,2,0,0,0,0|2,0,0]=4 10232 B12R1.385 Cc1ccc(cc1C)OCCO 34a_100000210932_100000211926 [0,2,0,0,0,0|1,0,0]=3 10233 B12R1.385 Cc1ccc(cc1C)OCCO 7a_100000210932_100000211926 [0,2,0,0,0,0|1,0,0]=3 10234 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011215607_100011217306 [0,2,0,0,0,0|2,0,0]=4 10235 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011217306_100011215607 [0,2,0,0,0,0|2,0,0]=4 10236 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100000211926_100011215607 [0,2,0,0,0,0|1,0,0]=3 10237 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100011215607_100000211926 [0,2,0,0,0,0|1,0,0]=3 10238 B12R1.385 Cc1ccc(cc1Cl)CNCF 34a_102495364989_100015361967 [0,2,0,0,0,0|2,0,0]=4 10239 B12R1.385 Cc1ccc(cc1Cl)COCF 34a_100011290783_100015361967 [0,2,0,0,0,0|2,0,0]=4 10240 B12R1.385 Cc1ccc(cc1Cl)COCF 7a_100011290783_100015361967 [0,2,0,0,0,0|2,0,0]=4 10241 B12R1.385 Cc1ccc(cc1Cl)CSCF 62a_100011823929_100015361967 [0,2,0,0,0,0|2,0,0]=4 10242 B12R1.385 Cc1ccc(cc1Cl)CSCF 62a_100015361967_100011823929 [0,2,0,0,0,0|2,0,0]=4 10243 B12R1.385 Cc1ccc(cc1Cl)NCCF 2230a_100000188892_100011217306 [0,2,0,0,0,0|2,0,0]=4 10244 B12R1.385 Cc1ccc(cc1Cl)NCCF 34a_100000188892_100011217306 [0,2,0,0,0,0|2,0,0]=4 10245 B12R1.385 Cc1ccc(cc1Cl)NCCF 7a_100000188892_100011217306 [0,2,0,0,0,0|2,0,0]=4 10246 B12R1.385 Cc1ccc(cc1Cl)NCCO 2230a_100000188892_100000211926 [0,2,0,0,0,0|1,0,0]=3 10247 B12R1.385 Cc1ccc(cc1Cl)NCCO 34a_100000188892_100000211926 [0,2,0,0,0,0|1,0,0]=3 10248 B12R1.385 Cc1ccc(cc1Cl)NCCO 7a_100000188892_100000211926 [0,2,0,0,0,0|1,0,0]=3 10249 B12R1.385 Cc1ccc(cc1Cl)OCCF 34a_100011265682_100011217306 [0,2,0,0,0,0|2,0,0]=4 10250 B12R1.385 Cc1ccc(cc1Cl)OCCF 7a_100011265682_100011217306 [0,2,0,0,0,0|2,0,0]=4 10251 B12R1.385 Cc1ccc(cc1Cl)OCCO 34a_100011265682_100000211926 [0,2,0,0,0,0|1,0,0]=3 10252 B12R1.385 Cc1ccc(cc1Cl)OCCO 7a_100011265682_100000211926 [0,2,0,0,0,0|1,0,0]=3 10253 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011216363_100011217306 [0,2,0,0,0,0|2,0,0]=4 10254 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011217306_100011216363 [0,2,0,0,0,0|2,0,0]=4 10255 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100000211926_100011216363 [0,2,0,0,0,0|1,0,0]=3 10256 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100011216363_100000211926 [0,2,0,0,0,0|1,0,0]=3 10257 B12R1.385 Cc1ccc(cc1F)CNCF 34a_100102708794_100015361967 [0,2,0,0,0,0|2,0,0]=4 10258 B12R1.385 Cc1ccc(cc1F)COCF 34a_100000702247_100015361967 [0,2,0,0,0,0|2,0,0]=4 10259 B12R1.385 Cc1ccc(cc1F)COCF 7a_100000702247_100015361967 [0,2,0,0,0,0|2,0,0]=4 10260 B12R1.385 Cc1ccc(cc1F)CSCF 62a_100011217369_100015361967 [0,2,0,0,0,0|2,0,0]=4 10261 B12R1.385 Cc1ccc(cc1F)CSCF 62a_100015361967_100011217369 [0,2,0,0,0,0|2,0,0]=4 10262 B12R1.385 Cc1ccc(cc1F)NCCF 2230a_100000210958_100011217306 [0,2,0,0,0,0|2,0,0]=4 10263 B12R1.385 Cc1ccc(cc1F)NCCF 34a_100000210958_100011217306 [0,2,0,0,0,0|2,0,0]=4 10264 B12R1.385 Cc1ccc(cc1F)NCCF 7a_100000210958_100011217306 [0,2,0,0,0,0|2,0,0]=4 10265 B12R1.385 Cc1ccc(cc1F)NCCO 2230a_100000210958_100000211926 [0,2,0,0,0,0|1,0,0]=3 10266 B12R1.385 Cc1ccc(cc1F)NCCO 34a_100000210958_100000211926 [0,2,0,0,0,0|1,0,0]=3 10267 B12R1.385 Cc1ccc(cc1F)NCCO 7a_100000210958_100000211926 [0,2,0,0,0,0|1,0,0]=3 10268 B12R1.385 Cc1ccc(cc1F)OCCF 34a_100000722560_100011217306 [0,2,0,0,0,0|2,0,0]=4 10269 B12R1.385 Cc1ccc(cc1F)OCCF 7a_100000722560_100011217306 [0,2,0,0,0,0|2,0,0]=4 10270 B12R1.385 Cc1ccc(cc1F)OCCO 34a_100000722560_100000211926 [0,2,0,0,0,0|1,0,0]=3 10271 B12R1.385 Cc1ccc(cc1F)OCCO 7a_100000722560_100000211926 [0,2,0,0,0,0|1,0,0]=3 10272 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100000720648_100011217306 [0,2,0,0,0,0|2,0,0]=4 10273 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100011217306_100000720648 [0,2,0,0,0,0|2,0,0]=4 10274 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000211926_100000720648 [0,2,0,0,0,0|1,0,0]=3 10275 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000720648_100000211926 [0,2,0,0,0,0|1,0,0]=3 10276 B12R1.385 Cc1ccc(cc1I)COCF 34a_100000050133_100015361967 [0,2,0,0,0,0|2,0,0]=4 10277 B12R1.385 Cc1ccc(cc1I)COCF 7a_100000050133_100015361967 [0,2,0,0,0,0|2,0,0]=4 10278 B12R1.385 Cc1ccc(cc1I)CSCF 62a_100010206137_100015361967 [0,2,0,0,0,0|2,0,0]=4 10279 B12R1.385 Cc1ccc(cc1I)CSCF 62a_100015361967_100010206137 [0,2,0,0,0,0|2,0,0]=4 10280 B12R1.385 Cc1ccc(cc1I)NCCF 34a_100000184131_100011217306 [0,2,0,0,0,0|2,0,0]=4 10281 B12R1.385 Cc1ccc(cc1I)NCCF 7a_100000184131_100011217306 [0,2,0,0,0,0|2,0,0]=4 10282 B12R1.385 Cc1ccc(cc1I)NCCO 34a_100000184131_100000211926 [0,2,0,0,0,0|1,0,0]=3 10283 B12R1.385 Cc1ccc(cc1I)NCCO 7a_100000184131_100000211926 [0,2,0,0,0,0|1,0,0]=3 10284 B12R1.385 Cc1ccc(cc1N)COCF 34a_100000758420_100015361967 [0,2,0,0,0,0|2,0,0]=4 10285 B12R1.385 Cc1ccc(cc1N)OCCF 34a_100011216113_100011217306 [0,2,0,0,0,0|2,0,0]=4 10286 B12R1.385 Cc1ccc(cc1N)OCCF 7a_100011216113_100011217306 [0,2,0,0,0,0|2,0,0]=4 10287 B12R1.385 Cc1ccc(cc1N)OCCO 34a_100011216113_100000211926 [0,2,0,0,0,0|1,0,0]=3 10288 B12R1.385 Cc1ccc(cc1N)OCCO 7a_100011216113_100000211926 [0,2,0,0,0,0|1,0,0]=3 10289 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100000761890_100011217306 [0,2,0,0,0,0|2,0,0]=4 10290 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100011217306_100000761890 [0,2,0,0,0,0|2,0,0]=4 10291 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000211926_100000761890 [0,2,0,0,0,0|1,0,0]=3 10292 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000761890_100000211926 [0,2,0,0,0,0|1,0,0]=3 10293 B12R1.385 Cc1ccc(cc1O)NCCF 34a_100000759471_100011217306 [0,2,0,0,0,0|2,0,0]=4 10294 B12R1.385 Cc1ccc(cc1O)NCCF 7a_100000759471_100011217306 [0,2,0,0,0,0|2,0,0]=4 10295 B12R1.385 Cc1ccc(cc1O)NCCO 34a_100000759471_100000211926 [0,2,0,0,0,0|1,0,0]=3 10296 B12R1.385 Cc1ccc(cc1O)NCCO 7a_100000759471_100000211926 [0,2,0,0,0,0|1,0,0]=3 10297 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100000685420_100011217306 [0,2,0,0,0,0|2,0,0]=4 10298 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100011217306_100000685420 [0,2,0,0,0,0|2,0,0]=4 10299 B12R1.385 Cc1ccc(cc1O)SCCO 271570a_203496583355_100010989109 [0,2,0,0,0,0|1,0,0]=3 10300 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000211926_100000685420 [0,2,0,0,0,0|1,0,0]=3 10301 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000685420_100000211926 [0,2,0,0,0,0|1,0,0]=3 10302 B12R1.385 Cc1ccc(nc1C)SCCO 62a_100000103781_100000211926 [0,2,0,0,0,0|2,0,0]=4 10303 B12R1.385 Cc1ccc(nc1C)SCCO 62a_100000211926_100000103781 [0,2,0,0,0,0|2,0,0]=4 10304 B12R1.385 Cc1ccc(nc1N)SCCO 62a_100000211926_100009857032 [0,2,0,0,0,0|2,0,0]=4 10305 B12R1.385 Cc1ccc(nc1N)SCCO 62a_100009857032_100000211926 [0,2,0,0,0,0|2,0,0]=4 10306 B12R1.385 Cc1cnc(cc1Br)OCCO 34a_100009831917_100000211926 [0,2,0,0,0,0|2,0,0]=4 10307 B12R1.385 Cc1cnc(cc1C)SCCO 62a_100000211926_100009850809 [0,2,0,0,0,0|2,0,0]=4 10308 B12R1.385 Cc1cnc(cc1C)SCCO 62a_100009850809_100000211926 [0,2,0,0,0,0|2,0,0]=4 10309 B12R1.385 Cc1cnc(cc1F)NCCO 27a_100000210304_100009841206 [0,2,0,0,0,0|2,0,0]=4 10310 B12R1.385 Cc1cnc(cc1F)SCCO 62a_100000211926_100009841206 [0,2,0,0,0,0|2,0,0]=4 10311 B12R1.385 Cc1cnc(cc1F)SCCO 62a_100009841206_100000211926 [0,2,0,0,0,0|2,0,0]=4 10312 B12R1.385 Cc1cnc(cc1N)SCCO 62a_100000126663_100000211926 [0,2,0,0,0,0|2,0,0]=4 10313 B12R1.385 Cc1cnc(cc1N)SCCO 62a_100000211926_100000126663 [0,2,0,0,0,0|2,0,0]=4 10314 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000211926_100000704368 [0,2,0,0,0,0|2,0,0]=4 10315 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000704368_100000211926 [0,2,0,0,0,0|2,0,0]=4 10316 B12R1.385 Cc1nc(ccc1Br)OCCO 34a_100000691680_100000211926 [0,2,0,0,0,0|2,0,0]=4 10317 B12R1.385 Cc1nc(ccc1Br)SCCO 62a_100000211926_100012360386 [0,2,0,0,0,0|2,0,0]=4 10318 B12R1.385 Cc1nc(ccc1Br)SCCO 62a_100012360386_100000211926 [0,2,0,0,0,0|2,0,0]=4 10319 B12R1.385 Cc1nc(ccc1Cl)OCCO 34a_200009863735_100000211926 [0,2,0,0,0,0|2,0,0]=4 10320 B12R1.385 Cc1nc(ccc1F)SCCO 62a_100000211926_100009814307 [0,2,0,0,0,0|2,0,0]=4 10321 B12R1.385 Cc1nc(ccc1F)SCCO 62a_100009814307_100000211926 [0,2,0,0,0,0|2,0,0]=4 10322 B12R1.385 Cc1nc(ccc1N)SCCO 62a_100000211926_100000720120 [0,2,0,0,0,0|2,0,0]=4 10323 B12R1.385 Cc1nc(ccc1N)SCCO 62a_100000720120_100000211926 [0,2,0,0,0,0|2,0,0]=4 10324 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100000211926_100010233687 [0,2,0,0,0,0|2,0,0]=4 10325 B12R1.385 Cc1nc(ccc1O)SCCO 62a_100010233687_100000211926 [0,2,0,0,0,0|2,0,0]=4 10326 B12R1.385 Cc1ncc(cc1Br)OCCO 34a_100009819603_100000211926 [0,2,0,0,0,0|2,0,0]=4 10327 B12R1.385 Cc1ncc(cc1Br)OCCO 7a_100009819603_100000211926 [0,2,0,0,0,0|2,0,0]=4 10328 B12R1.385 Cc1ncc(cc1F)SCCO 62a_100000211926_100009845756 [0,2,0,0,0,0|2,0,0]=4 10329 B12R1.385 Cc1ncc(cc1F)SCCO 62a_100009845756_100000211926 [0,2,0,0,0,0|2,0,0]=4 10330 B12R1.385 Cc1ncc(cc1N)SCCO 62a_100000211926_100011999542 [0,2,0,0,0,0|2,0,0]=4 10331 B12R1.385 Cc1ncc(cc1N)SCCO 62a_100011999542_100000211926 [0,2,0,0,0,0|2,0,0]=4 10332 B12R1.385 Cc1ncc(cc1O)SCCO 62a_100000211926_100009864810 [0,2,0,0,0,0|2,0,0]=4 10333 B12R1.385 Cc1ncc(cc1O)SCCO 62a_100009864810_100000211926 [0,2,0,0,0,0|2,0,0]=4 10334 B12R1.385 Cn1cc(ccc1=O)SCCO 62a_100000211926_100011245003 [0,2,0,0,0,0|2,0,0]=4 10335 B12R1.385 Cn1cc(ccc1=O)SCCO 62a_100011245003_100000211926 [0,2,0,0,0,0|2,0,0]=4 10336 B12R1.385 Cn1ccc(cc1=O)NCCO 27a_100000210304_100009820031 [0,2,0,0,0,0|2,0,0]=4 10337 B12R1.385 Cn1ccc(cc1=O)SCCO 62a_100000211926_100009820031 [0,2,0,0,0,0|2,0,0]=4 10338 B12R1.385 Cn1ccc(cc1=O)SCCO 62a_100009820031_100000211926 [0,2,0,0,0,0|2,0,0]=4 10339 B12R1.385 FCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100011217306 [0,2,0,0,0,0|2,0,0]=4 10340 B12R1.385 FCCNc1ccc(c(c1)Br)Br 34a_100011306057_100011217306 [0,2,0,0,0,0|2,0,0]=4 10341 B12R1.385 FCCNc1ccc(c(c1)Br)Br 7a_100011306057_100011217306 [0,2,0,0,0,0|2,0,0]=4 10342 B12R1.385 FCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011217306 [0,2,0,0,0,0|2,0,0]=4 10343 B12R1.385 FCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011217306 [0,2,0,0,0,0|2,0,0]=4 10344 B12R1.385 FCCNc1ccc(c(c1)Br)F 2230a_100000760356_100011217306 [0,2,0,0,0,0|2,0,0]=4 10345 B12R1.385 FCCNc1ccc(c(c1)Br)F 34a_100000760356_100011217306 [0,2,0,0,0,0|2,0,0]=4 10346 B12R1.385 FCCNc1ccc(c(c1)Br)F 7a_100000760356_100011217306 [0,2,0,0,0,0|2,0,0]=4 10347 B12R1.385 FCCNc1ccc(c(c1)Br)I 34a_100000750458_100011217306 [0,2,0,0,0,0|2,0,0]=4 10348 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011217306 [0,2,0,0,0,0|2,0,0]=4 10349 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100011217306 [0,2,0,0,0,0|2,0,0]=4 10350 B12R1.385 FCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100011217306 [0,2,0,0,0,0|2,0,0]=4 10351 B12R1.385 FCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011217306 [0,2,0,0,0,0|2,0,0]=4 10352 B12R1.385 FCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011217306 [0,2,0,0,0,0|2,0,0]=4 10353 B12R1.385 FCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100011217306 [0,2,0,0,0,0|2,0,0]=4 10354 B12R1.385 FCCNc1ccc(c(c1)Cl)F 34a_100000211060_100011217306 [0,2,0,0,0,0|2,0,0]=4 10355 B12R1.385 FCCNc1ccc(c(c1)Cl)F 7a_100000211060_100011217306 [0,2,0,0,0,0|2,0,0]=4 10356 B12R1.385 FCCNc1ccc(c(c1)Cl)I 34a_100000761885_100011217306 [0,2,0,0,0,0|2,0,0]=4 10357 B12R1.385 FCCNc1ccc(c(c1)F)Br 2230a_100000759894_100011217306 [0,2,0,0,0,0|2,0,0]=4 10358 B12R1.385 FCCNc1ccc(c(c1)F)Br 34a_100000759894_100011217306 [0,2,0,0,0,0|2,0,0]=4 10359 B12R1.385 FCCNc1ccc(c(c1)F)Br 7a_100000759894_100011217306 [0,2,0,0,0,0|2,0,0]=4 10360 B12R1.385 FCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011217306 [0,2,0,0,0,0|2,0,0]=4 10361 B12R1.385 FCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011217306 [0,2,0,0,0,0|2,0,0]=4 10362 B12R1.385 FCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011217306 [0,2,0,0,0,0|2,0,0]=4 10363 B12R1.385 FCCNc1ccc(c(c1)F)F 2230a_100000210724_100011217306 [0,2,0,0,0,0|2,0,0]=4 10364 B12R1.385 FCCNc1ccc(c(c1)F)F 34a_100000210724_100011217306 [0,2,0,0,0,0|2,0,0]=4 10365 B12R1.385 FCCNc1ccc(c(c1)F)F 7a_100000210724_100011217306 [0,2,0,0,0,0|2,0,0]=4 10366 B12R1.385 FCCNc1ccc(c(c1)F)I 34a_100011356925_100011217306 [0,2,0,0,0,0|2,0,0]=4 10367 B12R1.385 FCCNc1ccc(c(c1)F)I 7a_100011356925_100011217306 [0,2,0,0,0,0|2,0,0]=4 10368 B12R1.385 FCCNc1ccc(c(c1)I)Br 34a_100000750459_100011217306 [0,2,0,0,0,0|2,0,0]=4 10369 B12R1.385 FCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011217306 [0,2,0,0,0,0|2,0,0]=4 10370 B12R1.385 FCCNc1ccc(c(c1)I)F 34a_114828291077_100011217306 [0,2,0,0,0,0|2,0,0]=4 10371 B12R1.385 FCCNc1ccc(c(c1)I)F 7a_114828291077_100011217306 [0,2,0,0,0,0|2,0,0]=4 10372 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011217306 [0,2,0,0,0,0|2,0,0]=4 10373 B12R1.385 FCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011217306 [0,2,0,0,0,0|2,0,0]=4 10374 B12R1.385 FCCOc1ccc(c(c1)Br)F 34a_100000693481_100011217306 [0,2,0,0,0,0|2,0,0]=4 10375 B12R1.385 FCCOc1ccc(c(c1)Br)F 7a_100000693481_100011217306 [0,2,0,0,0,0|2,0,0]=4 10376 B12R1.385 FCCOc1ccc(c(c1)Br)I 34a_100000701344_100011217306 [0,2,0,0,0,0|2,0,0]=4 10377 B12R1.385 FCCOc1ccc(c(c1)Br)I 7a_100000701344_100011217306 [0,2,0,0,0,0|2,0,0]=4 10378 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011217306 [0,2,0,0,0,0|2,0,0]=4 10379 B12R1.385 FCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011217306 [0,2,0,0,0,0|2,0,0]=4 10380 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011217306 [0,2,0,0,0,0|2,0,0]=4 10381 B12R1.385 FCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011217306 [0,2,0,0,0,0|2,0,0]=4 10382 B12R1.385 FCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011217306 [0,2,0,0,0,0|2,0,0]=4 10383 B12R1.385 FCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011217306 [0,2,0,0,0,0|2,0,0]=4 10384 B12R1.385 FCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011217306 [0,2,0,0,0,0|2,0,0]=4 10385 B12R1.385 FCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011217306 [0,2,0,0,0,0|2,0,0]=4 10386 B12R1.385 FCCOc1ccc(c(c1)F)Br 34a_100000755031_100011217306 [0,2,0,0,0,0|2,0,0]=4 10387 B12R1.385 FCCOc1ccc(c(c1)F)Br 7a_100000755031_100011217306 [0,2,0,0,0,0|2,0,0]=4 10388 B12R1.385 FCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011217306 [0,2,0,0,0,0|2,0,0]=4 10389 B12R1.385 FCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011217306 [0,2,0,0,0,0|2,0,0]=4 10390 B12R1.385 FCCOc1ccc(c(c1)F)F 34a_100000181275_100011217306 [0,2,0,0,0,0|2,0,0]=4 10391 B12R1.385 FCCOc1ccc(c(c1)F)F 7a_100000181275_100011217306 [0,2,0,0,0,0|2,0,0]=4 10392 B12R1.385 FCCOc1ccc(c(c1)F)I 34a_100009990212_100011217306 [0,2,0,0,0,0|2,0,0]=4 10393 B12R1.385 FCCOc1ccc(c(c1)F)I 7a_100009990212_100011217306 [0,2,0,0,0,0|2,0,0]=4 10394 B12R1.385 FCCOc1ccc(c(c1)I)Br 34a_100012339312_100011217306 [0,2,0,0,0,0|2,0,0]=4 10395 B12R1.385 FCCOc1ccc(c(c1)I)Br 7a_100012339312_100011217306 [0,2,0,0,0,0|2,0,0]=4 10396 B12R1.385 FCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011217306 [0,2,0,0,0,0|2,0,0]=4 10397 B12R1.385 FCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011217306 [0,2,0,0,0,0|2,0,0]=4 10398 B12R1.385 FCCSc1ccc(c(c1)Br)Br 62a_100011217306_100012356285 [0,2,0,0,0,0|2,0,0]=4 10399 B12R1.385 FCCSc1ccc(c(c1)Br)Br 62a_100012356285_100011217306 [0,2,0,0,0,0|2,0,0]=4 10400 B12R1.385 FCCSc1ccc(c(c1)Br)Cl 62a_100011217306_100012353702 [0,2,0,0,0,0|2,0,0]=4 10401 B12R1.385 FCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011217306 [0,2,0,0,0,0|2,0,0]=4 10402 B12R1.385 FCCSc1ccc(c(c1)Br)F 62a_100011217306_100012047266 [0,2,0,0,0,0|2,0,0]=4 10403 B12R1.385 FCCSc1ccc(c(c1)Br)F 62a_100012047266_100011217306 [0,2,0,0,0,0|2,0,0]=4 10404 B12R1.385 FCCSc1ccc(c(c1)Cl)Br 62a_100011217306_100012047281 [0,2,0,0,0,0|2,0,0]=4 10405 B12R1.385 FCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100011217306 [0,2,0,0,0,0|2,0,0]=4 10406 B12R1.385 FCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011217306 [0,2,0,0,0,0|2,0,0]=4 10407 B12R1.385 FCCSc1ccc(c(c1)Cl)Cl 62a_100011217306_100011214914 [0,2,0,0,0,0|2,0,0]=4 10408 B12R1.385 FCCSc1ccc(c(c1)Cl)F 62a_100011215976_100011217306 [0,2,0,0,0,0|2,0,0]=4 10409 B12R1.385 FCCSc1ccc(c(c1)Cl)F 62a_100011217306_100011215976 [0,2,0,0,0,0|2,0,0]=4 10410 B12R1.385 FCCSc1ccc(c(c1)F)Br 62a_100000685389_100011217306 [0,2,0,0,0,0|2,0,0]=4 10411 B12R1.385 FCCSc1ccc(c(c1)F)Br 62a_100011217306_100000685389 [0,2,0,0,0,0|2,0,0]=4 10412 B12R1.385 FCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011217306 [0,2,0,0,0,0|2,0,0]=4 10413 B12R1.385 FCCSc1ccc(c(c1)F)Cl 62a_100011217306_100011216805 [0,2,0,0,0,0|2,0,0]=4 10414 B12R1.385 FCCSc1ccc(c(c1)F)F 62a_100000703953_100011217306 [0,2,0,0,0,0|2,0,0]=4 10415 B12R1.385 FCCSc1ccc(c(c1)F)F 62a_100011217306_100000703953 [0,2,0,0,0,0|2,0,0]=4 10416 B12R1.385 FCNCc1ccc(c(c1)Br)Br 34a_100012351559_100015361967 [0,2,0,0,0,0|2,0,0]=4 10417 B12R1.385 FCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100015361967 [0,2,0,0,0,0|2,0,0]=4 10418 B12R1.385 FCNCc1ccc(c(c1)Br)F 34a_100015193890_100015361967 [0,2,0,0,0,0|2,0,0]=4 10419 B12R1.385 FCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100015361967 [0,2,0,0,0,0|2,0,0]=4 10420 B12R1.385 FCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100015361967 [0,2,0,0,0,0|2,0,0]=4 10421 B12R1.385 FCNCc1ccc(c(c1)Cl)F 34a_100000749334_100015361967 [0,2,0,0,0,0|2,0,0]=4 10422 B12R1.385 FCNCc1ccc(c(c1)F)Br 34a_100000755036_100015361967 [0,2,0,0,0,0|2,0,0]=4 10423 B12R1.385 FCNCc1ccc(c(c1)F)Cl 34a_100011219866_100015361967 [0,2,0,0,0,0|2,0,0]=4 10424 B12R1.385 FCNCc1ccc(c(c1)F)F 34a_100000737897_100015361967 [0,2,0,0,0,0|2,0,0]=4 10425 B12R1.385 FCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100015361967 [0,2,0,0,0,0|2,0,0]=4 10426 B12R1.385 FCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100015361967 [0,2,0,0,0,0|2,0,0]=4 10427 B12R1.385 FCOCc1ccc(c(c1)Br)F 34a_100000246287_100015361967 [0,2,0,0,0,0|2,0,0]=4 10428 B12R1.385 FCOCc1ccc(c(c1)Br)F 7a_100000246287_100015361967 [0,2,0,0,0,0|2,0,0]=4 10429 B12R1.385 FCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100015361967 [0,2,0,0,0,0|2,0,0]=4 10430 B12R1.385 FCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100015361967 [0,2,0,0,0,0|2,0,0]=4 10431 B12R1.385 FCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100015361967 [0,2,0,0,0,0|2,0,0]=4 10432 B12R1.385 FCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100015361967 [0,2,0,0,0,0|2,0,0]=4 10433 B12R1.385 FCOCc1ccc(c(c1)Cl)F 34a_100011217911_100015361967 [0,2,0,0,0,0|2,0,0]=4 10434 B12R1.385 FCOCc1ccc(c(c1)Cl)F 7a_100011217911_100015361967 [0,2,0,0,0,0|2,0,0]=4 10435 B12R1.385 FCOCc1ccc(c(c1)Cl)I 34a_100000718186_100015361967 [0,2,0,0,0,0|2,0,0]=4 10436 B12R1.385 FCOCc1ccc(c(c1)Cl)I 7a_100000718186_100015361967 [0,2,0,0,0,0|2,0,0]=4 10437 B12R1.385 FCOCc1ccc(c(c1)F)Br 34a_100011533735_100015361967 [0,2,0,0,0,0|2,0,0]=4 10438 B12R1.385 FCOCc1ccc(c(c1)F)Br 7a_100011533735_100015361967 [0,2,0,0,0,0|2,0,0]=4 10439 B12R1.385 FCOCc1ccc(c(c1)F)Cl 34a_100011218299_100015361967 [0,2,0,0,0,0|2,0,0]=4 10440 B12R1.385 FCOCc1ccc(c(c1)F)Cl 7a_100011218299_100015361967 [0,2,0,0,0,0|2,0,0]=4 10441 B12R1.385 FCOCc1ccc(c(c1)F)F 34a_100011215442_100015361967 [0,2,0,0,0,0|2,0,0]=4 10442 B12R1.385 FCOCc1ccc(c(c1)F)F 7a_100011215442_100015361967 [0,2,0,0,0,0|2,0,0]=4 10443 B12R1.385 FCOCc1ccc(c(c1)F)I 34a_100010149597_100015361967 [0,2,0,0,0,0|2,0,0]=4 10444 B12R1.385 FCOCc1ccc(c(c1)F)I 7a_100010149597_100015361967 [0,2,0,0,0,0|2,0,0]=4 10445 B12R1.385 FCOCc1ccc(c(c1)I)F 34a_100000049585_100015361967 [0,2,0,0,0,0|2,0,0]=4 10446 B12R1.385 FCOCc1ccc(c(c1)I)F 7a_100000049585_100015361967 [0,2,0,0,0,0|2,0,0]=4 10447 B12R1.385 FCSCc1ccc(c(c1)Br)Br 62a_100012353900_100015361967 [0,2,0,0,0,0|2,0,0]=4 10448 B12R1.385 FCSCc1ccc(c(c1)Br)Br 62a_100015361967_100012353900 [0,2,0,0,0,0|2,0,0]=4 10449 B12R1.385 FCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100015361967 [0,2,0,0,0,0|2,0,0]=4 10450 B12R1.385 FCSCc1ccc(c(c1)Br)Cl 62a_100015361967_100012353894 [0,2,0,0,0,0|2,0,0]=4 10451 B12R1.385 FCSCc1ccc(c(c1)Br)F 62a_100011206884_100015361967 [0,2,0,0,0,0|2,0,0]=4 10452 B12R1.385 FCSCc1ccc(c(c1)Br)F 62a_100015361967_100011206884 [0,2,0,0,0,0|2,0,0]=4 10453 B12R1.385 FCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100015361967 [0,2,0,0,0,0|2,0,0]=4 10454 B12R1.385 FCSCc1ccc(c(c1)Cl)Br 62a_100015361967_100012353895 [0,2,0,0,0,0|2,0,0]=4 10455 B12R1.385 FCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100015361967 [0,2,0,0,0,0|2,0,0]=4 10456 B12R1.385 FCSCc1ccc(c(c1)Cl)Cl 62a_100015361967_100000184707 [0,2,0,0,0,0|2,0,0]=4 10457 B12R1.385 FCSCc1ccc(c(c1)Cl)F 62a_100000717365_100015361967 [0,2,0,0,0,0|2,0,0]=4 10458 B12R1.385 FCSCc1ccc(c(c1)Cl)F 62a_100015361967_100011934319 [0,2,0,0,0,0|2,0,0]=4 10459 B12R1.385 FCSCc1ccc(c(c1)Cl)I 62a_100012349665_100015361967 [0,2,0,0,0,0|2,0,0]=4 10460 B12R1.385 FCSCc1ccc(c(c1)Cl)I 62a_100015361967_100012349665 [0,2,0,0,0,0|2,0,0]=4 10461 B12R1.385 FCSCc1ccc(c(c1)F)Br 62a_100000767054_100015361967 [0,2,0,0,0,0|2,0,0]=4 10462 B12R1.385 FCSCc1ccc(c(c1)F)Br 62a_100015361967_100000767054 [0,2,0,0,0,0|2,0,0]=4 10463 B12R1.385 FCSCc1ccc(c(c1)F)Cl 62a_100000716492_100015361967 [0,2,0,0,0,0|2,0,0]=4 10464 B12R1.385 FCSCc1ccc(c(c1)F)Cl 62a_100015361967_100000716492 [0,2,0,0,0,0|2,0,0]=4 10465 B12R1.385 FCSCc1ccc(c(c1)F)F 62a_100000757363_100015361967 [0,2,0,0,0,0|2,0,0]=4 10466 B12R1.385 FCSCc1ccc(c(c1)F)F 62a_100015361967_100000757363 [0,2,0,0,0,0|2,0,0]=4 10467 B12R1.385 FCSCc1ccc(c(c1)F)I 62a_100010149604_100015361967 [0,2,0,0,0,0|2,0,0]=4 10468 B12R1.385 FCSCc1ccc(c(c1)F)I 62a_100015361967_100010149604 [0,2,0,0,0,0|2,0,0]=4 10469 B12R1.385 FCSCc1ccc(c(c1)I)Br 62a_100010146616_100015361967 [0,2,0,0,0,0|2,0,0]=4 10470 B12R1.385 FCSCc1ccc(c(c1)I)Br 62a_100015361967_100010146616 [0,2,0,0,0,0|2,0,0]=4 10471 B12R1.385 FCSCc1ccc(c(c1)I)F 62a_100010188208_100015361967 [0,2,0,0,0,0|2,0,0]=4 10472 B12R1.385 FCSCc1ccc(c(c1)I)F 62a_100015361967_100010188208 [0,2,0,0,0,0|2,0,0]=4 10473 B12R1.385 Nc1cc(ccc1Br)COCF 34a_100012347568_100015361967 [0,2,0,0,0,0|2,0,0]=4 10474 B12R1.385 Nc1cc(ccc1Br)OCCF 34a_100011999798_100011217306 [0,2,0,0,0,0|2,0,0]=4 10475 B12R1.385 Nc1cc(ccc1Br)OCCF 7a_100011999798_100011217306 [0,2,0,0,0,0|2,0,0]=4 10476 B12R1.385 Nc1cc(ccc1Br)OCCO 34a_100011999798_100000211926 [0,2,0,0,0,0|1,0,0]=3 10477 B12R1.385 Nc1cc(ccc1Br)OCCO 7a_100011999798_100000211926 [0,2,0,0,0,0|1,0,0]=3 10478 B12R1.385 Nc1cc(ccc1Br)SCCF 62a_100000750456_100011217306 [0,2,0,0,0,0|2,0,0]=4 10479 B12R1.385 Nc1cc(ccc1Br)SCCF 62a_100011217306_100000750456 [0,2,0,0,0,0|2,0,0]=4 10480 B12R1.385 Nc1cc(ccc1Br)SCCO 62a_100000211926_100000750456 [0,2,0,0,0,0|1,0,0]=3 10481 B12R1.385 Nc1cc(ccc1Br)SCCO 62a_100000750456_100000211926 [0,2,0,0,0,0|1,0,0]=3 10482 B12R1.385 Nc1cc(ccc1Cl)COCF 34a_106256033963_100015361967 [0,2,0,0,0,0|2,0,0]=4 10483 B12R1.385 Nc1cc(ccc1Cl)OCCF 34a_100011934297_100011217306 [0,2,0,0,0,0|2,0,0]=4 10484 B12R1.385 Nc1cc(ccc1Cl)OCCO 34a_100011934297_100000211926 [0,2,0,0,0,0|1,0,0]=3 10485 B12R1.385 Nc1cc(ccc1Cl)SCCF 62a_100011217306_200000761891 [0,2,0,0,0,0|2,0,0]=4 10486 B12R1.385 Nc1cc(ccc1Cl)SCCF 62a_200000761891_100011217306 [0,2,0,0,0,0|2,0,0]=4 10487 B12R1.385 Nc1cc(ccc1Cl)SCCO 62a_100000211926_200000761891 [0,2,0,0,0,0|1,0,0]=3 10488 B12R1.385 Nc1cc(ccc1Cl)SCCO 62a_200000761891_100000211926 [0,2,0,0,0,0|1,0,0]=3 10489 B12R1.385 Nc1cc(ccc1F)COCF 34a_102125399562_100015361967 [0,2,0,0,0,0|2,0,0]=4 10490 B12R1.385 Nc1cc(ccc1F)OCCF 34a_100012017239_100011217306 [0,2,0,0,0,0|2,0,0]=4 10491 B12R1.385 Nc1cc(ccc1F)OCCF 7a_100012017239_100011217306 [0,2,0,0,0,0|2,0,0]=4 10492 B12R1.385 Nc1cc(ccc1F)OCCO 34a_100012017239_100000211926 [0,2,0,0,0,0|1,0,0]=3 10493 B12R1.385 Nc1cc(ccc1F)OCCO 7a_100012017239_100000211926 [0,2,0,0,0,0|1,0,0]=3 10494 B12R1.385 Nc1cc(ccc1F)SCCF 62a_100000740924_100011217306 [0,2,0,0,0,0|2,0,0]=4 10495 B12R1.385 Nc1cc(ccc1F)SCCF 62a_100011217306_100000740924 [0,2,0,0,0,0|2,0,0]=4 10496 B12R1.385 Nc1cc(ccc1F)SCCO 62a_100000211926_100000740924 [0,2,0,0,0,0|1,0,0]=3 10497 B12R1.385 Nc1cc(ccc1F)SCCO 62a_100000740924_100000211926 [0,2,0,0,0,0|1,0,0]=3 10498 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100000752626_100011217306 [0,2,0,0,0,0|2,0,0]=4 10499 B12R1.385 Nc1cc(ccc1O)SCCF 62a_100011217306_100000752626 [0,2,0,0,0,0|2,0,0]=4 10500 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000211926_100000752626 [0,2,0,0,0,0|1,0,0]=3 10501 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000752626_100000211926 [0,2,0,0,0,0|1,0,0]=3 10502 B12R1.385 Nc1cc(cnc1Cl)SCCO 62a_100000211926_100009828400 [0,2,0,0,0,0|2,0,0]=4 10503 B12R1.385 Nc1cc(cnc1Cl)SCCO 62a_100009828400_100000211926 [0,2,0,0,0,0|2,0,0]=4 10504 B12R1.385 Nc1cc(cnc1F)SCCO 62a_100000211926_100009816798 [0,2,0,0,0,0|2,0,0]=4 10505 B12R1.385 Nc1cc(cnc1F)SCCO 62a_100009816798_100000211926 [0,2,0,0,0,0|2,0,0]=4 10506 B12R1.385 Nc1cc(cnc1N)SCCO 62a_100000184470_100000211926 [0,2,0,0,0,0|2,0,0]=4 10507 B12R1.385 Nc1cc(cnc1N)SCCO 62a_100000211926_100000184470 [0,2,0,0,0,0|2,0,0]=4 10508 B12R1.385 Nc1cc(cnc1O)SCCO 62a_100000211926_100000743729 [0,2,0,0,0,0|2,0,0]=4 10509 B12R1.385 Nc1cc(cnc1O)SCCO 62a_100000743729_100000211926 [0,2,0,0,0,0|2,0,0]=4 10510 B12R1.385 Nc1cc(ncc1F)SCCO 62a_100000126464_100000211926 [0,2,0,0,0,0|2,0,0]=4 10511 B12R1.385 Nc1cc(ncc1F)SCCO 62a_100000211926_100000126464 [0,2,0,0,0,0|2,0,0]=4 10512 B12R1.385 Nc1cc(ncc1O)SCCO 62a_100000211926_100009819941 [0,2,0,0,0,0|2,0,0]=4 10513 B12R1.385 Nc1cc(ncc1O)SCCO 62a_100009819941_100000211926 [0,2,0,0,0,0|2,0,0]=4 10514 B12R1.385 Nc1ccc(cc1Br)OCCF 34a_100012001276_100011217306 [0,2,0,0,0,0|2,0,0]=4 10515 B12R1.385 Nc1ccc(cc1Br)OCCF 7a_100012001276_100011217306 [0,2,0,0,0,0|2,0,0]=4 10516 B12R1.385 Nc1ccc(cc1Br)OCCO 34a_100012001276_100000211926 [0,2,0,0,0,0|1,0,0]=3 10517 B12R1.385 Nc1ccc(cc1Br)OCCO 7a_100012001276_100000211926 [0,2,0,0,0,0|1,0,0]=3 10518 B12R1.385 Nc1ccc(cc1Br)SCCF 62a_100000750455_100011217306 [0,2,0,0,0,0|2,0,0]=4 10519 B12R1.385 Nc1ccc(cc1Br)SCCF 62a_100011217306_100000750455 [0,2,0,0,0,0|2,0,0]=4 10520 B12R1.385 Nc1ccc(cc1Br)SCCO 62a_100000211926_100000750455 [0,2,0,0,0,0|1,0,0]=3 10521 B12R1.385 Nc1ccc(cc1Br)SCCO 62a_100000750455_100000211926 [0,2,0,0,0,0|1,0,0]=3 10522 B12R1.385 Nc1ccc(cc1Cl)OCCF 34a_100011215599_100011217306 [0,2,0,0,0,0|2,0,0]=4 10523 B12R1.385 Nc1ccc(cc1Cl)OCCF 7a_100011215599_100011217306 [0,2,0,0,0,0|2,0,0]=4 10524 B12R1.385 Nc1ccc(cc1Cl)OCCO 34a_100011215599_100000211926 [0,2,0,0,0,0|1,0,0]=3 10525 B12R1.385 Nc1ccc(cc1Cl)OCCO 7a_100011215599_100000211926 [0,2,0,0,0,0|1,0,0]=3 10526 B12R1.385 Nc1ccc(cc1Cl)SCCF 62a_100011217306_100011218065 [0,2,0,0,0,0|2,0,0]=4 10527 B12R1.385 Nc1ccc(cc1Cl)SCCF 62a_100011218065_100011217306 [0,2,0,0,0,0|2,0,0]=4 10528 B12R1.385 Nc1ccc(cc1Cl)SCCO 62a_100000211926_100011218065 [0,2,0,0,0,0|1,0,0]=3 10529 B12R1.385 Nc1ccc(cc1Cl)SCCO 62a_100011218065_100000211926 [0,2,0,0,0,0|1,0,0]=3 10530 B12R1.385 Nc1ccc(cc1F)COCF 34a_100011217239_100015361967 [0,2,0,0,0,0|2,0,0]=4 10531 B12R1.385 Nc1ccc(cc1F)OCCF 34a_100000759473_100011217306 [0,2,0,0,0,0|2,0,0]=4 10532 B12R1.385 Nc1ccc(cc1F)OCCF 7a_100000759473_100011217306 [0,2,0,0,0,0|2,0,0]=4 10533 B12R1.385 Nc1ccc(cc1F)OCCO 34a_100000759473_100000211926 [0,2,0,0,0,0|1,0,0]=3 10534 B12R1.385 Nc1ccc(cc1F)OCCO 7a_100000759473_100000211926 [0,2,0,0,0,0|1,0,0]=3 10535 B12R1.385 Nc1ccc(cc1F)SCCF 62a_100011215594_100011217306 [0,2,0,0,0,0|2,0,0]=4 10536 B12R1.385 Nc1ccc(cc1F)SCCF 62a_100011217306_100011215594 [0,2,0,0,0,0|2,0,0]=4 10537 B12R1.385 Nc1ccc(cc1F)SCCO 62a_100000211926_100011215594 [0,2,0,0,0,0|1,0,0]=3 10538 B12R1.385 Nc1ccc(cc1F)SCCO 62a_100011215594_100000211926 [0,2,0,0,0,0|1,0,0]=3 10539 B12R1.385 Nc1ccc(cc1I)OCCF 34a_100010084370_100011217306 [0,2,0,0,0,0|2,0,0]=4 10540 B12R1.385 Nc1ccc(cc1I)OCCF 7a_100010084370_100011217306 [0,2,0,0,0,0|2,0,0]=4 10541 B12R1.385 Nc1ccc(cc1I)OCCO 34a_100010084370_100000211926 [0,2,0,0,0,0|1,0,0]=3 10542 B12R1.385 Nc1ccc(cc1I)OCCO 7a_100010084370_100000211926 [0,2,0,0,0,0|1,0,0]=3 10543 B12R1.385 Nc1ccc(cc1N)OCCF 34a_100025771000_100011217306 [0,2,0,0,0,0|2,0,0]=4 10544 B12R1.385 Nc1ccc(cc1N)OCCO 34a_100025771000_100000211926 [0,2,0,0,0,0|1,0,0]=3 10545 B12R1.385 Nc1ccc(cc1N)SCCF 62a_100000741789_100011217306 [0,2,0,0,0,0|2,0,0]=4 10546 B12R1.385 Nc1ccc(cc1N)SCCF 62a_100011217306_100011534411 [0,2,0,0,0,0|2,0,0]=4 10547 B12R1.385 Nc1ccc(cc1N)SCCO 62a_100000211926_100011534411 [0,2,0,0,0,0|1,0,0]=3 10548 B12R1.385 Nc1ccc(cc1N)SCCO 62a_100000741789_100000211926 [0,2,0,0,0,0|1,0,0]=3 10549 B12R1.385 Nc1ccc(cc1O)SCCF 62a_100000739049_100011217306 [0,2,0,0,0,0|2,0,0]=4 10550 B12R1.385 Nc1ccc(cc1O)SCCF 62a_100011217306_100000739049 [0,2,0,0,0,0|2,0,0]=4 10551 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000211926_100000739049 [0,2,0,0,0,0|1,0,0]=3 10552 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000739049_100000211926 [0,2,0,0,0,0|1,0,0]=3 10553 B12R1.385 Nc1ccc(nc1Cl)SCCO 62a_100000211926_200010233646 [0,2,0,0,0,0|2,0,0]=4 10554 B12R1.385 Nc1ccc(nc1Cl)SCCO 62a_200010233646_100000211926 [0,2,0,0,0,0|2,0,0]=4 10555 B12R1.385 Nc1ccc(nc1F)SCCO 62a_100000211926_100009856439 [0,2,0,0,0,0|2,0,0]=4 10556 B12R1.385 Nc1ccc(nc1F)SCCO 62a_100009856439_100000211926 [0,2,0,0,0,0|2,0,0]=4 10557 B12R1.385 Nc1ccc(nc1N)SCCO 62a_100000747239_100000211926 [0,2,0,0,0,0|2,0,0]=4 10558 B12R1.385 Nc1ccc(nc1O)SCCO 62a_100000718904_100000211926 [0,2,0,0,0,0|2,0,0]=4 10559 B12R1.385 Nc1cnc(cc1N)SCCO 62a_100000067514_100000211926 [0,2,0,0,0,0|2,0,0]=4 10560 B12R1.385 Nc1cnc(cc1N)SCCO 62a_100000211926_100000067514 [0,2,0,0,0,0|2,0,0]=4 10561 B12R1.385 Nc1nc(ccc1F)SCCO 62a_100000211926_100016091773 [0,2,0,0,0,0|2,0,0]=4 10562 B12R1.385 Nc1nc(ccc1F)SCCO 62a_100016091773_100000211926 [0,2,0,0,0,0|2,0,0]=4 10563 B12R1.385 Nc1nc(ccc1O)SCCO 62a_100000211926_100000685527 [0,2,0,0,0,0|2,0,0]=4 10564 B12R1.385 Nc1nc(ccc1O)SCCO 62a_100000685527_100000211926 [0,2,0,0,0,0|2,0,0]=4 10565 B12R1.385 Nc1ncc(cc1Br)SCCO 62a_100000211926_100012353989 [0,2,0,0,0,0|2,0,0]=4 10566 B12R1.385 Nc1ncc(cc1Br)SCCO 62a_100012353989_100000211926 [0,2,0,0,0,0|2,0,0]=4 10567 B12R1.385 Nc1ncc(cc1Cl)SCCO 62a_100000211926_100012356299 [0,2,0,0,0,0|2,0,0]=4 10568 B12R1.385 Nc1ncc(cc1Cl)SCCO 62a_100012356299_100000211926 [0,2,0,0,0,0|2,0,0]=4 10569 B12R1.385 Nc1ncc(cc1F)SCCO 62a_100000211926_100000693161 [0,2,0,0,0,0|2,0,0]=4 10570 B12R1.385 Nc1ncc(cc1F)SCCO 62a_100000693161_100000211926 [0,2,0,0,0,0|2,0,0]=4 10571 B12R1.385 Nc1ncc(cc1O)SCCO 62a_100000211926_100009819042 [0,2,0,0,0,0|2,0,0]=4 10572 B12R1.385 Nc1ncc(cc1O)SCCO 62a_100009819042_100000211926 [0,2,0,0,0,0|2,0,0]=4 10573 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100000211926_100010125443 [0,2,0,0,0,0|2,0,0]=4 10574 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100010125443_100000211926 [0,2,0,0,0,0|2,0,0]=4 10575 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000211926_100000723523 [0,2,0,0,0,0|2,0,0]=4 10576 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000723523_100000211926 [0,2,0,0,0,0|2,0,0]=4 10577 B12R1.385 O=c1[nH]cc(cc1O)SCCO 62a_100000211926_100009814561 [0,2,0,0,0,0|2,0,0]=4 10578 B12R1.385 OCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000211926 [0,2,0,0,0,0|1,0,0]=3 10579 B12R1.385 OCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000211926 [0,2,0,0,0,0|1,0,0]=3 10580 B12R1.385 OCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000211926 [0,2,0,0,0,0|1,0,0]=3 10581 B12R1.385 OCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000211926 [0,2,0,0,0,0|1,0,0]=3 10582 B12R1.385 OCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000211926 [0,2,0,0,0,0|1,0,0]=3 10583 B12R1.385 OCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000211926 [0,2,0,0,0,0|1,0,0]=3 10584 B12R1.385 OCCNc1ccc(c(c1)Br)F 34a_100000760356_100000211926 [0,2,0,0,0,0|1,0,0]=3 10585 B12R1.385 OCCNc1ccc(c(c1)Br)F 7a_100000760356_100000211926 [0,2,0,0,0,0|1,0,0]=3 10586 B12R1.385 OCCNc1ccc(c(c1)Br)I 34a_100000750458_100000211926 [0,2,0,0,0,0|1,0,0]=3 10587 B12R1.385 OCCNc1ccc(c(c1)Br)O 34a_100011534360_100000211926 [0,2,0,0,0,0|1,0,0]=3 10588 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000211926 [0,2,0,0,0,0|1,0,0]=3 10589 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000211926 [0,2,0,0,0,0|1,0,0]=3 10590 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000211926 [0,2,0,0,0,0|1,0,0]=3 10591 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000211926 [0,2,0,0,0,0|1,0,0]=3 10592 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000211926 [0,2,0,0,0,0|1,0,0]=3 10593 B12R1.385 OCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000211926 [0,2,0,0,0,0|1,0,0]=3 10594 B12R1.385 OCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000211926 [0,2,0,0,0,0|1,0,0]=3 10595 B12R1.385 OCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000211926 [0,2,0,0,0,0|1,0,0]=3 10596 B12R1.385 OCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000211926 [0,2,0,0,0,0|1,0,0]=3 10597 B12R1.385 OCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000211926 [0,2,0,0,0,0|1,0,0]=3 10598 B12R1.385 OCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000211926 [0,2,0,0,0,0|1,0,0]=3 10599 B12R1.385 OCCNc1ccc(c(c1)F)Br 34a_100000759894_100000211926 [0,2,0,0,0,0|1,0,0]=3 10600 B12R1.385 OCCNc1ccc(c(c1)F)Br 7a_100000759894_100000211926 [0,2,0,0,0,0|1,0,0]=3 10601 B12R1.385 OCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000211926 [0,2,0,0,0,0|1,0,0]=3 10602 B12R1.385 OCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000211926 [0,2,0,0,0,0|1,0,0]=3 10603 B12R1.385 OCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000211926 [0,2,0,0,0,0|1,0,0]=3 10604 B12R1.385 OCCNc1ccc(c(c1)F)F 2230a_100000210724_100000211926 [0,2,0,0,0,0|1,0,0]=3 10605 B12R1.385 OCCNc1ccc(c(c1)F)F 34a_100000210724_100000211926 [0,2,0,0,0,0|1,0,0]=3 10606 B12R1.385 OCCNc1ccc(c(c1)F)F 7a_100000210724_100000211926 [0,2,0,0,0,0|1,0,0]=3 10607 B12R1.385 OCCNc1ccc(c(c1)F)I 34a_100011356925_100000211926 [0,2,0,0,0,0|1,0,0]=3 10608 B12R1.385 OCCNc1ccc(c(c1)F)I 7a_100011356925_100000211926 [0,2,0,0,0,0|1,0,0]=3 10609 B12R1.385 OCCNc1ccc(c(c1)F)O 34a_100011220035_100000211926 [0,2,0,0,0,0|1,0,0]=3 10610 B12R1.385 OCCNc1ccc(c(c1)F)O 7a_100011220035_100000211926 [0,2,0,0,0,0|1,0,0]=3 10611 B12R1.385 OCCNc1ccc(c(c1)I)Br 34a_100000750459_100000211926 [0,2,0,0,0,0|1,0,0]=3 10612 B12R1.385 OCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000211926 [0,2,0,0,0,0|1,0,0]=3 10613 B12R1.385 OCCNc1ccc(c(c1)I)F 34a_114828291077_100000211926 [0,2,0,0,0,0|1,0,0]=3 10614 B12R1.385 OCCNc1ccc(c(c1)I)F 7a_114828291077_100000211926 [0,2,0,0,0,0|1,0,0]=3 10615 B12R1.385 OCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000211926 [0,2,0,0,0,0|1,0,0]=3 10616 B12R1.385 OCCNc1ccc(c(c1)O)F 34a_100012017398_100000211926 [0,2,0,0,0,0|1,0,0]=3 10617 B12R1.385 OCCNc1ccc(c(c1)O)F 7a_100012017398_100000211926 [0,2,0,0,0,0|1,0,0]=3 10618 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [0,2,0,0,0,0|1,0,0]=3 10619 B12R1.385 OCCNc1ccc(c(n1)F)Br 27a_100000210304_100010134343 [0,2,0,0,0,0|2,0,0]=4 10620 B12R1.385 OCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000211926 [0,2,0,0,0,0|2,0,0]=4 10621 B12R1.385 OCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000211926 [0,2,0,0,0,0|2,0,0]=4 10622 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000211926 [0,2,0,0,0,0|1,0,0]=3 10623 B12R1.385 OCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000211926 [0,2,0,0,0,0|1,0,0]=3 10624 B12R1.385 OCCOc1ccc(c(c1)Br)F 34a_100000693481_100000211926 [0,2,0,0,0,0|1,0,0]=3 10625 B12R1.385 OCCOc1ccc(c(c1)Br)F 7a_100000693481_100000211926 [0,2,0,0,0,0|1,0,0]=3 10626 B12R1.385 OCCOc1ccc(c(c1)Br)I 34a_100000701344_100000211926 [0,2,0,0,0,0|1,0,0]=3 10627 B12R1.385 OCCOc1ccc(c(c1)Br)I 7a_100000701344_100000211926 [0,2,0,0,0,0|1,0,0]=3 10628 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000211926 [0,2,0,0,0,0|1,0,0]=3 10629 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000211926 [0,2,0,0,0,0|1,0,0]=3 10630 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000211926 [0,2,0,0,0,0|1,0,0]=3 10631 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000211926 [0,2,0,0,0,0|1,0,0]=3 10632 B12R1.385 OCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000211926 [0,2,0,0,0,0|1,0,0]=3 10633 B12R1.385 OCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000211926 [0,2,0,0,0,0|1,0,0]=3 10634 B12R1.385 OCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000211926 [0,2,0,0,0,0|1,0,0]=3 10635 B12R1.385 OCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000211926 [0,2,0,0,0,0|1,0,0]=3 10636 B12R1.385 OCCOc1ccc(c(c1)F)Br 34a_100000755031_100000211926 [0,2,0,0,0,0|1,0,0]=3 10637 B12R1.385 OCCOc1ccc(c(c1)F)Br 7a_100000755031_100000211926 [0,2,0,0,0,0|1,0,0]=3 10638 B12R1.385 OCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000211926 [0,2,0,0,0,0|1,0,0]=3 10639 B12R1.385 OCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000211926 [0,2,0,0,0,0|1,0,0]=3 10640 B12R1.385 OCCOc1ccc(c(c1)F)F 34a_100000181275_100000211926 [0,2,0,0,0,0|1,0,0]=3 10641 B12R1.385 OCCOc1ccc(c(c1)F)F 7a_100000181275_100000211926 [0,2,0,0,0,0|1,0,0]=3 10642 B12R1.385 OCCOc1ccc(c(c1)F)I 34a_100009990212_100000211926 [0,2,0,0,0,0|1,0,0]=3 10643 B12R1.385 OCCOc1ccc(c(c1)F)I 7a_100009990212_100000211926 [0,2,0,0,0,0|1,0,0]=3 10644 B12R1.385 OCCOc1ccc(c(c1)I)Br 34a_100012339312_100000211926 [0,2,0,0,0,0|1,0,0]=3 10645 B12R1.385 OCCOc1ccc(c(c1)I)Br 7a_100012339312_100000211926 [0,2,0,0,0,0|1,0,0]=3 10646 B12R1.385 OCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000211926 [0,2,0,0,0,0|1,0,0]=3 10647 B12R1.385 OCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000211926 [0,2,0,0,0,0|1,0,0]=3 10648 B12R1.385 OCCOc1ccc(c(n1)F)Br 34a_100009879308_100000211926 [0,2,0,0,0,0|2,0,0]=4 10649 B12R1.385 OCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000211926 [0,2,0,0,0,0|2,0,0]=4 10650 B12R1.385 OCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000211926 [0,2,0,0,0,0|2,0,0]=4 10651 B12R1.385 OCCOc1cnc(c(c1)Br)F 34a_100009817267_100000211926 [0,2,0,0,0,0|2,0,0]=4 10652 B12R1.385 OCCOc1cnc(c(c1)Br)F 7a_100009817267_100000211926 [0,2,0,0,0,0|2,0,0]=4 10653 B12R1.385 OCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000211926 [0,2,0,0,0,0|2,0,0]=4 10654 B12R1.385 OCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000211926 [0,2,0,0,0,0|2,0,0]=4 10655 B12R1.385 OCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000211926 [0,2,0,0,0,0|2,0,0]=4 10656 B12R1.385 OCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000211926 [0,2,0,0,0,0|2,0,0]=4 10657 B12R1.385 OCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000211926 [0,2,0,0,0,0|2,0,0]=4 10658 B12R1.385 OCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000211926 [0,2,0,0,0,0|2,0,0]=4 10659 B12R1.385 OCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000211926 [0,2,0,0,0,0|2,0,0]=4 10660 B12R1.385 OCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000211926 [0,2,0,0,0,0|2,0,0]=4 10661 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100000211926_100009854642 [0,2,0,0,0,0|2,0,0]=4 10662 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100009854642_100000211926 [0,2,0,0,0,0|2,0,0]=4 10663 B12R1.385 OCCSc1ccc(c(c1)Br)Br 62a_100000211926_100012356285 [0,2,0,0,0,0|1,0,0]=3 10664 B12R1.385 OCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000211926 [0,2,0,0,0,0|1,0,0]=3 10665 B12R1.385 OCCSc1ccc(c(c1)Br)Cl 62a_100000211926_100012353702 [0,2,0,0,0,0|1,0,0]=3 10666 B12R1.385 OCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000211926 [0,2,0,0,0,0|1,0,0]=3 10667 B12R1.385 OCCSc1ccc(c(c1)Br)F 62a_100000211926_100012047266 [0,2,0,0,0,0|1,0,0]=3 10668 B12R1.385 OCCSc1ccc(c(c1)Br)F 62a_100012047266_100000211926 [0,2,0,0,0,0|1,0,0]=3 10669 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100000211926_100012361655 [0,2,0,0,0,0|1,0,0]=3 10670 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100012361655_100000211926 [0,2,0,0,0,0|1,0,0]=3 10671 B12R1.385 OCCSc1ccc(c(c1)Cl)Br 62a_100000211926_100012047281 [0,2,0,0,0,0|1,0,0]=3 10672 B12R1.385 OCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000211926 [0,2,0,0,0,0|1,0,0]=3 10673 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl 62a_100000211926_100011214914 [0,2,0,0,0,0|1,0,0]=3 10674 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000211926 [0,2,0,0,0,0|1,0,0]=3 10675 B12R1.385 OCCSc1ccc(c(c1)Cl)F 62a_100000211926_100011215976 [0,2,0,0,0,0|1,0,0]=3 10676 B12R1.385 OCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000211926 [0,2,0,0,0,0|1,0,0]=3 10677 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100000211926_100012360047 [0,2,0,0,0,0|1,0,0]=3 10678 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000211926 [0,2,0,0,0,0|1,0,0]=3 10679 B12R1.385 OCCSc1ccc(c(c1)F)Br 62a_100000211926_100000685389 [0,2,0,0,0,0|1,0,0]=3 10680 B12R1.385 OCCSc1ccc(c(c1)F)Br 62a_100000685389_100000211926 [0,2,0,0,0,0|1,0,0]=3 10681 B12R1.385 OCCSc1ccc(c(c1)F)Cl 62a_100000211926_100011216805 [0,2,0,0,0,0|1,0,0]=3 10682 B12R1.385 OCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000211926 [0,2,0,0,0,0|1,0,0]=3 10683 B12R1.385 OCCSc1ccc(c(c1)F)F 62a_100000211926_100000703953 [0,2,0,0,0,0|1,0,0]=3 10684 B12R1.385 OCCSc1ccc(c(c1)F)F 62a_100000703953_100000211926 [0,2,0,0,0,0|1,0,0]=3 10685 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000185481_100000211926 [0,2,0,0,0,0|1,0,0]=3 10686 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000211926_100000185481 [0,2,0,0,0,0|1,0,0]=3 10687 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100000211926_100012356990 [0,2,0,0,0,0|1,0,0]=3 10688 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100012356990_100000211926 [0,2,0,0,0,0|1,0,0]=3 10689 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100000211926_100011356854 [0,2,0,0,0,0|1,0,0]=3 10690 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000211926 [0,2,0,0,0,0|1,0,0]=3 10691 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000211926_100000686035 [0,2,0,0,0,0|1,0,0]=3 10692 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000686035_100000211926 [0,2,0,0,0,0|1,0,0]=3 10693 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [0,2,0,0,0,0|1,0,0]=3 10694 B12R1.385 OCCSc1ccc(c(n1)Br)O 62a_100000211926_100000725334 [0,2,0,0,0,0|2,0,0]=4 10695 B12R1.385 OCCSc1ccc(c(n1)Br)O 62a_100000725334_100000211926 [0,2,0,0,0,0|2,0,0]=4 10696 B12R1.385 OCCSc1ccc(c(n1)Cl)O 62a_100000211926_100000721234 [0,2,0,0,0,0|2,0,0]=4 10697 B12R1.385 OCCSc1ccc(c(n1)F)Br 62a_100000211926_100010134343 [0,2,0,0,0,0|2,0,0]=4 10698 B12R1.385 OCCSc1ccc(c(n1)F)Br 62a_100010134343_100000211926 [0,2,0,0,0,0|2,0,0]=4 10699 B12R1.385 OCCSc1ccc(c(n1)F)O 62a_100000211926_100009819667 [0,2,0,0,0,0|2,0,0]=4 10700 B12R1.385 OCCSc1ccc(c(n1)F)O 62a_100009819667_100000211926 [0,2,0,0,0,0|2,0,0]=4 10701 B12R1.385 OCCSc1ccc(c(n1)O)F 62a_100000211926_100010729010 [0,2,0,0,0,0|2,0,0]=4 10702 B12R1.385 OCCSc1cnc(c(c1)Br)Cl 62a_100000211926_100010172733 [0,2,0,0,0,0|2,0,0]=4 10703 B12R1.385 OCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000211926 [0,2,0,0,0,0|2,0,0]=4 10704 B12R1.385 OCCSc1cnc(c(c1)Cl)O 62a_100000211926_100010238531 [0,2,0,0,0,0|2,0,0]=4 10705 B12R1.385 OCCSc1cnc(c(c1)Cl)O 62a_100010238531_100000211926 [0,2,0,0,0,0|2,0,0]=4 10706 B12R1.385 OCCSc1cnc(c(c1)F)F 62a_100000211926_100009817721 [0,2,0,0,0,0|2,0,0]=4 10707 B12R1.385 OCCSc1cnc(c(c1)F)F 62a_100009817721_100000211926 [0,2,0,0,0,0|2,0,0]=4 10708 B12R1.385 OCCSc1cnc(c(c1)O)F 62a_100000211926_100009819871 [0,2,0,0,0,0|2,0,0]=4 10709 B12R1.385 OCCSc1cnc(c(c1)O)F 62a_100009819871_100000211926 [0,2,0,0,0,0|2,0,0]=4 10710 B12R1.385 Oc1cc(ccc1Br)SCCF 62a_100011217306_100012356990 [0,2,0,0,0,0|2,0,0]=4 10711 B12R1.385 Oc1cc(ccc1Br)SCCF 62a_100012356990_100011217306 [0,2,0,0,0,0|2,0,0]=4 10712 B12R1.385 Oc1cc(ccc1Cl)CNCF 34a_100020636435_100015361967 [0,2,0,0,0,0|2,0,0]=4 10713 B12R1.385 Oc1cc(ccc1Cl)NCCF 34a_100011934209_100011217306 [0,2,0,0,0,0|2,0,0]=4 10714 B12R1.385 Oc1cc(ccc1Cl)SCCF 62a_100011217306_100011356854 [0,2,0,0,0,0|2,0,0]=4 10715 B12R1.385 Oc1cc(ccc1Cl)SCCF 62a_100011356854_100011217306 [0,2,0,0,0,0|2,0,0]=4 10716 B12R1.385 Oc1cc(ccc1F)CNCF 34a_100160469508_100015361967 [0,2,0,0,0,0|2,0,0]=4 10717 B12R1.385 Oc1cc(ccc1F)NCCF 34a_100012017398_100011217306 [0,2,0,0,0,0|2,0,0]=4 10718 B12R1.385 Oc1cc(ccc1F)NCCF 7a_100012017398_100011217306 [0,2,0,0,0,0|2,0,0]=4 10719 B12R1.385 Oc1cc(ccc1F)SCCF 62a_100000686035_100011217306 [0,2,0,0,0,0|2,0,0]=4 10720 B12R1.385 Oc1cc(ccc1F)SCCF 62a_100011217306_100000686035 [0,2,0,0,0,0|2,0,0]=4 10721 B12R1.385 Oc1ccc(cc1Br)NCCF 34a_100011534360_100011217306 [0,2,0,0,0,0|2,0,0]=4 10722 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100011217306_100012361655 [0,2,0,0,0,0|2,0,0]=4 10723 B12R1.385 Oc1ccc(cc1Br)SCCF 62a_100012361655_100011217306 [0,2,0,0,0,0|2,0,0]=4 10724 B12R1.385 Oc1ccc(cc1Cl)NCCF 34a_100000744943_100011217306 [0,2,0,0,0,0|2,0,0]=4 10725 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100011217306_100012360047 [0,2,0,0,0,0|2,0,0]=4 10726 B12R1.385 Oc1ccc(cc1Cl)SCCF 62a_100012360047_100011217306 [0,2,0,0,0,0|2,0,0]=4 10727 B12R1.385 Oc1ccc(cc1F)CNCF 34a_100000758358_100015361967 [0,2,0,0,0,0|2,0,0]=4 10728 B12R1.385 Oc1ccc(cc1F)NCCF 34a_100011220035_100011217306 [0,2,0,0,0,0|2,0,0]=4 10729 B12R1.385 Oc1ccc(cc1F)NCCF 7a_100011220035_100011217306 [0,2,0,0,0,0|2,0,0]=4 10730 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100000185481_100011217306 [0,2,0,0,0,0|2,0,0]=4 10731 B12R1.385 Oc1ccc(cc1F)SCCF 62a_100011217306_100000185481 [0,2,0,0,0,0|2,0,0]=4 10732 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [0,2,0,0,0,0|2,0,0]=4 10733 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [0,2,0,0,0,0|2,0,0]=4 10734 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [0,2,0,0,0,0|2,0,0]=4 10735 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200025704644 [0,2,0,0,0,0|2,0,0]=4 10736 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200025704644 [0,2,0,0,0,0|2,0,0]=4 10737 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 2230a_200011997520_200025704644 [0,2,0,0,0,0|2,0,0]=4 10738 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 34a_200011997520_200025704644 [0,2,0,0,0,0|2,0,0]=4 10739 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 2230a_200000706328_200025704644 [0,2,0,0,0,0|2,0,0]=4 10740 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 34a_200000706328_200025704644 [0,2,0,0,0,0|2,0,0]=4 10741 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [0,2,0,0,0,0|2,0,0]=4 10742 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200025704644 [0,2,0,0,0,0|2,0,0]=4 10743 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200025704644 [0,2,0,0,0,0|2,0,0]=4 10744 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 34a_100011830478_200025704644 [0,2,0,0,0,0|2,0,0]=4 10745 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 7a_100011830478_200025704644 [0,2,0,0,0,0|2,0,0]=4 10746 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 34a_100012921202_200025704644 [0,2,0,0,0,0|2,0,0]=4 10747 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 7a_100012921202_200025704644 [0,2,0,0,0,0|2,0,0]=4 10748 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 34a_100011934464_200025704644 [0,2,0,0,0,0|2,0,0]=4 10749 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 7a_100011934464_200025704644 [0,2,0,0,0,0|2,0,0]=4 10750 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 34a_100000690376_200025704644 [0,2,0,0,0,0|2,0,0]=4 10751 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 7a_100000690376_200025704644 [0,2,0,0,0,0|2,0,0]=4 10752 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200025704644 [0,2,0,0,0,0|2,0,0]=4 10753 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_200025704644_100011713676 [0,2,0,0,0,0|2,0,0]=4 10754 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_100012361305_200025704644 [0,2,0,0,0,0|2,0,0]=4 10755 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_200025704644_100012361305 [0,2,0,0,0,0|2,0,0]=4 10756 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_100000690553_200025704644 [0,2,0,0,0,0|2,0,0]=4 10757 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_200025704644_100000690553 [0,2,0,0,0,0|2,0,0]=4 10758 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [0,2,0,0,0,0|2,0,0]=4 10759 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,2,0,0,0,0|2,0,0]=4 10760 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,2,0,0,0,0|2,0,0]=4 10761 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,2,0,0,0,0|2,0,0]=4 10762 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,2,0,0,0,0|2,0,0]=4 10763 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,2,0,0,0,0|2,0,0]=4 10764 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,2,0,0,0,0|2,0,0]=4 10765 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,2,0,0,0,0|2,0,0]=4 10766 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,2,0,0,0,0|2,0,0]=4 10767 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,2,0,0,0,0|2,0,0]=4 10768 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,2,0,0,0,0|2,0,0]=4 10769 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,2,0,0,0,0|2,0,0]=4 10770 B12R1.3 C=CC(SCF)c1ccccc1 62a_100015361967_200000085779 [0,2,0,0,0,0|2,0,0]=4 10771 B12R1.3 C=CC(SCF)c1ccccc1 62a_200000085779_100015361967 [0,2,0,0,0,0|2,0,0]=4 10772 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|1,0,1]=4 10773 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|1,0,1]=4 10774 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|1,0,1]=4 10775 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|1,0,1]=4 10776 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,2,0,0,0,0|2,0,0]=4 10777 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,2,0,0,0,0|2,0,0]=4 10778 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,2,0,0,0,0|2,0,0]=4 10779 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,2,0,0,0,0|2,0,0]=4 10780 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,2,0,0,0,0|2,0,0]=4 10781 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,2,0,0,0,0|2,0,0]=4 10782 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,2,0,0,0,0|2,0,0]=4 10783 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,2,0,0,0,0|1,0,0]=3 10784 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,2,0,0,0,0|1,0,0]=3 10785 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,2,0,0,0,0|1,0,0]=3 10786 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,2,0,0,0,0|2,0,0]=4 10787 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,2,0,0,0,0|2,0,0]=4 10788 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,2,0,0,0,0|2,0,0]=4 10789 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,2,0,0,0,0|2,0,0]=4 10790 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,2,0,0,0,0|1,0,0]=3 10791 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,2,0,0,0,0|1,0,0]=3 10792 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,2,0,0,0,0|2,0,0]=4 10793 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,2,0,0,0,0|1,0,0]=3 10794 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,2,0,0,0,0|1,0,0]=3 10795 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,2,0,0,0,0|1,0,0]=3 10796 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,2,0,0,0,0|1,0,0]=3 10797 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,2,0,0,0,0|2,0,0]=4 10798 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,2,0,0,0,0|2,0,0]=4 10799 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,2,0,0,0,0|2,0,0]=4 10800 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,2,0,0,0,0|2,0,0]=4 10801 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,2,0,0,0,0|2,0,0]=4 10802 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,2,0,0,0,0|2,0,0]=4 10803 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [0,2,0,0,0,0|2,0,0]=4 10804 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [0,2,0,0,0,0|2,0,0]=4 10805 B12R1.3 CCN(CCF)c1ccccc1 2230a_100000210013_100011217306 [0,2,0,0,0,0|2,0,0]=4 10806 B12R1.3 CCN(CCF)c1ccccc1 269982a_100000210013_100011217306 [0,2,0,0,0,0|2,0,0]=4 10807 B12R1.3 CCN(CCF)c1ccccc1 34a_100000210013_100011217306 [0,2,0,0,0,0|2,0,0]=4 10808 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000210013_100000211926 [0,2,0,0,0,0|1,0,0]=3 10809 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000211345_100000210202 [0,2,0,0,0,0|1,0,0]=3 10810 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000210013_100000211926 [0,2,0,0,0,0|1,0,0]=3 10811 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000211345_100000204670 [0,2,0,0,0,0|1,0,0]=3 10812 B12R1.3 CCN(CCO)c1ccccc1 34a_100000210013_100000211926 [0,2,0,0,0,0|1,0,0]=3 10813 B12R1.3 CCN(CCO)c1ccccc1 34a_100000211345_100000210202 [0,2,0,0,0,0|1,0,0]=3 10814 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,2,0,0,0,0|2,0,0]=4 10815 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,2,0,0,0,0|2,0,0]=4 10816 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,2,0,0,0,0|2,0,0]=4 10817 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|2,0,0]=4 10818 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,2,0,0,0,0|2,0,0]=4 10819 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,2,0,0,0,0|2,0,0]=4 10820 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,2,0,0,0,0|2,0,0]=4 10821 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,2,0,0,0,0|2,0,0]=4 10822 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,2,0,0,0,0|2,0,0]=4 10823 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,2,0,0,0,0|2,0,0]=4 10824 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,2,0,0,0,0|2,0,0]=4 10825 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,2,0,0,0,0|1,0,0]=3 10826 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,2,0,0,0,0|1,0,0]=3 10827 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,2,0,0,0,0|2,0,0]=4 10828 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,2,0,0,0,0|0,0,0]=2 10829 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 10830 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 10831 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,2,0,0,0,0|1,0,0]=3 10832 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,2,0,0,0,0|2,0,0]=4 10833 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,2,0,0,0,0|2,0,0]=4 10834 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,2,0,0,0,0|2,0,0]=4 10835 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,2,0,0,0,0|2,0,0]=4 10836 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 10837 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 10838 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,2,0,0,0,0|1,0,1]=4 10839 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,2,0,0,0,0|1,0,0]=3 10840 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,2,0,0,0,0|1,0,0]=3 10841 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,2,0,0,0,0|1,0,0]=3 10842 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,2,0,0,0,0|1,0,0]=3 10843 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,2,0,0,0,0|2,0,0]=4 10844 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,2,0,0,0,0|2,0,0]=4 10845 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,2,0,0,0,0|2,0,0]=4 10846 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,2,0,0,0,0|2,0,0]=4 10847 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,2,0,0,0,0|2,0,0]=4 10848 B12R1.3 OCCN(CF)c1ccccc1 269982a_100000211345_100015361967 [0,2,0,0,0,0|1,0,0]=3 10849 B12R1.3 OCCN(CF)c1ccccc1 34a_100000211345_100015361967 [0,2,0,0,0,0|1,0,0]=3 10850 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|2,0,0]=4 10851 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,2,0,0,0,0|0,0,0]=2 10852 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,2,0,0,0,0|1,0,0]=3 10853 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,2,0,0,0,0|1,0,1]=4 10854 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,2,0,0,0,0|1,0,0]=3 10855 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,2,0,0,0,0|1,0,0]=3 10856 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,2,0,0,0,0|1,0,0]=3 10857 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,2,0,0,0,0|1,0,0]=3 10858 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,2,0,0,0,0|2,0,0]=4 10859 B12R1.17 CC(OCF)c1cccc(c1)Br 34a_100000246457_100015361967 [0,2,0,0,0,0|2,0,0]=4 10860 B12R1.17 CC(OCF)c1cccc(c1)Br 7a_100000246457_100015361967 [0,2,0,0,0,0|2,0,0]=4 10861 B12R1.17 CC(OCF)c1cccc(c1)F 34a_100000744526_100015361967 [0,2,0,0,0,0|2,0,0]=4 10862 B12R1.17 CC(OCF)c1cccc(c1)F 7a_100000744526_100015361967 [0,2,0,0,0,0|2,0,0]=4 10863 B12R1.17 CC(OCF)c1cccc(c1)I 34a_100013085317_100015361967 [0,2,0,0,0,0|2,0,0]=4 10864 B12R1.17 CC(OCF)c1cccc(c1)I 7a_100013085317_100015361967 [0,2,0,0,0,0|2,0,0]=4 10865 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [0,2,0,0,0,0|2,0,0]=4 10866 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [0,2,0,0,0,0|2,0,0]=4 10867 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,2,0,0,0,0|1,0,1]=4 10868 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|1,0,1]=4 10869 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,2,0,0,0,0|1,0,1]=4 10870 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,2,0,0,0,0|1,0,1]=4 10871 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,2,0,0,0,0|1,0,1]=4 10872 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,2,0,0,0,0|1,0,1]=4 10873 B12R1.17 CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210303 [0,2,0,0,0,0|2,0,0]=4 10874 B12R1.17 CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210303 [0,2,0,0,0,0|2,0,0]=4 10875 B12R1.17 CCCN(C)c1cccc(c1)Br 34a_100000219648_100000210303 [0,2,0,0,0,0|2,0,0]=4 10876 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 10877 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 10878 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,2,0,0,0,0|2,0,0]=4 10879 B12R1.17 CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210303 [0,2,0,0,0,0|2,0,0]=4 10880 B12R1.17 CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210303 [0,2,0,0,0,0|2,0,0]=4 10881 B12R1.17 CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210303 [0,2,0,0,0,0|2,0,0]=4 10882 B12R1.17 CCCN(C)c1cccc(c1)F 2230a_100020633736_100000210303 [0,2,0,0,0,0|2,0,0]=4 10883 B12R1.17 CCCN(C)c1cccc(c1)F 269982a_100020633736_100000210303 [0,2,0,0,0,0|2,0,0]=4 10884 B12R1.17 CCCN(C)c1cccc(c1)F 34a_100020633736_100000210303 [0,2,0,0,0,0|2,0,0]=4 10885 B12R1.17 CCCN(C)c1cccc(c1)I 2230a_100000221217_100000210303 [0,2,0,0,0,0|2,0,0]=4 10886 B12R1.17 CCCN(C)c1cccc(c1)I 269982a_100000221217_100000210303 [0,2,0,0,0,0|2,0,0]=4 10887 B12R1.17 CCCN(C)c1cccc(c1)I 34a_100000221217_100000210303 [0,2,0,0,0,0|2,0,0]=4 10888 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 10889 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 10890 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 10891 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,2,0,0,0,0|2,0,0]=4 10892 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,2,0,0,0,0|2,0,0]=4 10893 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,2,0,0,0,0|2,0,0]=4 10894 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,2,0,0,0,0|2,0,0]=4 10895 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,2,0,0,0,0|2,0,0]=4 10896 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,2,0,0,0,0|2,0,0]=4 10897 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,2,0,0,0,0|2,0,0]=4 10898 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,2,0,0,0,0|2,0,0]=4 10899 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,2,0,0,0,0|2,0,0]=4 10900 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,2,0,0,0,0|2,0,0]=4 10901 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,2,0,0,0,0|2,0,0]=4 10902 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,2,0,0,0,0|2,0,0]=4 10903 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,2,0,0,0,0|2,0,0]=4 10904 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,2,0,0,0,0|2,0,0]=4 10905 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,2,0,0,0,0|2,0,0]=4 10906 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,2,0,0,0,0|2,0,0]=4 10907 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,2,0,0,0,0|2,0,0]=4 10908 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,2,0,0,0,0|2,0,0]=4 10909 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,2,0,0,0,0|2,0,0]=4 10910 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,2,0,0,0,0|2,0,0]=4 10911 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,2,0,0,0,0|2,0,0]=4 10912 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,2,0,0,0,0|2,0,0]=4 10913 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 10914 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 10915 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,2,0,0,0,0|2,0,0]=4 10916 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,2,0,0,0,0|2,0,0]=4 10917 B12R1.17 CN(CCF)c1cccc(c1)Br 2230a_100000219648_100011217306 [0,2,0,0,0,0|2,0,0]=4 10918 B12R1.17 CN(CCF)c1cccc(c1)Br 269982a_100000219648_100011217306 [0,2,0,0,0,0|2,0,0]=4 10919 B12R1.17 CN(CCF)c1cccc(c1)Br 34a_100000219648_100011217306 [0,2,0,0,0,0|2,0,0]=4 10920 B12R1.17 CN(CCF)c1cccc(c1)Cl 2230a_100000220044_100011217306 [0,2,0,0,0,0|2,0,0]=4 10921 B12R1.17 CN(CCF)c1cccc(c1)Cl 269982a_100000220044_100011217306 [0,2,0,0,0,0|2,0,0]=4 10922 B12R1.17 CN(CCF)c1cccc(c1)Cl 34a_100000220044_100011217306 [0,2,0,0,0,0|2,0,0]=4 10923 B12R1.17 CN(CCF)c1cccc(c1)F 2230a_100020633736_100011217306 [0,2,0,0,0,0|2,0,0]=4 10924 B12R1.17 CN(CCF)c1cccc(c1)F 269982a_100020633736_100011217306 [0,2,0,0,0,0|2,0,0]=4 10925 B12R1.17 CN(CCF)c1cccc(c1)F 34a_100020633736_100011217306 [0,2,0,0,0,0|2,0,0]=4 10926 B12R1.17 CN(CCF)c1cccc(c1)I 2230a_100000221217_100011217306 [0,2,0,0,0,0|2,0,0]=4 10927 B12R1.17 CN(CCF)c1cccc(c1)I 269982a_100000221217_100011217306 [0,2,0,0,0,0|2,0,0]=4 10928 B12R1.17 CN(CCF)c1cccc(c1)I 34a_100000221217_100011217306 [0,2,0,0,0,0|2,0,0]=4 10929 B12R1.17 CN(CCF)c1cccc(c1)O 2230a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 10930 B12R1.17 CN(CCF)c1cccc(c1)O 269982a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 10931 B12R1.17 CN(CCF)c1cccc(c1)O 34a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 10932 B12R1.17 CN(CCO)c1cc(ccn1)F 27a_100000210263_100000764206 [0,2,0,0,0,0|2,0,0]=4 10933 B12R1.17 CN(CCO)c1cc[nH]c(=O)c1 27a_100000210263_100000061649 [0,2,0,0,0,0|2,0,0]=4 10934 B12R1.17 CN(CCO)c1cccc(c1)Br 2230a_100000219648_100000211926 [0,2,0,0,0,0|1,0,0]=3 10935 B12R1.17 CN(CCO)c1cccc(c1)Br 269982a_100000219648_100000211926 [0,2,0,0,0,0|1,0,0]=3 10936 B12R1.17 CN(CCO)c1cccc(c1)Br 34a_100000219648_100000211926 [0,2,0,0,0,0|1,0,0]=3 10937 B12R1.17 CN(CCO)c1cccc(c1)Cl 2230a_100000220044_100000211926 [0,2,0,0,0,0|1,0,0]=3 10938 B12R1.17 CN(CCO)c1cccc(c1)Cl 269982a_100000220044_100000211926 [0,2,0,0,0,0|1,0,0]=3 10939 B12R1.17 CN(CCO)c1cccc(c1)Cl 34a_100000220044_100000211926 [0,2,0,0,0,0|1,0,0]=3 10940 B12R1.17 CN(CCO)c1cccc(c1)F 2230a_100020633736_100000211926 [0,2,0,0,0,0|1,0,0]=3 10941 B12R1.17 CN(CCO)c1cccc(c1)F 269982a_100020633736_100000211926 [0,2,0,0,0,0|1,0,0]=3 10942 B12R1.17 CN(CCO)c1cccc(c1)F 34a_100020633736_100000211926 [0,2,0,0,0,0|1,0,0]=3 10943 B12R1.17 CN(CCO)c1cccc(c1)I 2230a_100000221217_100000211926 [0,2,0,0,0,0|1,0,0]=3 10944 B12R1.17 CN(CCO)c1cccc(c1)I 269982a_100000221217_100000211926 [0,2,0,0,0,0|1,0,0]=3 10945 B12R1.17 CN(CCO)c1cccc(c1)I 34a_100000221217_100000211926 [0,2,0,0,0,0|1,0,0]=3 10946 B12R1.17 CN(CCO)c1cccc(c1)O 2230a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 10947 B12R1.17 CN(CCO)c1cccc(c1)O 269982a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 10948 B12R1.17 CN(CCO)c1cccc(c1)O 34a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 10949 B12R1.17 CN(CCO)c1cccc(n1)F 27a_100000210263_100009815982 [0,2,0,0,0,0|2,0,0]=4 10950 B12R1.17 CN(CCO)c1ccnc(c1)F 27a_100000210263_100009816116 [0,2,0,0,0,0|2,0,0]=4 10951 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,2,0,0,0,0|2,0,0]=4 10952 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,2,0,0,0,0|2,0,0]=4 10953 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,2,0,0,0,0|2,0,0]=4 10954 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,2,0,0,0,0|2,0,0]=4 10955 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|2,0,0]=4 10956 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,2,0,0,0,0|2,0,0]=4 10957 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,2,0,0,0,0|2,0,0]=4 10958 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,2,0,0,0,0|2,0,0]=4 10959 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 34a_100000747380_100015361967 [0,2,0,0,0,0|2,0,0]=4 10960 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 7a_100000747380_100015361967 [0,2,0,0,0,0|2,0,0]=4 10961 B12R1.17 Cc1cc(ccn1)N(C)CCO 27a_100000210263_100000758586 [0,2,0,0,0,0|2,0,0]=4 10962 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|1,0,1]=4 10963 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|0,0,1]=3 10964 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [0,2,0,0,0,0|2,0,0]=4 10965 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [0,2,0,0,0,0|2,0,0]=4 10966 B12R1.17 Cc1cccc(c1)N(C)CCF 2230a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 10967 B12R1.17 Cc1cccc(c1)N(C)CCF 269982a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 10968 B12R1.17 Cc1cccc(c1)N(C)CCF 34a_100000219674_100011217306 [0,2,0,0,0,0|2,0,0]=4 10969 B12R1.17 Cc1cccc(c1)N(C)CCO 2230a_100000219674_100000211926 [0,2,0,0,0,0|1,0,0]=3 10970 B12R1.17 Cc1cccc(c1)N(C)CCO 269982a_100000219674_100000211926 [0,2,0,0,0,0|1,0,0]=3 10971 B12R1.17 Cc1cccc(c1)N(C)CCO 34a_100000219674_100000211926 [0,2,0,0,0,0|1,0,0]=3 10972 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,2,0,0,0,0|2,0,0]=4 10973 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|2,0,0]=4 10974 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,2,0,0,0,0|0,0,0]=2 10975 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,2,0,0,0,0|1,0,1]=4 10976 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,2,0,0,0,0|1,0,1]=4 10977 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,2,0,0,0,0|1,0,1]=4 10978 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,2,0,0,0,0|1,0,1]=4 10979 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,2,0,0,0,0|1,0,1]=4 10980 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,2,0,0,0,0|0,0,1]=3 10981 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,2,0,0,0,0|0,0,1]=3 10982 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,2,0,0,0,0|0,0,1]=3 10983 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,2,0,0,0,0|0,0,1]=3 10984 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,2,0,0,0,0|0,0,1]=3 10985 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,2,0,0,0,0|2,0,0]=4 10986 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,2,0,0,0,0|2,0,0]=4 10987 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,2,0,0,0,0|2,0,0]=4 10988 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,2,0,0,0,0|2,0,0]=4 10989 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,2,0,0,0,0|2,0,0]=4 10990 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,2,0,0,0,0|1,0,1]=4 10991 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [0,2,0,0,0,0|1,0,1]=4 10992 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [0,2,0,0,0,0|1,0,1]=4 10993 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [0,2,0,0,0,0|1,0,1]=4 10994 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,2,0,0,0,0|1,0,1]=4 10995 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,2,0,0,0,0|1,0,1]=4 10996 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|1,0,1]=4 10997 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|1,0,1]=4 10998 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|1,0,1]=4 10999 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [0,2,0,0,0,0|1,0,1]=4 11000 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|1,0,1]=4 11001 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,2,0,0,0,0|1,0,1]=4 11002 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,2,0,0,0,0|1,0,1]=4 11003 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,2,0,0,0,0|1,0,1]=4 11004 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,2,0,0,0,0|1,0,1]=4 11005 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,2,0,0,0,0|1,0,1]=4 11006 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|1,0,1]=4 11007 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|1,0,1]=4 11008 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|1,0,1]=4 11009 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,2,0,0,0,0|1,0,1]=4 11010 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,2,0,0,0,0|1,0,1]=4 11011 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,2,0,0,0,0|1,0,0]=3 11012 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,2,0,0,0,0|1,0,0]=3 11013 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,2,0,0,0,0|1,0,0]=3 11014 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,2,0,0,0,0|1,0,0]=3 11015 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,2,0,0,0,0|1,0,0]=3 11016 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,2,0,0,0,0|1,0,0]=3 11017 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,2,0,0,0,0|1,0,0]=3 11018 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,2,0,0,0,0|2,0,0]=4 11019 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,2,0,0,0,0|2,0,0]=4 11020 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [0,2,0,0,0,0|2,0,0]=4 11021 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [0,2,0,0,0,0|2,0,0]=4 11022 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [0,2,0,0,0,0|2,0,0]=4 11023 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [0,2,0,0,0,0|2,0,0]=4 11024 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|0,0,0]=2 11025 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|0,0,0]=2 11026 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|0,0,0]=2 11027 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,2,0,0,0,0|1,0,0]=3 11028 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,2,0,0,0,0|1,0,0]=3 11029 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [0,2,0,0,0,0|1,0,0]=3 11030 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [0,2,0,0,0,0|1,0,0]=3 11031 B12R1.30 CC(NCCO)c1cccnn1 269862a_100000210304_100009866853 [0,2,0,0,0,0|2,0,0]=4 11032 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [0,2,0,0,0,0|1,0,0]=3 11033 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [0,2,0,0,0,0|1,0,0]=3 11034 B12R1.30 CC(NCCO)c1ccnnc1 269862a_100000210304_100012182992 [0,2,0,0,0,0|2,0,0]=4 11035 B12R1.30 CC(NCCO)c1cnccn1 2230a_100016997473_200000703233 [0,2,0,0,0,0|2,0,0]=4 11036 B12R1.30 CC(NCCO)c1cnccn1 269862a_100000210304_100000751083 [0,2,0,0,0,0|2,0,0]=4 11037 B12R1.30 CC(NCCO)c1cncnc1 269862a_100000210304_100000757475 [0,2,0,0,0,0|2,0,0]=4 11038 B12R1.30 CC(NCCO)c1ncccn1 2230a_100020641698_100000211926 [0,2,0,0,0,0|2,0,0]=4 11039 B12R1.30 CC(NCCO)c1ncccn1 270004a_100000210304_100011350828 [0,2,0,0,0,0|2,0,0]=4 11040 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,2,0,0,0,0|1,0,0]=3 11041 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,2,0,0,0,0|1,0,0]=3 11042 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [0,2,0,0,0,0|1,0,1]=4 11043 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [0,2,0,0,0,0|1,0,1]=4 11044 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|0,0,2]=4 11045 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|0,0,2]=4 11046 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,2,0,0,0,0|1,0,0]=3 11047 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,2,0,0,0,0|1,0,0]=3 11048 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,2,0,0,0,0|0,0,0]=2 11049 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,2,0,0,0,0|0,0,0]=2 11050 B12R1.30 CC(SCCO)c1cnccn1 62a_100000211926_200000703233 [0,2,0,0,0,0|2,0,0]=4 11051 B12R1.30 CC(SCCO)c1cnccn1 62a_200000703233_100000211926 [0,2,0,0,0,0|2,0,0]=4 11052 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|1,0,0]=3 11053 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,2,0,0,0,0|1,0,0]=3 11054 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,2,0,0,0,0|1,0,0]=3 11055 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,2,0,0,0,0|1,0,0]=3 11056 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,2,0,0,0,0|1,0,0]=3 11057 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,2,0,0,0,0|1,0,0]=3 11058 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,2,0,0,0,0|1,0,0]=3 11059 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,2,0,0,0,0|1,0,0]=3 11060 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,2,0,0,0,0|1,0,0]=3 11061 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,2,0,0,0,0|1,0,0]=3 11062 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,2,0,0,0,0|1,0,1]=4 11063 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,2,0,0,0,0|1,0,1]=4 11064 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,2,0,0,0,0|1,0,1]=4 11065 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,2,0,0,0,0|1,0,1]=4 11066 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,2,0,0,0,0|1,0,0]=3 11067 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,2,0,0,0,0|2,0,0]=4 11068 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,2,0,0,0,0|2,0,0]=4 11069 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,2,0,0,0,0|2,0,0]=4 11070 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,2,0,0,0,0|2,0,0]=4 11071 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,2,0,0,0,0|2,0,0]=4 11072 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,2,0,0,0,0|2,0,0]=4 11073 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,2,0,0,0,0|1,0,0]=3 11074 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|1,0,0]=3 11075 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|1,0,0]=3 11076 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|1,0,0]=3 11077 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,2,0,0,0,0|1,0,0]=3 11078 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,2,0,0,0,0|1,0,0]=3 11079 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,2,0,0,0,0|1,0,0]=3 11080 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,2,0,0,0,0|1,0,0]=3 11081 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,2,0,0,0,0|1,0,0]=3 11082 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,2,0,0,0,0|1,0,0]=3 11083 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,2,0,0,0,0|1,0,0]=3 11084 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,2,0,0,0,0|1,0,0]=3 11085 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,2,0,0,0,0|2,0,0]=4 11086 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,2,0,0,0,0|2,0,0]=4 11087 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,2,0,0,0,0|1,0,0]=3 11088 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,2,0,0,0,0|1,0,0]=3 11089 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,2,0,0,0,0|1,0,0]=3 11090 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,2,0,0,0,0|1,0,0]=3 11091 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,2,0,0,0,0|1,0,0]=3 11092 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,2,0,0,0,0|2,0,0]=4 11093 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|1,0,0]=3 11094 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,2,0,0,0,0|2,0,0]=4 11095 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,2,0,0,0,0|1,0,0]=3 11096 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,2,0,0,0,0|1,0,1]=4 11097 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,2,0,0,0,0|1,0,1]=4 11098 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,2,0,0,0,0|1,0,0]=3 11099 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,2,0,0,0,0|1,0,0]=3 11100 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,2,0,0,0,0|1,0,0]=3 11101 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,2,0,0,0,0|1,0,0]=3 11102 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,2,0,0,0,0|2,0,0]=4 11103 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,2,0,0,0,0|1,0,0]=3 11104 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,2,0,0,0,0|1,0,0]=3 11105 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [0,2,0,0,0,0|1,0,1]=4 11106 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [0,2,0,0,0,0|1,0,1]=4 11107 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [0,2,0,0,0,0|1,0,1]=4 11108 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,2,0,0,0,0|1,0,0]=3 11109 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,2,0,0,0,0|1,0,0]=3 11110 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,2,0,0,0,0|1,0,0]=3 11111 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,2,0,0,0,0|0,0,0]=2 11112 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,2,0,0,0,0|0,0,0]=2 11113 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,2,0,0,0,0|0,0,0]=2 11114 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,2,0,0,0,0|0,0,0]=2 11115 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,2,0,0,0,0|0,0,0]=2 11116 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|0,0,0]=2 11117 B12R1.30 CN(CCCO)c1cccnn1 27a_100000213112_100016991348 [0,2,0,0,0,0|2,0,0]=4 11118 B12R1.30 CN(CCCO)c1ccncn1 27a_100000213112_100000703185 [0,2,0,0,0,0|2,0,0]=4 11119 B12R1.30 CN(CCCO)c1cnccn1 27a_100000213112_100000211759 [0,2,0,0,0,0|2,0,0]=4 11120 B12R1.30 CN(CCCO)c1ncccn1 27a_100000213112_100000211032 [0,2,0,0,0,0|2,0,0]=4 11121 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|1,0,1]=4 11122 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|1,0,1]=4 11123 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,2,0,0,0,0|1,0,0]=3 11124 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,2,0,0,0,0|1,0,0]=3 11125 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,2,0,0,0,0|2,0,0]=4 11126 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,2,0,0,0,0|2,0,0]=4 11127 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,2,0,0,0,0|1,0,0]=3 11128 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,2,0,0,0,0|1,0,0]=3 11129 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,2,0,0,0,0|1,0,0]=3 11130 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|0,0,1]=3 11131 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,2,0,0,0,0|1,0,0]=3 11132 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,2,0,0,0,0|1,0,0]=3 11133 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,2,0,0,0,0|1,0,0]=3 11134 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,2,0,0,0,0|0,0,0]=2 11135 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,2,0,0,0,0|0,0,0]=2 11136 B12R1.30 COCNC(C)c1ccccn1 2230a_100000181244_100000766300 [0,2,0,0,0,0|2,0,0]=4 11137 B12R1.30 COCNC(C)c1cccnc1 2230a_100000195435_100000766300 [0,2,0,0,0,0|2,0,0]=4 11138 B12R1.30 COCNC(C)c1ccncc1 2230a_100000181269_100000766300 [0,2,0,0,0,0|2,0,0]=4 11139 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|1,0,0]=3 11140 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,2,0,0,0,0|1,0,0]=3 11141 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,2,0,0,0,0|1,0,0]=3 11142 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|0,1,1]=4 11143 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|0,1,1]=4 11144 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|0,1,1]=4 11145 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,2,0,0,0,0|1,1,0]=4 11146 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,2,0,0,0,0|1,1,0]=4 11147 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,2,0,0,0,0|1,1,0]=4 11148 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,2,0,0,0,0|1,1,0]=4 11149 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,2,0,0,0,0|0,1,0]=3 11150 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,2,0,0,0,0|0,1,0]=3 11151 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,2,0,0,0,0|1,1,0]=4 11152 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|1,1,0]=4 11153 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,2,0,0,0,0|1,1,0]=4 11154 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,2,0,0,0,0|1,1,0]=4 11155 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,2,0,0,0,0|1,0,1]=4 11156 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|0,0,2]=4 11157 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,2,0,0,0,0|1,0,0]=3 11158 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|0,0,0]=2 11159 B12R1.30 C[C@@H](NCCO)c1cnccn1 2230a_100020589798_100000211926 [0,2,0,0,0,0|2,0,0]=4 11160 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,1]=4 11161 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|0,0,2]=4 11162 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|0,0,2]=4 11163 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,2,0,0,0,0|1,0,0]=3 11164 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,2,0,0,0,0|1,0,0]=3 11165 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|0,0,0]=2 11166 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|0,0,0]=2 11167 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|1,0,1]=4 11168 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|1,0,0]=3 11169 B12R1.30 N[C@H](COCF)c1ccncc1 34a_100138412524_100015361967 [0,2,0,0,0,0|2,0,0]=4 11170 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,2,0,0,0,0|1,0,0]=3 11171 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|0,0,0]=2 11172 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,2,0,0,0,0|1,0,1]=4 11173 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,2,0,0,0,0|1,0,1]=4 11174 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,2,0,0,0,0|1,0,1]=4 11175 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,2,0,0,0,0|1,0,1]=4 11176 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,2,0,0,0,0|1,0,1]=4 11177 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,2,0,0,0,0|1,0,1]=4 11178 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,2,0,0,0,0|0,0,1]=3 11179 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,2,0,0,0,0|0,0,1]=3 11180 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,2,0,0,0,0|2,0,0]=4 11181 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,2,0,0,0,0|1,0,0]=3 11182 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,2,0,0,0,0|1,0,0]=3 11183 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,2,0,0,0,0|1,0,0]=3 11184 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,2,0,0,0,0|1,0,0]=3 11185 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [0,2,0,0,0,0|1,0,1]=4 11186 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,2,0,0,0,0|0,0,0]=2 11187 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,2,0,0,0,0|0,0,0]=2 11188 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|0,0,0]=2 11189 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,2,0,0,0,0|1,0,0]=3 11190 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,2,0,0,0,0|0,0,0]=2 11191 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|0,1,1]=4 11192 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|0,1,1]=4 11193 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,2,0,0,0,0|1,1,0]=4 11194 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,2,0,0,0,0|0,1,0]=3 11195 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,2,0,0,0,0|0,1,0]=3 11196 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,2,0,0,0,0|0,0,1]=3 11197 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,2,0,0,0,0|1,0,0]=3 11198 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,2,0,0,0,0|1,0,0]=3 11199 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,2,0,0,0,0|2,0,0]=4 11200 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,2,0,0,0,0|1,0,1]=4 11201 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,2,0,0,0,0|1,0,1]=4 11202 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,2,0,0,0,0|1,0,1]=4 11203 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,2,0,0,0,0|1,0,1]=4 11204 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,2,0,0,0,0|1,0,1]=4 11205 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,2,0,0,0,0|2,0,0]=4 11206 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,2,0,0,0,0|2,0,0]=4 11207 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,2,0,0,0,0|2,0,0]=4 11208 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,2,0,0,0,0|2,0,0]=4 11209 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,2,0,0,0,0|2,0,0]=4 11210 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,2,0,0,0,0|2,0,0]=4 11211 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,2,0,0,0,0|2,0,0]=4 11212 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,2,0,0,0,0|1,0,1]=4 11213 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,2,0,0,0,0|2,0,0]=4 11214 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,2,0,0,0,0|1,0,1]=4 11215 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,2,0,0,0,0|1,0,0]=3 11216 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,2,0,0,0,0|2,0,0]=4 11217 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,2,0,0,0,0|1,0,1]=4 11218 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,2,0,0,0,0|1,0,1]=4 11219 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [0,2,0,0,0,0|2,0,0]=4 11220 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [0,2,0,0,0,0|2,0,0]=4 11221 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [0,2,0,0,0,0|2,0,0]=4 11222 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [0,2,0,0,0,0|2,0,0]=4 11223 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [0,2,0,0,0,0|2,0,0]=4 11224 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100000034625_100015361967 [0,2,0,0,0,0|2,0,0]=4 11225 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100015361967_100000034625 [0,2,0,0,0,0|2,0,0]=4 11226 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,2,0,0,0,0|2,0,0]=4 11227 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,2,0,0,0,0|2,0,0]=4 11228 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,2,0,0,0,0|2,0,0]=4 11229 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [0,2,0,0,0,0|2,0,0]=4 11230 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [0,2,0,0,0,0|2,0,0]=4 11231 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [0,2,0,0,0,0|2,0,0]=4 11232 B12R1.39 CCSC(F)(F)c1ccccc1 62a_100000210202_100000036403 [0,2,0,0,0,0|2,0,0]=4 11233 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [0,2,0,0,0,0|2,0,0]=4 11234 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,2,0,0,0,0|2,0,0]=4 11235 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [0,2,0,0,0,0|2,0,0]=4 11236 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [0,2,0,0,0,0|2,0,0]=4 11237 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [0,2,0,0,0,0|2,0,0]=4 11238 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [0,2,0,0,0,0|2,0,0]=4 11239 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [0,2,0,0,0,0|2,0,0]=4 11240 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [0,2,0,0,0,0|2,0,0]=4 11241 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [0,2,0,0,0,0|2,0,0]=4 11242 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [0,2,0,0,0,0|2,0,0]=4 11243 B12R1.39 FCSC(F)(F)c1ccccc1 62a_100015361967_100000036403 [0,2,0,0,0,0|2,0,0]=4 11244 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [0,2,0,0,0,0|2,0,0]=4 11245 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [0,2,0,0,0,0|2,0,0]=4 11246 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [0,2,0,0,0,0|2,0,0]=4 11247 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|0,0,2]=4 11248 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|0,0,2]=4 11249 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|0,0,2]=4 11250 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|0,0,2]=4 11251 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|0,0,2]=4 11252 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,2,0,0,0,0|1,0,1]=4 11253 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,2,0,0,0,0|2,0,0]=4 11254 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,2,0,0,0,0|2,0,0]=4 11255 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,2,0,0,0,0|2,0,0]=4 11256 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,2,0,0,0,0|1,0,0]=3 11257 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,2,0,0,0,0|2,0,0]=4 11258 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,2,0,0,0,0|2,0,0]=4 11259 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,2,0,0,0,0|2,0,0]=4 11260 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,2,0,0,0,0|2,0,0]=4 11261 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,2,0,0,0,0|2,0,0]=4 11262 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,2,0,0,0,0|2,0,0]=4 11263 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,2,0,0,0,0|2,0,0]=4 11264 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,2,0,0,0,0|2,0,0]=4 11265 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,2,0,0,0,0|2,0,0]=4 11266 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,2,0,0,0,0|2,0,0]=4 11267 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,2,0,0,0,0|2,0,0]=4 11268 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|0,0,2]=4 11269 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,2,0,0,0,0|2,0,0]=4 11270 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,2,0,0,0,0|2,0,0]=4 11271 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,2,0,0,0,0|2,0,0]=4 11272 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,2,0,0,0,0|0,0,1]=3 11273 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,2,0,0,0,0|1,0,0]=3 11274 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,2,0,0,0,0|1,0,0]=3 11275 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,2,0,0,0,0|1,0,0]=3 11276 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,2,0,0,0,0|2,0,0]=4 11277 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,2,0,0,0,0|2,0,0]=4 11278 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,2,0,0,0,0|2,0,0]=4 11279 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,2,0,0,0,0|2,0,0]=4 11280 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,2,0,0,0,0|1,0,1]=4 11281 B12R1.107 CN(CC(F)F)c1ccccc1 2230a_100000210012_100011934356 [0,2,0,0,0,0|2,0,0]=4 11282 B12R1.107 CN(CC(F)F)c1ccccc1 269982a_100000210012_100011934356 [0,2,0,0,0,0|2,0,0]=4 11283 B12R1.107 CN(CC(F)F)c1ccccc1 34a_100000210012_100011934356 [0,2,0,0,0,0|2,0,0]=4 11284 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,2,0,0,0,0|2,0,0]=4 11285 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,2,0,0,0,0|2,0,0]=4 11286 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,2,0,0,0,0|1,0,0]=3 11287 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,2,0,0,0,0|1,0,0]=3 11288 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,2,0,0,0,0|1,0,0]=3 11289 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,2,0,0,0,0|1,0,1]=4 11290 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|0,0,2]=4 11291 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,2,0,0,0,0|1,0,1]=4 11292 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,2,0,0,0,0|2,0,0]=4 11293 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,2,0,0,0,0|2,0,0]=4 11294 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [0,2,0,0,0,0|2,0,0]=4 11295 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [0,2,0,0,0,0|2,0,0]=4 11296 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,2,0,0,0,0|2,0,0]=4 11297 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,2,0,0,0,0|2,0,0]=4 11298 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [0,2,0,0,0,0|2,0,0]=4 11299 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [0,2,0,0,0,0|2,0,0]=4 11300 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [0,2,0,0,0,0|2,0,0]=4 11301 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100000181259_100015361967 [0,2,0,0,0,0|2,0,0]=4 11302 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100015361967_100000181259 [0,2,0,0,0,0|2,0,0]=4 11303 B12R1.308 CC(SCF)c1ccccc1F 62a_100015361967_200000741388 [0,2,0,0,0,0|2,0,0]=4 11304 B12R1.308 CC(SCF)c1ccccc1F 62a_200000741388_100015361967 [0,2,0,0,0,0|2,0,0]=4 11305 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,2,0,0,0,0|1,0,1]=4 11306 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,2,0,0,0,0|1,0,1]=4 11307 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,2,0,0,0,0|1,0,1]=4 11308 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,2,0,0,0,0|1,0,1]=4 11309 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,2,0,0,0,0|1,0,1]=4 11310 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|1,0,1]=4 11311 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,2,0,0,0,0|1,0,1]=4 11312 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 11313 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 11314 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 11315 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 11316 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 11317 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 11318 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 11319 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 11320 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 11321 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 11322 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 11323 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 11324 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 11325 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 11326 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 11327 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 11328 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,2,0,0,0,0|2,0,0]=4 11329 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 11330 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 11331 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 11332 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,2,0,0,0,0|2,0,0]=4 11333 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,2,0,0,0,0|2,0,0]=4 11334 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,2,0,0,0,0|2,0,0]=4 11335 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,2,0,0,0,0|2,0,0]=4 11336 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,2,0,0,0,0|2,0,0]=4 11337 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,2,0,0,0,0|2,0,0]=4 11338 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,2,0,0,0,0|2,0,0]=4 11339 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,2,0,0,0,0|2,0,0]=4 11340 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,2,0,0,0,0|2,0,0]=4 11341 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,2,0,0,0,0|2,0,0]=4 11342 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,2,0,0,0,0|2,0,0]=4 11343 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,2,0,0,0,0|2,0,0]=4 11344 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,2,0,0,0,0|2,0,0]=4 11345 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,2,0,0,0,0|2,0,0]=4 11346 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,2,0,0,0,0|2,0,0]=4 11347 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,2,0,0,0,0|2,0,0]=4 11348 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,2,0,0,0,0|2,0,0]=4 11349 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,2,0,0,0,0|2,0,0]=4 11350 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,2,0,0,0,0|2,0,0]=4 11351 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,2,0,0,0,0|2,0,0]=4 11352 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,2,0,0,0,0|2,0,0]=4 11353 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,2,0,0,0,0|2,0,0]=4 11354 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,2,0,0,0,0|2,0,0]=4 11355 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,2,0,0,0,0|2,0,0]=4 11356 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,2,0,0,0,0|2,0,0]=4 11357 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,2,0,0,0,0|2,0,0]=4 11358 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,2,0,0,0,0|2,0,0]=4 11359 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,2,0,0,0,0|2,0,0]=4 11360 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,2,0,0,0,0|2,0,0]=4 11361 B12R1.308 CN(CCF)c1ccccc1Br 2230a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 11362 B12R1.308 CN(CCF)c1ccccc1Br 269982a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 11363 B12R1.308 CN(CCF)c1ccccc1Br 34a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 11364 B12R1.308 CN(CCF)c1ccccc1Cl 2230a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 11365 B12R1.308 CN(CCF)c1ccccc1Cl 269982a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 11366 B12R1.308 CN(CCF)c1ccccc1Cl 34a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 11367 B12R1.308 CN(CCF)c1ccccc1F 2230a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 11368 B12R1.308 CN(CCF)c1ccccc1F 269982a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 11369 B12R1.308 CN(CCF)c1ccccc1F 34a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 11370 B12R1.308 CN(CCF)c1ccccc1F 38a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 11371 B12R1.308 CN(CCF)c1ccccc1O 269982a_100000033821_100011217306 [0,2,0,0,0,0|2,0,0]=4 11372 B12R1.308 CN(CCO)c1ccccc1Br 2230a_100020606079_100000211926 [0,2,0,0,0,0|1,0,0]=3 11373 B12R1.308 CN(CCO)c1ccccc1Br 269982a_100020606079_100000211926 [0,2,0,0,0,0|1,0,0]=3 11374 B12R1.308 CN(CCO)c1ccccc1Br 34a_100020606079_100000211926 [0,2,0,0,0,0|1,0,0]=3 11375 B12R1.308 CN(CCO)c1ccccc1Cl 2230a_100000219374_100000211926 [0,2,0,0,0,0|1,0,0]=3 11376 B12R1.308 CN(CCO)c1ccccc1Cl 269982a_100000219374_100000211926 [0,2,0,0,0,0|1,0,0]=3 11377 B12R1.308 CN(CCO)c1ccccc1Cl 34a_100000219374_100000211926 [0,2,0,0,0,0|1,0,0]=3 11378 B12R1.308 CN(CCO)c1ccccc1F 2230a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 11379 B12R1.308 CN(CCO)c1ccccc1F 269982a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 11380 B12R1.308 CN(CCO)c1ccccc1F 34a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 11381 B12R1.308 CN(CCO)c1ccccc1F 38a_100000220357_100000211926 [0,2,0,0,0,0|1,0,0]=3 11382 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,2,0,0,0,0|1,0,0]=3 11383 B12R1.308 CN(CCO)c1ccncc1Br 27a_100000210263_100000726257 [0,2,0,0,0,0|2,0,0]=4 11384 B12R1.308 CN(CCO)c1ccncc1F 27a_100000210263_100000035921 [0,2,0,0,0,0|2,0,0]=4 11385 B12R1.308 CN(CCO)c1ncccc1Br 27a_100000210263_100000696092 [0,2,0,0,0,0|2,0,0]=4 11386 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,2,0,0,0,0|2,0,0]=4 11387 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,2,0,0,0,0|2,0,0]=4 11388 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|2,0,0]=4 11389 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|2,0,0]=4 11390 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|2,0,0]=4 11391 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|2,0,0]=4 11392 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,2,0,0,0,0|1,0,1]=4 11393 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|0,0,1]=3 11394 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,2,0,0,0,0|2,0,0]=4 11395 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [0,2,0,0,0,0|2,0,0]=4 11396 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [0,2,0,0,0,0|2,0,0]=4 11397 B12R1.308 Cc1ccccc1N(C)CCF 2230a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 11398 B12R1.308 Cc1ccccc1N(C)CCF 269982a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 11399 B12R1.308 Cc1ccccc1N(C)CCF 34a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 11400 B12R1.308 Cc1ccccc1N(C)CCO 2230a_100000219699_100000211926 [0,2,0,0,0,0|1,0,0]=3 11401 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100000219699_100000211926 [0,2,0,0,0,0|1,0,0]=3 11402 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100011233185_200000210301 [0,2,0,0,0,0|1,0,0]=3 11403 B12R1.308 Cc1ccccc1N(C)CCO 34a_100000219699_100000211926 [0,2,0,0,0,0|1,0,0]=3 11404 B12R1.308 Cc1ccccc1N(C)CCO 34a_100011233185_200000210301 [0,2,0,0,0,0|1,0,0]=3 11405 B12R1.308 Cc1ccccc1N([13CH3])CCO 269982a_100011233185_200025704644 [0,2,0,0,0,0|1,0,0]=3 11406 B12R1.308 Cc1ccccc1N([13CH3])CCO 34a_100011233185_200025704644 [0,2,0,0,0,0|1,0,0]=3 11407 B12R1.308 Cc1cnccc1N(C)CCO 27a_100000210263_100000765111 [0,2,0,0,0,0|2,0,0]=4 11408 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,2,0,0,0,0|1,0,1]=4 11409 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,2,0,0,0,0|1,0,1]=4 11410 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,2,0,0,0,0|1,0,1]=4 11411 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,2,0,0,0,0|1,0,1]=4 11412 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|1,0,1]=4 11413 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,2,0,0,0,0|1,0,1]=4 11414 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,2,0,0,0,0|0,0,1]=3 11415 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,2,0,0,0,0|0,0,1]=3 11416 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,2,0,0,0,0|0,0,1]=3 11417 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,2,0,0,0,0|0,0,1]=3 11418 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|0,0,1]=3 11419 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,2,0,0,0,0|0,0,1]=3 11420 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,2,0,0,0,0|2,0,0]=4 11421 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,2,0,0,0,0|2,0,0]=4 11422 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|2,0,0]=4 11423 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|2,0,0]=4 11424 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|2,0,0]=4 11425 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|2,0,0]=4 11426 B12R1.25 CCCCc1cccc(=O)n1C 271570a_100020621405_100000726605 [0,2,0,0,0,0|2,0,0]=4 11427 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [0,2,0,0,0,0|1,0,0]=3 11428 B12R1.25 CCCCc1cccc(c1C)Br 271570a_100020621405_100012353703 [0,2,0,0,0,0|1,0,0]=3 11429 B12R1.25 CCCCc1cccc(c1C)C 271570a_100020621405_100011214922 [0,2,0,0,0,0|1,0,0]=3 11430 B12R1.25 CCCCc1cccc(c1C)Cl 271570a_100020621405_100000726075 [0,2,0,0,0,0|1,0,0]=3 11431 B12R1.25 CCCCc1cccc(c1C)F 271570a_100020621405_100011216893 [0,2,0,0,0,0|1,0,0]=3 11432 B12R1.25 CCCCc1cccc(c1C)N 271570a_100020621405_100000761887 [0,2,0,0,0,0|1,0,0]=3 11433 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [0,2,0,0,0,0|1,0,0]=3 11434 B12R1.25 CCCCc1cccc(c1Cl)Br 271570a_100020621405_100010142854 [0,2,0,0,0,0|1,0,0]=3 11435 B12R1.25 CCCCc1cccc(c1Cl)C 271570a_100020621405_200012352035 [0,2,0,0,0,0|1,0,0]=3 11436 B12R1.25 CCCCc1cccc(c1Cl)Cl 271570a_100020621405_100011215384 [0,2,0,0,0,0|1,0,0]=3 11437 B12R1.25 CCCCc1cccc(c1Cl)F 271570a_100020621405_200010234923 [0,2,0,0,0,0|1,0,0]=3 11438 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [0,2,0,0,0,0|1,0,0]=3 11439 B12R1.25 CCCCc1cccc(c1F)Br 271570a_100020621405_100000702267 [0,2,0,0,0,0|1,0,0]=3 11440 B12R1.25 CCCCc1cccc(c1F)C 271570a_100020621405_100000717567 [0,2,0,0,0,0|1,0,0]=3 11441 B12R1.25 CCCCc1cccc(c1F)Cl 271570a_100020621405_100011217346 [0,2,0,0,0,0|1,0,0]=3 11442 B12R1.25 CCCCc1cccc(c1F)F 271570a_100020621405_100000694657 [0,2,0,0,0,0|1,0,0]=3 11443 B12R1.25 CCCCc1cccc(c1F)N 271570a_100020621405_100011935091 [0,2,0,0,0,0|1,0,0]=3 11444 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [0,2,0,0,0,0|1,0,0]=3 11445 B12R1.25 CCCCc1cccc(c1N)Br 271570a_100020621405_100010146558 [0,2,0,0,0,0|1,0,0]=3 11446 B12R1.25 CCCCc1cccc(c1N)C 271570a_100020621405_100011834072 [0,2,0,0,0,0|1,0,0]=3 11447 B12R1.25 CCCCc1cccc(c1N)Cl 271570a_100020621405_100010190421 [0,2,0,0,0,0|1,0,0]=3 11448 B12R1.25 CCCCc1cccc(c1N)F 271570a_100020621405_100000042321 [0,2,0,0,0,0|1,0,0]=3 11449 B12R1.25 CCCCc1cccc(c1N)N 271570a_100020621405_100015191791 [0,2,0,0,0,0|1,0,0]=3 11450 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [0,2,0,0,0,0|1,0,0]=3 11451 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [0,2,0,0,0,0|1,0,0]=3 11452 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [0,2,0,0,0,0|1,0,0]=3 11453 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [0,2,0,0,0,0|1,0,0]=3 11454 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [0,2,0,0,0,0|1,0,0]=3 11455 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [0,2,0,0,0,0|1,0,0]=3 11456 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,2,0,0,0,0|1,0,0]=3 11457 B12R1.25 CCCCc1cccn(c1=O)C 271570a_100020621405_100000687173 [0,2,0,0,0,0|2,0,0]=4 11458 B12R1.25 CCCCc1ccnc(c1C)C 271570a_100020621405_100009846815 [0,2,0,0,0,0|2,0,0]=4 11459 B12R1.25 CCCCc1ccnc(c1C)Cl 271570a_100020621405_100000047055 [0,2,0,0,0,0|2,0,0]=4 11460 B12R1.25 CCCCc1ccnc(c1C)F 271570a_100020621405_100010006593 [0,2,0,0,0,0|2,0,0]=4 11461 B12R1.25 CCCCc1ccnc(c1C)N 271570a_100020621405_100009865460 [0,2,0,0,0,0|2,0,0]=4 11462 B12R1.25 CCCCc1ccnc(c1C)O 271570a_100020621405_100009858498 [0,2,0,0,0,0|2,0,0]=4 11463 B12R1.25 CCCCc1ccnc(c1Cl)C 271570a_100020621405_100000698670 [0,2,0,0,0,0|2,0,0]=4 11464 B12R1.25 CCCCc1ccnc(c1Cl)Cl 271570a_100020621405_100010246212 [0,2,0,0,0,0|2,0,0]=4 11465 B12R1.25 CCCCc1ccnc(c1Cl)F 271570a_100020621405_100010067886 [0,2,0,0,0,0|2,0,0]=4 11466 B12R1.25 CCCCc1ccnc(c1Cl)N 271570a_100020621405_100010735111 [0,2,0,0,0,0|2,0,0]=4 11467 B12R1.25 CCCCc1ccnc(c1F)Br 271570a_100020621405_200015269031 [0,2,0,0,0,0|2,0,0]=4 11468 B12R1.25 CCCCc1ccnc(c1F)C 271570a_100020621405_100009849794 [0,2,0,0,0,0|2,0,0]=4 11469 B12R1.25 CCCCc1ccnc(c1F)Cl 271570a_100020621405_100010150473 [0,2,0,0,0,0|2,0,0]=4 11470 B12R1.25 CCCCc1ccnc(c1F)F 271570a_100020621405_100010214882 [0,2,0,0,0,0|2,0,0]=4 11471 B12R1.25 CCCCc1ccnc(c1F)N 271570a_100020621405_100010077785 [0,2,0,0,0,0|2,0,0]=4 11472 B12R1.25 CCCCc1ccnc(c1N)C 271570a_100020621405_100009885578 [0,2,0,0,0,0|2,0,0]=4 11473 B12R1.25 CCCCc1ccnc(c1N)N 271570a_100020621405_100000124095 [0,2,0,0,0,0|2,0,0]=4 11474 B12R1.25 CCCCc1cncc(c1C)Br 271570a_100020621405_100010109657 [0,2,0,0,0,0|2,0,0]=4 11475 B12R1.25 CCCCc1cncc(c1C)C 271570a_100020621405_100009864703 [0,2,0,0,0,0|2,0,0]=4 11476 B12R1.25 CCCCc1cncc(c1C)F 271570a_100020621405_100009881546 [0,2,0,0,0,0|2,0,0]=4 11477 B12R1.25 CCCCc1cncc(c1C)N 271570a_100020621405_100011998293 [0,2,0,0,0,0|2,0,0]=4 11478 B12R1.25 CCCCc1cncc(c1N)Br 271570a_100020621405_100011290786 [0,2,0,0,0,0|2,0,0]=4 11479 B12R1.25 CCCCc1cncc(c1N)C 271570a_100020621405_100009818025 [0,2,0,0,0,0|2,0,0]=4 11480 B12R1.25 CCCCc1cncc(c1N)Cl 271570a_100020621405_100000684942 [0,2,0,0,0,0|2,0,0]=4 11481 B12R1.25 CCCCc1cncc(c1N)F 271570a_100020621405_100009880649 [0,2,0,0,0,0|2,0,0]=4 11482 B12R1.25 CCCCc1cncc(c1N)N 271570a_100020621405_100000694774 [0,2,0,0,0,0|2,0,0]=4 11483 B12R1.25 CCCCc1nccc(c1C)C 271570a_100020621405_100009847204 [0,2,0,0,0,0|2,0,0]=4 11484 B12R1.25 CCCCc1nccc(c1C)F 271570a_100020621405_100009846374 [0,2,0,0,0,0|2,0,0]=4 11485 B12R1.25 CCCCc1nccc(c1C)N 271570a_100020621405_100009980296 [0,2,0,0,0,0|2,0,0]=4 11486 B12R1.25 CCCCc1nccc(c1F)C 271570a_100020621405_100009817629 [0,2,0,0,0,0|2,0,0]=4 11487 B12R1.25 CCCCc1nccc(c1F)N 271570a_100020621405_100015205195 [0,2,0,0,0,0|2,0,0]=4 11488 B12R1.25 CCCCc1nccc(c1F)O 271570a_100020621405_100009876375 [0,2,0,0,0,0|2,0,0]=4 11489 B12R1.25 CCCCc1nccc(c1N)C 271570a_100020621405_100000763560 [0,2,0,0,0,0|2,0,0]=4 11490 B12R1.25 CCCCc1nccc(c1N)N 271570a_100020621405_100000085203 [0,2,0,0,0,0|2,0,0]=4 11491 B12R1.25 CCCCc1nccc(c1N)O 271570a_100020621405_100000128729 [0,2,0,0,0,0|2,0,0]=4 11492 B12R1.25 CCCCc1nccc(c1O)C 271570a_100020621405_100000696282 [0,2,0,0,0,0|2,0,0]=4 11493 B12R1.25 CCCCc1nccc(c1O)F 271570a_100020621405_100009867227 [0,2,0,0,0,0|2,0,0]=4 11494 B12R1.25 CCCNc1cccc(c1Br)C 34a_100000684715_100000210303 [0,2,0,0,0,0|2,0,0]=4 11495 B12R1.25 CCCNc1cccc(c1Br)Cl 34a_100000687072_100000210303 [0,2,0,0,0,0|2,0,0]=4 11496 B12R1.25 CCCNc1cccc(c1Br)F 34a_100011934729_100000210303 [0,2,0,0,0,0|2,0,0]=4 11497 B12R1.25 CCCNc1cccc(c1Br)O 34a_100012183704_100000210303 [0,2,0,0,0,0|2,0,0]=4 11498 B12R1.25 CCCNc1cccc(c1Br)O 7a_100012183704_100000210303 [0,2,0,0,0,0|2,0,0]=4 11499 B12R1.25 CCCNc1cccc(c1C)Br 34a_100000750434_100000210303 [0,2,0,0,0,0|2,0,0]=4 11500 B12R1.25 CCCNc1cccc(c1C)C 2230a_100000210026_100000210303 [0,2,0,0,0,0|2,0,0]=4 11501 B12R1.25 CCCNc1cccc(c1C)C 34a_100000210026_100000210303 [0,2,0,0,0,0|2,0,0]=4 11502 B12R1.25 CCCNc1cccc(c1C)C 7a_100000210026_100000210303 [0,2,0,0,0,0|2,0,0]=4 11503 B12R1.25 CCCNc1cccc(c1C)Cl 2230a_100000210441_100000210303 [0,2,0,0,0,0|2,0,0]=4 11504 B12R1.25 CCCNc1cccc(c1C)Cl 34a_100000210441_100000210303 [0,2,0,0,0,0|2,0,0]=4 11505 B12R1.25 CCCNc1cccc(c1C)Cl 7a_100000210441_100000210303 [0,2,0,0,0,0|2,0,0]=4 11506 B12R1.25 CCCNc1cccc(c1C)F 34a_100000745574_100000210303 [0,2,0,0,0,0|2,0,0]=4 11507 B12R1.25 CCCNc1cccc(c1C)F 7a_100000745574_100000210303 [0,2,0,0,0,0|2,0,0]=4 11508 B12R1.25 CCCNc1cccc(c1C)I 34a_100000761887_100000210303 [0,2,0,0,0,0|2,0,0]=4 11509 B12R1.25 CCCNc1cccc(c1C)O 34a_100011216573_100000210303 [0,2,0,0,0,0|2,0,0]=4 11510 B12R1.25 CCCNc1cccc(c1C)O 7a_100011216573_100000210303 [0,2,0,0,0,0|2,0,0]=4 11511 B12R1.25 CCCNc1cccc(c1Cl)Br 34a_100000687075_100000210303 [0,2,0,0,0,0|2,0,0]=4 11512 B12R1.25 CCCNc1cccc(c1Cl)C 34a_100000765562_100000210303 [0,2,0,0,0,0|2,0,0]=4 11513 B12R1.25 CCCNc1cccc(c1Cl)C 7a_100000765562_100000210303 [0,2,0,0,0,0|2,0,0]=4 11514 B12R1.25 CCCNc1cccc(c1Cl)Cl 34a_100000185733_100000210303 [0,2,0,0,0,0|2,0,0]=4 11515 B12R1.25 CCCNc1cccc(c1Cl)F 34a_100000692321_100000210303 [0,2,0,0,0,0|2,0,0]=4 11516 B12R1.25 CCCNc1cccc(c1Cl)O 34a_100012002038_100000210303 [0,2,0,0,0,0|2,0,0]=4 11517 B12R1.25 CCCNc1cccc(c1Cl)O 7a_100012002038_100000210303 [0,2,0,0,0,0|2,0,0]=4 11518 B12R1.25 CCCNc1cccc(c1F)Br 2230a_100011935091_100000210303 [0,2,0,0,0,0|2,0,0]=4 11519 B12R1.25 CCCNc1cccc(c1F)Br 34a_100011935091_100000210303 [0,2,0,0,0,0|2,0,0]=4 11520 B12R1.25 CCCNc1cccc(c1F)C 2230a_100000697159_100000210303 [0,2,0,0,0,0|2,0,0]=4 11521 B12R1.25 CCCNc1cccc(c1F)C 34a_100000697159_100000210303 [0,2,0,0,0,0|2,0,0]=4 11522 B12R1.25 CCCNc1cccc(c1F)C 7a_100000697159_100000210303 [0,2,0,0,0,0|2,0,0]=4 11523 B12R1.25 CCCNc1cccc(c1F)Cl 2230a_100000199060_100000210303 [0,2,0,0,0,0|2,0,0]=4 11524 B12R1.25 CCCNc1cccc(c1F)Cl 34a_100000199060_100000210303 [0,2,0,0,0,0|2,0,0]=4 11525 B12R1.25 CCCNc1cccc(c1F)F 34a_100000743855_100000210303 [0,2,0,0,0,0|2,0,0]=4 11526 B12R1.25 CCCNc1cccc(c1I)Br 34a_100020590159_100000210303 [0,2,0,0,0,0|2,0,0]=4 11527 B12R1.25 CCCNc1cccc(c1I)C 34a_100000761888_100000210303 [0,2,0,0,0,0|2,0,0]=4 11528 B12R1.25 CCCNc1cccc(c1I)Cl 34a_100000049713_100000210303 [0,2,0,0,0,0|2,0,0]=4 11529 B12R1.25 CCCNc1cccc(c1I)F 34a_100000690935_100000210303 [0,2,0,0,0,0|2,0,0]=4 11530 B12R1.25 CCCNc1cccc(c1O)Br 34a_100011934915_100000210303 [0,2,0,0,0,0|2,0,0]=4 11531 B12R1.25 CCCNc1cccc(c1O)C 34a_100000756359_100000210303 [0,2,0,0,0,0|2,0,0]=4 11532 B12R1.25 CCCNc1cccc(c1O)Cl 34a_100000754742_100000210303 [0,2,0,0,0,0|2,0,0]=4 11533 B12R1.25 CCCNc1cccc(c1O)F 34a_100011934987_100000210303 [0,2,0,0,0,0|2,0,0]=4 11534 B12R1.25 CCCOc1cccc(c1Br)Br 34a_100010187966_100000210303 [0,2,0,0,0,0|2,0,0]=4 11535 B12R1.25 CCCOc1cccc(c1Br)Br 7a_100010187966_100000210303 [0,2,0,0,0,0|2,0,0]=4 11536 B12R1.25 CCCOc1cccc(c1Br)C 34a_100000686692_100000210303 [0,2,0,0,0,0|2,0,0]=4 11537 B12R1.25 CCCOc1cccc(c1Br)C 7a_100000686692_100000210303 [0,2,0,0,0,0|2,0,0]=4 11538 B12R1.25 CCCOc1cccc(c1Br)Cl 34a_100012348804_100000210303 [0,2,0,0,0,0|2,0,0]=4 11539 B12R1.25 CCCOc1cccc(c1Br)Cl 7a_100012348804_100000210303 [0,2,0,0,0,0|2,0,0]=4 11540 B12R1.25 CCCOc1cccc(c1Br)F 34a_100009820682_100000210303 [0,2,0,0,0,0|2,0,0]=4 11541 B12R1.25 CCCOc1cccc(c1Br)F 7a_100009820682_100000210303 [0,2,0,0,0,0|2,0,0]=4 11542 B12R1.25 CCCOc1cccc(c1Br)I 34a_100010187914_100000210303 [0,2,0,0,0,0|2,0,0]=4 11543 B12R1.25 CCCOc1cccc(c1Br)I 7a_100010187914_100000210303 [0,2,0,0,0,0|2,0,0]=4 11544 B12R1.25 CCCOc1cccc(c1Br)N 34a_100012183704_100000210303 [0,2,0,0,0,0|2,0,0]=4 11545 B12R1.25 CCCOc1cccc(c1Br)N 7a_100012183704_100000210303 [0,2,0,0,0,0|2,0,0]=4 11546 B12R1.25 CCCOc1cccc(c1C)Br 34a_100012002258_100000210303 [0,2,0,0,0,0|2,0,0]=4 11547 B12R1.25 CCCOc1cccc(c1C)Br 7a_100012002258_100000210303 [0,2,0,0,0,0|2,0,0]=4 11548 B12R1.25 CCCOc1cccc(c1C)C 34a_100000185855_100000210303 [0,2,0,0,0,0|2,0,0]=4 11549 B12R1.25 CCCOc1cccc(c1C)C 7a_100000185855_100000210303 [0,2,0,0,0,0|2,0,0]=4 11550 B12R1.25 CCCOc1cccc(c1C)Cl 34a_100011265684_100000210303 [0,2,0,0,0,0|2,0,0]=4 11551 B12R1.25 CCCOc1cccc(c1C)Cl 7a_100011265684_100000210303 [0,2,0,0,0,0|2,0,0]=4 11552 B12R1.25 CCCOc1cccc(c1C)F 34a_100011217231_100000210303 [0,2,0,0,0,0|2,0,0]=4 11553 B12R1.25 CCCOc1cccc(c1C)F 7a_100011217231_100000210303 [0,2,0,0,0,0|2,0,0]=4 11554 B12R1.25 CCCOc1cccc(c1C)N 34a_100011216573_100000210303 [0,2,0,0,0,0|2,0,0]=4 11555 B12R1.25 CCCOc1cccc(c1C)N 7a_100011216573_100000210303 [0,2,0,0,0,0|2,0,0]=4 11556 B12R1.25 CCCOc1cccc(c1Cl)Br 34a_100010187913_100000210303 [0,2,0,0,0,0|2,0,0]=4 11557 B12R1.25 CCCOc1cccc(c1Cl)Br 7a_100010187913_100000210303 [0,2,0,0,0,0|2,0,0]=4 11558 B12R1.25 CCCOc1cccc(c1Cl)C 34a_100000695629_100000210303 [0,2,0,0,0,0|2,0,0]=4 11559 B12R1.25 CCCOc1cccc(c1Cl)C 7a_100000695629_100000210303 [0,2,0,0,0,0|2,0,0]=4 11560 B12R1.25 CCCOc1cccc(c1Cl)Cl 34a_100000211076_100000210303 [0,2,0,0,0,0|2,0,0]=4 11561 B12R1.25 CCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210303 [0,2,0,0,0,0|2,0,0]=4 11562 B12R1.25 CCCOc1cccc(c1Cl)F 34a_100000087408_100000210303 [0,2,0,0,0,0|2,0,0]=4 11563 B12R1.25 CCCOc1cccc(c1Cl)F 7a_100000087408_100000210303 [0,2,0,0,0,0|2,0,0]=4 11564 B12R1.25 CCCOc1cccc(c1Cl)I 34a_100000049636_100000210303 [0,2,0,0,0,0|2,0,0]=4 11565 B12R1.25 CCCOc1cccc(c1Cl)I 7a_100000049636_100000210303 [0,2,0,0,0,0|2,0,0]=4 11566 B12R1.25 CCCOc1cccc(c1Cl)N 34a_100012002038_100000210303 [0,2,0,0,0,0|2,0,0]=4 11567 B12R1.25 CCCOc1cccc(c1Cl)N 7a_100012002038_100000210303 [0,2,0,0,0,0|2,0,0]=4 11568 B12R1.25 CCCOc1cccc(c1F)Br 34a_100009817021_100000210303 [0,2,0,0,0,0|2,0,0]=4 11569 B12R1.25 CCCOc1cccc(c1F)Br 7a_100009817021_100000210303 [0,2,0,0,0,0|2,0,0]=4 11570 B12R1.25 CCCOc1cccc(c1F)C 34a_100000751311_100000210303 [0,2,0,0,0,0|2,0,0]=4 11571 B12R1.25 CCCOc1cccc(c1F)C 7a_100000751311_100000210303 [0,2,0,0,0,0|2,0,0]=4 11572 B12R1.25 CCCOc1cccc(c1F)Cl 34a_100000687438_100000210303 [0,2,0,0,0,0|2,0,0]=4 11573 B12R1.25 CCCOc1cccc(c1F)Cl 7a_100000687438_100000210303 [0,2,0,0,0,0|2,0,0]=4 11574 B12R1.25 CCCOc1cccc(c1F)F 34a_100000751161_100000210303 [0,2,0,0,0,0|2,0,0]=4 11575 B12R1.25 CCCOc1cccc(c1F)F 7a_100000751161_100000210303 [0,2,0,0,0,0|2,0,0]=4 11576 B12R1.25 CCCOc1cccc(c1I)Br 34a_100010187912_100000210303 [0,2,0,0,0,0|2,0,0]=4 11577 B12R1.25 CCCOc1cccc(c1I)Br 7a_100010187912_100000210303 [0,2,0,0,0,0|2,0,0]=4 11578 B12R1.25 CCCOc1cccc(c1I)C 34a_100010083724_100000210303 [0,2,0,0,0,0|2,0,0]=4 11579 B12R1.25 CCCOc1cccc(c1I)C 7a_100010083724_100000210303 [0,2,0,0,0,0|2,0,0]=4 11580 B12R1.25 CCCOc1cccc(c1I)Cl 34a_100000050174_100000210303 [0,2,0,0,0,0|2,0,0]=4 11581 B12R1.25 CCCOc1cccc(c1I)Cl 7a_100000050174_100000210303 [0,2,0,0,0,0|2,0,0]=4 11582 B12R1.25 CCCOc1cccc(c1I)F 34a_100000690913_100000210303 [0,2,0,0,0,0|2,0,0]=4 11583 B12R1.25 CCCOc1cccc(c1I)F 7a_100000690913_100000210303 [0,2,0,0,0,0|2,0,0]=4 11584 B12R1.25 CCCOc1cccc(c1N)Br 34a_100011934926_100000210303 [0,2,0,0,0,0|2,0,0]=4 11585 B12R1.25 CCCOc1cccc(c1N)Br 7a_100011934926_100000210303 [0,2,0,0,0,0|2,0,0]=4 11586 B12R1.25 CCCOc1cccc(c1N)C 34a_100000743429_100000210303 [0,2,0,0,0,0|2,0,0]=4 11587 B12R1.25 CCCOc1cccc(c1N)C 7a_100000743429_100000210303 [0,2,0,0,0,0|2,0,0]=4 11588 B12R1.25 CCCOc1cccc(c1N)Cl 34a_100012022510_100000210303 [0,2,0,0,0,0|2,0,0]=4 11589 B12R1.25 CCCOc1cccc(c1N)Cl 7a_100012022510_100000210303 [0,2,0,0,0,0|2,0,0]=4 11590 B12R1.25 CCCOc1cccc(c1N)F 34a_100020591140_100000210303 [0,2,0,0,0,0|2,0,0]=4 11591 B12R1.25 CCCOc1cccc(c1N)F 7a_100020591140_100000210303 [0,2,0,0,0,0|2,0,0]=4 11592 B12R1.25 CCCOc1cccc(c1N)I 34a_200000049512_100000210303 [0,2,0,0,0,0|2,0,0]=4 11593 B12R1.25 CCCOc1cccc(c1N)I 7a_200000049512_100000210303 [0,2,0,0,0,0|2,0,0]=4 11594 B12R1.25 CCCOc1cccc(c1N)N 34a_100000033209_100000210303 [0,2,0,0,0,0|2,0,0]=4 11595 B12R1.25 CCCSc1cccc(c1Br)Br 62a_100000210303_100010175083 [0,2,0,0,0,0|2,0,0]=4 11596 B12R1.25 CCCSc1cccc(c1Br)Br 62a_100010175083_100000210303 [0,2,0,0,0,0|2,0,0]=4 11597 B12R1.25 CCCSc1cccc(c1Br)C 62a_100000210303_100012362457 [0,2,0,0,0,0|2,0,0]=4 11598 B12R1.25 CCCSc1cccc(c1Br)C 62a_100012362457_100000210303 [0,2,0,0,0,0|2,0,0]=4 11599 B12R1.25 CCCSc1cccc(c1Br)Cl 62a_100000210303_100014021842 [0,2,0,0,0,0|2,0,0]=4 11600 B12R1.25 CCCSc1cccc(c1Br)Cl 62a_100014021842_100000210303 [0,2,0,0,0,0|2,0,0]=4 11601 B12R1.25 CCCSc1cccc(c1Br)F 62a_100000210303_100010202630 [0,2,0,0,0,0|2,0,0]=4 11602 B12R1.25 CCCSc1cccc(c1Br)F 62a_100010202630_100000210303 [0,2,0,0,0,0|2,0,0]=4 11603 B12R1.25 CCCSc1cccc(c1Br)O 62a_100000210303_100010187914 [0,2,0,0,0,0|2,0,0]=4 11604 B12R1.25 CCCSc1cccc(c1Br)O 62a_100010187914_100000210303 [0,2,0,0,0,0|2,0,0]=4 11605 B12R1.25 CCCSc1cccc(c1C)Br 62a_100000210303_100012353703 [0,2,0,0,0,0|2,0,0]=4 11606 B12R1.25 CCCSc1cccc(c1C)Br 62a_100012353703_100000210303 [0,2,0,0,0,0|2,0,0]=4 11607 B12R1.25 CCCSc1cccc(c1C)C 62a_100000210303_100011214922 [0,2,0,0,0,0|2,0,0]=4 11608 B12R1.25 CCCSc1cccc(c1C)C 62a_100011214922_100000210303 [0,2,0,0,0,0|2,0,0]=4 11609 B12R1.25 CCCSc1cccc(c1C)Cl 62a_100000210303_100000726075 [0,2,0,0,0,0|2,0,0]=4 11610 B12R1.25 CCCSc1cccc(c1C)Cl 62a_100000726075_100000210303 [0,2,0,0,0,0|2,0,0]=4 11611 B12R1.25 CCCSc1cccc(c1C)F 62a_100000210303_100011216893 [0,2,0,0,0,0|2,0,0]=4 11612 B12R1.25 CCCSc1cccc(c1C)F 62a_100011216893_100000210303 [0,2,0,0,0,0|2,0,0]=4 11613 B12R1.25 CCCSc1cccc(c1C)N 62a_100000210303_100000761887 [0,2,0,0,0,0|2,0,0]=4 11614 B12R1.25 CCCSc1cccc(c1C)N 62a_100000761887_100000210303 [0,2,0,0,0,0|2,0,0]=4 11615 B12R1.25 CCCSc1cccc(c1C)O 62a_100000210303_100012002258 [0,2,0,0,0,0|2,0,0]=4 11616 B12R1.25 CCCSc1cccc(c1C)O 62a_100012002258_100000210303 [0,2,0,0,0,0|2,0,0]=4 11617 B12R1.25 CCCSc1cccc(c1Cl)Br 62a_100000210303_100010142854 [0,2,0,0,0,0|2,0,0]=4 11618 B12R1.25 CCCSc1cccc(c1Cl)Br 62a_100010142854_100000210303 [0,2,0,0,0,0|2,0,0]=4 11619 B12R1.25 CCCSc1cccc(c1Cl)C 62a_100000210303_200012352035 [0,2,0,0,0,0|2,0,0]=4 11620 B12R1.25 CCCSc1cccc(c1Cl)C 62a_200012352035_100000210303 [0,2,0,0,0,0|2,0,0]=4 11621 B12R1.25 CCCSc1cccc(c1Cl)Cl 62a_100000210303_100011215384 [0,2,0,0,0,0|2,0,0]=4 11622 B12R1.25 CCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210303 [0,2,0,0,0,0|2,0,0]=4 11623 B12R1.25 CCCSc1cccc(c1Cl)F 62a_100000210303_200010234923 [0,2,0,0,0,0|2,0,0]=4 11624 B12R1.25 CCCSc1cccc(c1Cl)F 62a_200010234923_100000210303 [0,2,0,0,0,0|2,0,0]=4 11625 B12R1.25 CCCSc1cccc(c1Cl)O 62a_100000210303_100000049636 [0,2,0,0,0,0|2,0,0]=4 11626 B12R1.25 CCCSc1cccc(c1F)Br 62a_100000210303_100000702267 [0,2,0,0,0,0|2,0,0]=4 11627 B12R1.25 CCCSc1cccc(c1F)Br 62a_100000702267_100000210303 [0,2,0,0,0,0|2,0,0]=4 11628 B12R1.25 CCCSc1cccc(c1F)C 62a_100000210303_100000717567 [0,2,0,0,0,0|2,0,0]=4 11629 B12R1.25 CCCSc1cccc(c1F)C 62a_100000717567_100000210303 [0,2,0,0,0,0|2,0,0]=4 11630 B12R1.25 CCCSc1cccc(c1F)Cl 62a_100000210303_100011217346 [0,2,0,0,0,0|2,0,0]=4 11631 B12R1.25 CCCSc1cccc(c1F)Cl 62a_100011217346_100000210303 [0,2,0,0,0,0|2,0,0]=4 11632 B12R1.25 CCCSc1cccc(c1F)F 62a_100000210303_100000694657 [0,2,0,0,0,0|2,0,0]=4 11633 B12R1.25 CCCSc1cccc(c1F)F 62a_100000694657_100000210303 [0,2,0,0,0,0|2,0,0]=4 11634 B12R1.25 CCCSc1cccc(c1F)N 62a_100000210303_100011935091 [0,2,0,0,0,0|2,0,0]=4 11635 B12R1.25 CCCSc1cccc(c1F)N 62a_100011935091_100000210303 [0,2,0,0,0,0|2,0,0]=4 11636 B12R1.25 CCCSc1cccc(c1F)O 62a_100000210303_100009817021 [0,2,0,0,0,0|2,0,0]=4 11637 B12R1.25 CCCSc1cccc(c1F)O 62a_100009817021_100000210303 [0,2,0,0,0,0|2,0,0]=4 11638 B12R1.25 CCCSc1cccc(c1N)Br 62a_100000210303_100010146558 [0,2,0,0,0,0|2,0,0]=4 11639 B12R1.25 CCCSc1cccc(c1N)Br 62a_100010146558_100000210303 [0,2,0,0,0,0|2,0,0]=4 11640 B12R1.25 CCCSc1cccc(c1N)C 62a_100000210303_100011834072 [0,2,0,0,0,0|2,0,0]=4 11641 B12R1.25 CCCSc1cccc(c1N)C 62a_100011834072_100000210303 [0,2,0,0,0,0|2,0,0]=4 11642 B12R1.25 CCCSc1cccc(c1N)Cl 62a_100000210303_100010190421 [0,2,0,0,0,0|2,0,0]=4 11643 B12R1.25 CCCSc1cccc(c1N)Cl 62a_100010190421_100000210303 [0,2,0,0,0,0|2,0,0]=4 11644 B12R1.25 CCCSc1cccc(c1N)F 62a_100000042321_100000210303 [0,2,0,0,0,0|2,0,0]=4 11645 B12R1.25 CCCSc1cccc(c1N)F 62a_100000210303_100000042321 [0,2,0,0,0,0|2,0,0]=4 11646 B12R1.25 CCCSc1cccc(c1N)N 62a_100015191791_100000210303 [0,2,0,0,0,0|2,0,0]=4 11647 B12R1.25 CCCSc1cccc(c1N)O 62a_100000210303_100011934926 [0,2,0,0,0,0|2,0,0]=4 11648 B12R1.25 CCCSc1cccc(c1O)Br 62a_100000210303_100010084509 [0,2,0,0,0,0|2,0,0]=4 11649 B12R1.25 CCCSc1cccc(c1O)Br 62a_100010084509_100000210303 [0,2,0,0,0,0|2,0,0]=4 11650 B12R1.25 CCCSc1cccc(c1O)C 62a_100000210303_100009817157 [0,2,0,0,0,0|2,0,0]=4 11651 B12R1.25 CCCSc1cccc(c1O)C 62a_100009817157_100000210303 [0,2,0,0,0,0|2,0,0]=4 11652 B12R1.25 CCCSc1cccc(c1O)Cl 62a_100000210303_100010202889 [0,2,0,0,0,0|2,0,0]=4 11653 B12R1.25 CCCSc1cccc(c1O)Cl 62a_100010202889_100000210303 [0,2,0,0,0,0|2,0,0]=4 11654 B12R1.25 CCCSc1cccc(c1O)F 62a_100000210303_100009813666 [0,2,0,0,0,0|2,0,0]=4 11655 B12R1.25 CCCSc1cccc(c1O)F 62a_100009813666_100000210303 [0,2,0,0,0,0|2,0,0]=4 11656 B12R1.25 CCCSc1cccc(c1O)N 62a_100000210303_100010084371 [0,2,0,0,0,0|2,0,0]=4 11657 B12R1.25 CCCSc1cccc(c1O)N 62a_100011934915_100000210303 [0,2,0,0,0,0|2,0,0]=4 11658 B12R1.25 CCCSc1cccc(c1O)O 62a_100000210303_100009815950 [0,2,0,0,0,0|2,0,0]=4 11659 B12R1.25 CCNCc1cccc(c1Br)Br 207a_100015525214_100010240334 [0,2,0,0,0,0|2,0,0]=4 11660 B12R1.25 CCNCc1cccc(c1Br)Br 270004a_100015525214_100010240334 [0,2,0,0,0,0|2,0,0]=4 11661 B12R1.25 CCNCc1cccc(c1Br)C 207a_100015525214_100012186367 [0,2,0,0,0,0|2,0,0]=4 11662 B12R1.25 CCNCc1cccc(c1Br)C 2230a_100015525214_200012349612 [0,2,0,0,0,0|2,0,0]=4 11663 B12R1.25 CCNCc1cccc(c1Br)C 270004a_100015525214_100012186367 [0,2,0,0,0,0|2,0,0]=4 11664 B12R1.25 CCNCc1cccc(c1Br)Cl 207a_100015525214_100010232083 [0,2,0,0,0,0|2,0,0]=4 11665 B12R1.25 CCNCc1cccc(c1Br)Cl 2230a_100015525214_100010145525 [0,2,0,0,0,0|2,0,0]=4 11666 B12R1.25 CCNCc1cccc(c1Br)Cl 270004a_100015525214_100010232083 [0,2,0,0,0,0|2,0,0]=4 11667 B12R1.25 CCNCc1cccc(c1Br)F 207a_100015525214_100011934749 [0,2,0,0,0,0|2,0,0]=4 11668 B12R1.25 CCNCc1cccc(c1Br)F 2230a_100015525214_100012351116 [0,2,0,0,0,0|2,0,0]=4 11669 B12R1.25 CCNCc1cccc(c1Br)F 2230a_100020638964_100000210202 [0,2,0,0,0,0|2,0,0]=4 11670 B12R1.25 CCNCc1cccc(c1Br)F 270004a_100015525214_100011934749 [0,2,0,0,0,0|2,0,0]=4 11671 B12R1.25 CCNCc1cccc(c1Br)F 34a_100020638964_100000210202 [0,2,0,0,0,0|2,0,0]=4 11672 B12R1.25 CCNCc1cccc(c1Br)I 2230a_100015525214_100010254545 [0,2,0,0,0,0|2,0,0]=4 11673 B12R1.25 CCNCc1cccc(c1C)Br 207a_100015525214_100012179384 [0,2,0,0,0,0|2,0,0]=4 11674 B12R1.25 CCNCc1cccc(c1C)Br 2230a_100015525214_100000694682 [0,2,0,0,0,0|2,0,0]=4 11675 B12R1.25 CCNCc1cccc(c1C)Br 270004a_100015525214_100012179384 [0,2,0,0,0,0|2,0,0]=4 11676 B12R1.25 CCNCc1cccc(c1C)Br 34a_100000724210_100000210202 [0,2,0,0,0,0|2,0,0]=4 11677 B12R1.25 CCNCc1cccc(c1C)C 207a_100015525214_100000229941 [0,2,0,0,0,0|2,0,0]=4 11678 B12R1.25 CCNCc1cccc(c1C)C 2230a_100011211637_100000210202 [0,2,0,0,0,0|2,0,0]=4 11679 B12R1.25 CCNCc1cccc(c1C)C 2230a_100015525214_100011515928 [0,2,0,0,0,0|2,0,0]=4 11680 B12R1.25 CCNCc1cccc(c1C)C 270004a_100015525214_100000229941 [0,2,0,0,0,0|2,0,0]=4 11681 B12R1.25 CCNCc1cccc(c1C)C 34a_100011211637_100000210202 [0,2,0,0,0,0|2,0,0]=4 11682 B12R1.25 CCNCc1cccc(c1C)Cl 207a_100015525214_100012002129 [0,2,0,0,0,0|2,0,0]=4 11683 B12R1.25 CCNCc1cccc(c1C)Cl 2230a_100015525214_100012186920 [0,2,0,0,0,0|2,0,0]=4 11684 B12R1.25 CCNCc1cccc(c1C)Cl 2230a_100020639605_100000210202 [0,2,0,0,0,0|2,0,0]=4 11685 B12R1.25 CCNCc1cccc(c1C)Cl 270004a_100015525214_100012002129 [0,2,0,0,0,0|2,0,0]=4 11686 B12R1.25 CCNCc1cccc(c1C)Cl 34a_100020639605_100000210202 [0,2,0,0,0,0|2,0,0]=4 11687 B12R1.25 CCNCc1cccc(c1C)F 207a_100015525214_100000037668 [0,2,0,0,0,0|2,0,0]=4 11688 B12R1.25 CCNCc1cccc(c1C)F 2230a_100015525214_100009813626 [0,2,0,0,0,0|2,0,0]=4 11689 B12R1.25 CCNCc1cccc(c1C)F 2230a_100132306986_100000210202 [0,2,0,0,0,0|2,0,0]=4 11690 B12R1.25 CCNCc1cccc(c1C)F 270004a_100015525214_100000037668 [0,2,0,0,0,0|2,0,0]=4 11691 B12R1.25 CCNCc1cccc(c1C)F 34a_100132306986_100000210202 [0,2,0,0,0,0|2,0,0]=4 11692 B12R1.25 CCNCc1cccc(c1C)I 2230a_100015525214_100010150147 [0,2,0,0,0,0|2,0,0]=4 11693 B12R1.25 CCNCc1cccc(c1C)O 270004a_100015525214_100009868165 [0,2,0,0,0,0|2,0,0]=4 11694 B12R1.25 CCNCc1cccc(c1Cl)Br 207a_100015525214_100012362481 [0,2,0,0,0,0|2,0,0]=4 11695 B12R1.25 CCNCc1cccc(c1Cl)Br 2230a_100015525214_100012349491 [0,2,0,0,0,0|2,0,0]=4 11696 B12R1.25 CCNCc1cccc(c1Cl)Br 270004a_100015525214_100012362481 [0,2,0,0,0,0|2,0,0]=4 11697 B12R1.25 CCNCc1cccc(c1Cl)C 207a_100015525214_100012017286 [0,2,0,0,0,0|2,0,0]=4 11698 B12R1.25 CCNCc1cccc(c1Cl)C 2230a_100025705714_100000210202 [0,2,0,0,0,0|2,0,0]=4 11699 B12R1.25 CCNCc1cccc(c1Cl)C 270004a_100015525214_100012017286 [0,2,0,0,0,0|2,0,0]=4 11700 B12R1.25 CCNCc1cccc(c1Cl)C 34a_100025705714_100000210202 [0,2,0,0,0,0|2,0,0]=4 11701 B12R1.25 CCNCc1cccc(c1Cl)Cl 207a_100015525214_100000210504 [0,2,0,0,0,0|2,0,0]=4 11702 B12R1.25 CCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210202 [0,2,0,0,0,0|2,0,0]=4 11703 B12R1.25 CCNCc1cccc(c1Cl)Cl 2230a_100015525214_100000723366 [0,2,0,0,0,0|2,0,0]=4 11704 B12R1.25 CCNCc1cccc(c1Cl)Cl 270004a_100015525214_100000210504 [0,2,0,0,0,0|2,0,0]=4 11705 B12R1.25 CCNCc1cccc(c1Cl)Cl 34a_100011211633_100000210202 [0,2,0,0,0,0|2,0,0]=4 11706 B12R1.25 CCNCc1cccc(c1Cl)F 207a_100015525214_100011998484 [0,2,0,0,0,0|2,0,0]=4 11707 B12R1.25 CCNCc1cccc(c1Cl)F 2230a_100012001614_100000210202 [0,2,0,0,0,0|2,0,0]=4 11708 B12R1.25 CCNCc1cccc(c1Cl)F 2230a_100015525214_100000696688 [0,2,0,0,0,0|2,0,0]=4 11709 B12R1.25 CCNCc1cccc(c1Cl)F 270004a_100015525214_100011998484 [0,2,0,0,0,0|2,0,0]=4 11710 B12R1.25 CCNCc1cccc(c1Cl)F 34a_100012001614_100000210202 [0,2,0,0,0,0|2,0,0]=4 11711 B12R1.25 CCNCc1cccc(c1Cl)O 270004a_100015525214_100000050521 [0,2,0,0,0,0|2,0,0]=4 11712 B12R1.25 CCNCc1cccc(c1F)Br 207a_100015525214_100011361543 [0,2,0,0,0,0|2,0,0]=4 11713 B12R1.25 CCNCc1cccc(c1F)Br 2230a_100015189953_100000210202 [0,2,0,0,0,0|2,0,0]=4 11714 B12R1.25 CCNCc1cccc(c1F)Br 2230a_100015525214_100012356506 [0,2,0,0,0,0|2,0,0]=4 11715 B12R1.25 CCNCc1cccc(c1F)Br 270004a_100015525214_100011361543 [0,2,0,0,0,0|2,0,0]=4 11716 B12R1.25 CCNCc1cccc(c1F)Br 34a_100015189953_100000210202 [0,2,0,0,0,0|2,0,0]=4 11717 B12R1.25 CCNCc1cccc(c1F)C 207a_100015525214_100011219516 [0,2,0,0,0,0|2,0,0]=4 11718 B12R1.25 CCNCc1cccc(c1F)C 2230a_100012002060_100000210202 [0,2,0,0,0,0|2,0,0]=4 11719 B12R1.25 CCNCc1cccc(c1F)C 2230a_100015525214_100011216058 [0,2,0,0,0,0|2,0,0]=4 11720 B12R1.25 CCNCc1cccc(c1F)C 270004a_100015525214_100011219516 [0,2,0,0,0,0|2,0,0]=4 11721 B12R1.25 CCNCc1cccc(c1F)C 34a_100012002060_100000210202 [0,2,0,0,0,0|2,0,0]=4 11722 B12R1.25 CCNCc1cccc(c1F)Cl 207a_100015525214_100000766533 [0,2,0,0,0,0|2,0,0]=4 11723 B12R1.25 CCNCc1cccc(c1F)Cl 2230a_100000764326_100000210202 [0,2,0,0,0,0|2,0,0]=4 11724 B12R1.25 CCNCc1cccc(c1F)Cl 2230a_100015525214_100000716733 [0,2,0,0,0,0|2,0,0]=4 11725 B12R1.25 CCNCc1cccc(c1F)Cl 270004a_100015525214_100000766533 [0,2,0,0,0,0|2,0,0]=4 11726 B12R1.25 CCNCc1cccc(c1F)Cl 34a_100000764326_100000210202 [0,2,0,0,0,0|2,0,0]=4 11727 B12R1.25 CCNCc1cccc(c1F)F 207a_100015525214_100000753312 [0,2,0,0,0,0|2,0,0]=4 11728 B12R1.25 CCNCc1cccc(c1F)F 2230a_100011199105_100000210202 [0,2,0,0,0,0|2,0,0]=4 11729 B12R1.25 CCNCc1cccc(c1F)F 2230a_100015525214_100000217499 [0,2,0,0,0,0|2,0,0]=4 11730 B12R1.25 CCNCc1cccc(c1F)F 270004a_100015525214_100000753312 [0,2,0,0,0,0|2,0,0]=4 11731 B12R1.25 CCNCc1cccc(c1F)F 34a_100011199105_100000210202 [0,2,0,0,0,0|2,0,0]=4 11732 B12R1.25 CCNCc1cccc(c1F)I 207a_100015525214_100010202174 [0,2,0,0,0,0|2,0,0]=4 11733 B12R1.25 CCNCc1cccc(c1F)I 270004a_100015525214_100010202174 [0,2,0,0,0,0|2,0,0]=4 11734 B12R1.25 CCNCc1cccc(c1F)O 34a_100025773512_100000210202 [0,2,0,0,0,0|2,0,0]=4 11735 B12R1.25 CCNCc1cccc(c1I)F 207a_100015525214_100010186293 [0,2,0,0,0,0|2,0,0]=4 11736 B12R1.25 CCNCc1cccc(c1I)F 2230a_100015525214_100010149603 [0,2,0,0,0,0|2,0,0]=4 11737 B12R1.25 CCNCc1cccc(c1I)F 270004a_100015525214_100010186293 [0,2,0,0,0,0|2,0,0]=4 11738 B12R1.25 CCNCc1cccc(c1O)C 34a_100020639391_100000210202 [0,2,0,0,0,0|2,0,0]=4 11739 B12R1.25 CCOCc1cccc(c1Br)C 34a_100011659289_100000210202 [0,2,0,0,0,0|2,0,0]=4 11740 B12R1.25 CCOCc1cccc(c1Br)C 34a_100121572206_200012349612 [0,2,0,0,0,0|2,0,0]=4 11741 B12R1.25 CCOCc1cccc(c1Br)C 7a_100011659289_100000210202 [0,2,0,0,0,0|2,0,0]=4 11742 B12R1.25 CCOCc1cccc(c1Br)Cl 34a_100010168166_100000210202 [0,2,0,0,0,0|2,0,0]=4 11743 B12R1.25 CCOCc1cccc(c1Br)Cl 34a_100121572206_100010145525 [0,2,0,0,0,0|2,0,0]=4 11744 B12R1.25 CCOCc1cccc(c1Br)Cl 7a_100010168166_100000210202 [0,2,0,0,0,0|2,0,0]=4 11745 B12R1.25 CCOCc1cccc(c1Br)F 34a_100012351117_100000210202 [0,2,0,0,0,0|2,0,0]=4 11746 B12R1.25 CCOCc1cccc(c1Br)F 34a_100121572206_100012351116 [0,2,0,0,0,0|2,0,0]=4 11747 B12R1.25 CCOCc1cccc(c1Br)F 7a_100012351117_100000210202 [0,2,0,0,0,0|2,0,0]=4 11748 B12R1.25 CCOCc1cccc(c1Br)I 34a_100010240205_100000210202 [0,2,0,0,0,0|2,0,0]=4 11749 B12R1.25 CCOCc1cccc(c1Br)I 34a_100121572206_100010254545 [0,2,0,0,0,0|2,0,0]=4 11750 B12R1.25 CCOCc1cccc(c1Br)I 7a_100010240205_100000210202 [0,2,0,0,0,0|2,0,0]=4 11751 B12R1.25 CCOCc1cccc(c1C)Br 34a_100000694458_100000210202 [0,2,0,0,0,0|2,0,0]=4 11752 B12R1.25 CCOCc1cccc(c1C)Br 34a_100121572206_100000694682 [0,2,0,0,0,0|2,0,0]=4 11753 B12R1.25 CCOCc1cccc(c1C)Br 7a_100000694458_100000210202 [0,2,0,0,0,0|2,0,0]=4 11754 B12R1.25 CCOCc1cccc(c1C)C 34a_100011219135_100000210202 [0,2,0,0,0,0|2,0,0]=4 11755 B12R1.25 CCOCc1cccc(c1C)C 34a_100121572206_100011273979 [0,2,0,0,0,0|2,0,0]=4 11756 B12R1.25 CCOCc1cccc(c1C)C 7a_100011219135_100000210202 [0,2,0,0,0,0|2,0,0]=4 11757 B12R1.25 CCOCc1cccc(c1C)Cl 34a_100012000165_100000210202 [0,2,0,0,0,0|2,0,0]=4 11758 B12R1.25 CCOCc1cccc(c1C)Cl 34a_100121572206_100012186920 [0,2,0,0,0,0|2,0,0]=4 11759 B12R1.25 CCOCc1cccc(c1C)Cl 7a_100012000165_100000210202 [0,2,0,0,0,0|2,0,0]=4 11760 B12R1.25 CCOCc1cccc(c1C)F 34a_100000042775_100000210202 [0,2,0,0,0,0|2,0,0]=4 11761 B12R1.25 CCOCc1cccc(c1C)F 34a_100121572206_100009813626 [0,2,0,0,0,0|2,0,0]=4 11762 B12R1.25 CCOCc1cccc(c1C)F 7a_100000042775_100000210202 [0,2,0,0,0,0|2,0,0]=4 11763 B12R1.25 CCOCc1cccc(c1C)I 34a_100010150139_100000210202 [0,2,0,0,0,0|2,0,0]=4 11764 B12R1.25 CCOCc1cccc(c1C)I 34a_100121572206_100010150147 [0,2,0,0,0,0|2,0,0]=4 11765 B12R1.25 CCOCc1cccc(c1C)I 7a_100010150139_100000210202 [0,2,0,0,0,0|2,0,0]=4 11766 B12R1.25 CCOCc1cccc(c1C)N 34a_102495339961_100000210202 [0,2,0,0,0,0|2,0,0]=4 11767 B12R1.25 CCOCc1cccc(c1C)N 7a_102495339961_100000210202 [0,2,0,0,0,0|2,0,0]=4 11768 B12R1.25 CCOCc1cccc(c1Cl)Br 34a_100012351182_100000210202 [0,2,0,0,0,0|2,0,0]=4 11769 B12R1.25 CCOCc1cccc(c1Cl)Br 34a_100121572206_100012349491 [0,2,0,0,0,0|2,0,0]=4 11770 B12R1.25 CCOCc1cccc(c1Cl)Br 7a_100012351182_100000210202 [0,2,0,0,0,0|2,0,0]=4 11771 B12R1.25 CCOCc1cccc(c1Cl)C 34a_100000710031_100000210202 [0,2,0,0,0,0|2,0,0]=4 11772 B12R1.25 CCOCc1cccc(c1Cl)C 7a_100000710031_100000210202 [0,2,0,0,0,0|2,0,0]=4 11773 B12R1.25 CCOCc1cccc(c1Cl)Cl 34a_100000720469_100000210202 [0,2,0,0,0,0|2,0,0]=4 11774 B12R1.25 CCOCc1cccc(c1Cl)Cl 34a_100121572206_100000723366 [0,2,0,0,0,0|2,0,0]=4 11775 B12R1.25 CCOCc1cccc(c1Cl)Cl 7a_100000720469_100000210202 [0,2,0,0,0,0|2,0,0]=4 11776 B12R1.25 CCOCc1cccc(c1Cl)F 34a_100000696319_100000210202 [0,2,0,0,0,0|2,0,0]=4 11777 B12R1.25 CCOCc1cccc(c1Cl)F 34a_100121572206_100000696688 [0,2,0,0,0,0|2,0,0]=4 11778 B12R1.25 CCOCc1cccc(c1Cl)F 7a_100000696319_100000210202 [0,2,0,0,0,0|2,0,0]=4 11779 B12R1.25 CCOCc1cccc(c1F)Br 34a_100011935076_100000210202 [0,2,0,0,0,0|2,0,0]=4 11780 B12R1.25 CCOCc1cccc(c1F)Br 34a_100121572206_100012356506 [0,2,0,0,0,0|2,0,0]=4 11781 B12R1.25 CCOCc1cccc(c1F)Br 7a_100011935076_100000210202 [0,2,0,0,0,0|2,0,0]=4 11782 B12R1.25 CCOCc1cccc(c1F)C 34a_100121572206_100011216058 [0,2,0,0,0,0|2,0,0]=4 11783 B12R1.25 CCOCc1cccc(c1F)C 34a_200011219517_100000210202 [0,2,0,0,0,0|2,0,0]=4 11784 B12R1.25 CCOCc1cccc(c1F)C 7a_200011219517_100000210202 [0,2,0,0,0,0|2,0,0]=4 11785 B12R1.25 CCOCc1cccc(c1F)Cl 34a_100011216988_100000210202 [0,2,0,0,0,0|2,0,0]=4 11786 B12R1.25 CCOCc1cccc(c1F)Cl 34a_100121572206_100000716733 [0,2,0,0,0,0|2,0,0]=4 11787 B12R1.25 CCOCc1cccc(c1F)Cl 7a_100011216988_100000210202 [0,2,0,0,0,0|2,0,0]=4 11788 B12R1.25 CCOCc1cccc(c1F)F 34a_100011218644_100000210202 [0,2,0,0,0,0|2,0,0]=4 11789 B12R1.25 CCOCc1cccc(c1F)F 34a_100121572206_100000217499 [0,2,0,0,0,0|2,0,0]=4 11790 B12R1.25 CCOCc1cccc(c1F)F 7a_100011218644_100000210202 [0,2,0,0,0,0|2,0,0]=4 11791 B12R1.25 CCOCc1cccc(c1F)I 34a_200010235739_100000210202 [0,2,0,0,0,0|2,0,0]=4 11792 B12R1.25 CCOCc1cccc(c1F)I 7a_200010235739_100000210202 [0,2,0,0,0,0|2,0,0]=4 11793 B12R1.25 CCOCc1cccc(c1F)N 34a_100012023829_100000210202 [0,2,0,0,0,0|2,0,0]=4 11794 B12R1.25 CCOCc1cccc(c1I)Br 34a_100010146604_100000210202 [0,2,0,0,0,0|2,0,0]=4 11795 B12R1.25 CCOCc1cccc(c1I)Br 7a_100010146604_100000210202 [0,2,0,0,0,0|2,0,0]=4 11796 B12R1.25 CCOCc1cccc(c1I)C 34a_100012349780_100000210202 [0,2,0,0,0,0|2,0,0]=4 11797 B12R1.25 CCOCc1cccc(c1I)C 7a_100012349780_100000210202 [0,2,0,0,0,0|2,0,0]=4 11798 B12R1.25 CCOCc1cccc(c1I)F 34a_100000692438_100000210202 [0,2,0,0,0,0|2,0,0]=4 11799 B12R1.25 CCOCc1cccc(c1I)F 34a_100121572206_100010149603 [0,2,0,0,0,0|2,0,0]=4 11800 B12R1.25 CCOCc1cccc(c1I)F 7a_100000692438_100000210202 [0,2,0,0,0,0|2,0,0]=4 11801 B12R1.25 CCOCc1cccc(c1N)Br 34a_100012349457_100000210202 [0,2,0,0,0,0|2,0,0]=4 11802 B12R1.25 CCOCc1cccc(c1N)C 34a_100011215590_100000210202 [0,2,0,0,0,0|2,0,0]=4 11803 B12R1.25 CCOCc1cccc(c1N)Cl 34a_100012182729_100000210202 [0,2,0,0,0,0|2,0,0]=4 11804 B12R1.25 CCOCc1cccc(c1N)F 34a_100000692437_100000210202 [0,2,0,0,0,0|2,0,0]=4 11805 B12R1.25 CCSCc1cccc(c1Br)C 62a_100000210202_200012349612 [0,2,0,0,0,0|2,0,0]=4 11806 B12R1.25 CCSCc1cccc(c1Br)C 62a_200012349612_100000210202 [0,2,0,0,0,0|2,0,0]=4 11807 B12R1.25 CCSCc1cccc(c1Br)Cl 62a_100000210202_100010145525 [0,2,0,0,0,0|2,0,0]=4 11808 B12R1.25 CCSCc1cccc(c1Br)Cl 62a_100010145525_100000210202 [0,2,0,0,0,0|2,0,0]=4 11809 B12R1.25 CCSCc1cccc(c1Br)F 62a_100000210202_100012351116 [0,2,0,0,0,0|2,0,0]=4 11810 B12R1.25 CCSCc1cccc(c1Br)F 62a_100012351116_100000210202 [0,2,0,0,0,0|2,0,0]=4 11811 B12R1.25 CCSCc1cccc(c1Br)I 62a_100000210202_100010254545 [0,2,0,0,0,0|2,0,0]=4 11812 B12R1.25 CCSCc1cccc(c1Br)I 62a_100010254545_100000210202 [0,2,0,0,0,0|2,0,0]=4 11813 B12R1.25 CCSCc1cccc(c1C)Br 62a_100000210202_100000694682 [0,2,0,0,0,0|2,0,0]=4 11814 B12R1.25 CCSCc1cccc(c1C)Br 62a_100000694682_100000210202 [0,2,0,0,0,0|2,0,0]=4 11815 B12R1.25 CCSCc1cccc(c1C)C 62a_100000210202_100011515928 [0,2,0,0,0,0|2,0,0]=4 11816 B12R1.25 CCSCc1cccc(c1C)C 62a_100011515928_100000210202 [0,2,0,0,0,0|2,0,0]=4 11817 B12R1.25 CCSCc1cccc(c1C)Cl 62a_100000210202_100012186920 [0,2,0,0,0,0|2,0,0]=4 11818 B12R1.25 CCSCc1cccc(c1C)Cl 62a_100012186920_100000210202 [0,2,0,0,0,0|2,0,0]=4 11819 B12R1.25 CCSCc1cccc(c1C)F 62a_100000210202_100009813626 [0,2,0,0,0,0|2,0,0]=4 11820 B12R1.25 CCSCc1cccc(c1C)F 62a_100009813626_100000210202 [0,2,0,0,0,0|2,0,0]=4 11821 B12R1.25 CCSCc1cccc(c1C)I 62a_100000210202_100010150147 [0,2,0,0,0,0|2,0,0]=4 11822 B12R1.25 CCSCc1cccc(c1C)I 62a_100010150147_100000210202 [0,2,0,0,0,0|2,0,0]=4 11823 B12R1.25 CCSCc1cccc(c1Cl)Br 62a_100000210202_100012349491 [0,2,0,0,0,0|2,0,0]=4 11824 B12R1.25 CCSCc1cccc(c1Cl)Br 62a_100012349491_100000210202 [0,2,0,0,0,0|2,0,0]=4 11825 B12R1.25 CCSCc1cccc(c1Cl)Cl 62a_100000210202_100000723366 [0,2,0,0,0,0|2,0,0]=4 11826 B12R1.25 CCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210202 [0,2,0,0,0,0|2,0,0]=4 11827 B12R1.25 CCSCc1cccc(c1Cl)F 62a_100000210202_100000696688 [0,2,0,0,0,0|2,0,0]=4 11828 B12R1.25 CCSCc1cccc(c1Cl)F 62a_100000696688_100000210202 [0,2,0,0,0,0|2,0,0]=4 11829 B12R1.25 CCSCc1cccc(c1F)Br 62a_100000210202_100012356506 [0,2,0,0,0,0|2,0,0]=4 11830 B12R1.25 CCSCc1cccc(c1F)Br 62a_100012356506_100000210202 [0,2,0,0,0,0|2,0,0]=4 11831 B12R1.25 CCSCc1cccc(c1F)C 62a_100000210202_100011216058 [0,2,0,0,0,0|2,0,0]=4 11832 B12R1.25 CCSCc1cccc(c1F)C 62a_100011216058_100000210202 [0,2,0,0,0,0|2,0,0]=4 11833 B12R1.25 CCSCc1cccc(c1F)Cl 62a_100000210202_100000716733 [0,2,0,0,0,0|2,0,0]=4 11834 B12R1.25 CCSCc1cccc(c1F)Cl 62a_100000716733_100000210202 [0,2,0,0,0,0|2,0,0]=4 11835 B12R1.25 CCSCc1cccc(c1F)F 62a_100000210202_100000217499 [0,2,0,0,0,0|2,0,0]=4 11836 B12R1.25 CCSCc1cccc(c1F)F 62a_100000217499_100000210202 [0,2,0,0,0,0|2,0,0]=4 11837 B12R1.25 CCSCc1cccc(c1I)F 62a_100000210202_100010149603 [0,2,0,0,0,0|2,0,0]=4 11838 B12R1.25 CCSCc1cccc(c1I)F 62a_100010149603_100000210202 [0,2,0,0,0,0|2,0,0]=4 11839 B12R1.25 CNCCc1cccc(c1C)Br 2230a_100161000114_200000210301 [0,2,0,0,0,0|2,0,0]=4 11840 B12R1.25 CNCCc1cccc(c1C)Br 34a_100161000114_200000210301 [0,2,0,0,0,0|2,0,0]=4 11841 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_100000741019_200000210301 [0,2,0,0,0,0|2,0,0]=4 11842 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_106832991635_100000723033 [0,2,0,0,0,0|2,0,0]=4 11843 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100000741019_200000210301 [0,2,0,0,0,0|2,0,0]=4 11844 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100102657272_100000723033 [0,2,0,0,0,0|2,0,0]=4 11845 B12R1.25 CNCCc1cccc(c1Cl)Cl 7a_106832991635_100000723033 [0,2,0,0,0,0|2,0,0]=4 11846 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100011754357_200000210301 [0,2,0,0,0,0|2,0,0]=4 11847 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100138415774_100000723033 [0,2,0,0,0,0|2,0,0]=4 11848 B12R1.25 COCCc1cccc(c1Cl)Cl 7a_100011754357_200000210301 [0,2,0,0,0,0|2,0,0]=4 11849 B12R1.25 COCCc1cccc(c1F)Cl 34a_100011830271_200000210301 [0,2,0,0,0,0|2,0,0]=4 11850 B12R1.25 COCCc1cccc(c1F)Cl 7a_100011830271_200000210301 [0,2,0,0,0,0|2,0,0]=4 11851 B12R1.25 COCCc1cccc(c1F)F 34a_100000698707_200000210301 [0,2,0,0,0,0|2,0,0]=4 11852 B12R1.25 COCCc1cccc(c1F)F 7a_100000698707_200000210301 [0,2,0,0,0,0|2,0,0]=4 11853 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_100000723033_200000210301 [0,2,0,0,0,0|2,0,0]=4 11854 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_200000210301_100000723033 [0,2,0,0,0,0|2,0,0]=4 11855 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 2230a_100161000114_200025704644 [0,2,0,0,0,0|2,0,0]=4 11856 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 34a_100161000114_200025704644 [0,2,0,0,0,0|2,0,0]=4 11857 B12R1.25 Cc1c(cccc1CNCF)Br 34a_100000724210_100015361967 [0,2,0,0,0,0|2,0,0]=4 11858 B12R1.25 Cc1c(cccc1CNCF)Cl 34a_100020639605_100015361967 [0,2,0,0,0,0|2,0,0]=4 11859 B12R1.25 Cc1c(cccc1CNCF)F 34a_100132306986_100015361967 [0,2,0,0,0,0|2,0,0]=4 11860 B12R1.25 Cc1c(cccc1COCF)Br 34a_100000694458_100015361967 [0,2,0,0,0,0|2,0,0]=4 11861 B12R1.25 Cc1c(cccc1COCF)Br 7a_100000694458_100015361967 [0,2,0,0,0,0|2,0,0]=4 11862 B12R1.25 Cc1c(cccc1COCF)Cl 34a_100012000165_100015361967 [0,2,0,0,0,0|2,0,0]=4 11863 B12R1.25 Cc1c(cccc1COCF)Cl 7a_100012000165_100015361967 [0,2,0,0,0,0|2,0,0]=4 11864 B12R1.25 Cc1c(cccc1COCF)F 34a_100000042775_100015361967 [0,2,0,0,0,0|2,0,0]=4 11865 B12R1.25 Cc1c(cccc1COCF)F 7a_100000042775_100015361967 [0,2,0,0,0,0|2,0,0]=4 11866 B12R1.25 Cc1c(cccc1COCF)I 34a_100010150139_100015361967 [0,2,0,0,0,0|2,0,0]=4 11867 B12R1.25 Cc1c(cccc1COCF)I 7a_100010150139_100015361967 [0,2,0,0,0,0|2,0,0]=4 11868 B12R1.25 Cc1c(cccc1COCF)N 34a_102495339961_100015361967 [0,2,0,0,0,0|2,0,0]=4 11869 B12R1.25 Cc1c(cccc1COCF)N 7a_102495339961_100015361967 [0,2,0,0,0,0|2,0,0]=4 11870 B12R1.25 Cc1c(cccc1CSCF)Br 62a_100000694682_100015361967 [0,2,0,0,0,0|2,0,0]=4 11871 B12R1.25 Cc1c(cccc1CSCF)Br 62a_100015361967_100000694682 [0,2,0,0,0,0|2,0,0]=4 11872 B12R1.25 Cc1c(cccc1CSCF)Cl 62a_100012186920_100015361967 [0,2,0,0,0,0|2,0,0]=4 11873 B12R1.25 Cc1c(cccc1CSCF)Cl 62a_100015361967_100012186920 [0,2,0,0,0,0|2,0,0]=4 11874 B12R1.25 Cc1c(cccc1CSCF)F 62a_100009813626_100015361967 [0,2,0,0,0,0|2,0,0]=4 11875 B12R1.25 Cc1c(cccc1CSCF)F 62a_100015361967_100009813626 [0,2,0,0,0,0|2,0,0]=4 11876 B12R1.25 Cc1c(cccc1CSCF)I 62a_100010150147_100015361967 [0,2,0,0,0,0|2,0,0]=4 11877 B12R1.25 Cc1c(cccc1CSCF)I 62a_100015361967_100010150147 [0,2,0,0,0,0|2,0,0]=4 11878 B12R1.25 Cc1c(cccc1NCCF)Br 34a_100000750434_100011217306 [0,2,0,0,0,0|2,0,0]=4 11879 B12R1.25 Cc1c(cccc1NCCF)Cl 2230a_100000210441_100011217306 [0,2,0,0,0,0|2,0,0]=4 11880 B12R1.25 Cc1c(cccc1NCCF)Cl 34a_100000210441_100011217306 [0,2,0,0,0,0|2,0,0]=4 11881 B12R1.25 Cc1c(cccc1NCCF)Cl 7a_100000210441_100011217306 [0,2,0,0,0,0|2,0,0]=4 11882 B12R1.25 Cc1c(cccc1NCCF)F 34a_100000745574_100011217306 [0,2,0,0,0,0|2,0,0]=4 11883 B12R1.25 Cc1c(cccc1NCCF)F 7a_100000745574_100011217306 [0,2,0,0,0,0|2,0,0]=4 11884 B12R1.25 Cc1c(cccc1NCCF)I 34a_100000761887_100011217306 [0,2,0,0,0,0|2,0,0]=4 11885 B12R1.25 Cc1c(cccc1NCCF)O 34a_100011216573_100011217306 [0,2,0,0,0,0|2,0,0]=4 11886 B12R1.25 Cc1c(cccc1NCCF)O 7a_100011216573_100011217306 [0,2,0,0,0,0|2,0,0]=4 11887 B12R1.25 Cc1c(cccc1NCCO)Br 34a_100000750434_100000211926 [0,2,0,0,0,0|1,0,0]=3 11888 B12R1.25 Cc1c(cccc1NCCO)Cl 2230a_100000210441_100000211926 [0,2,0,0,0,0|1,0,0]=3 11889 B12R1.25 Cc1c(cccc1NCCO)Cl 34a_100000210441_100000211926 [0,2,0,0,0,0|1,0,0]=3 11890 B12R1.25 Cc1c(cccc1NCCO)Cl 7a_100000210441_100000211926 [0,2,0,0,0,0|1,0,0]=3 11891 B12R1.25 Cc1c(cccc1NCCO)F 34a_100000745574_100000211926 [0,2,0,0,0,0|1,0,0]=3 11892 B12R1.25 Cc1c(cccc1NCCO)F 7a_100000745574_100000211926 [0,2,0,0,0,0|1,0,0]=3 11893 B12R1.25 Cc1c(cccc1NCCO)I 34a_100000761887_100000211926 [0,2,0,0,0,0|1,0,0]=3 11894 B12R1.25 Cc1c(cccc1NCCO)O 34a_100011216573_100000211926 [0,2,0,0,0,0|1,0,0]=3 11895 B12R1.25 Cc1c(cccc1NCCO)O 7a_100011216573_100000211926 [0,2,0,0,0,0|1,0,0]=3 11896 B12R1.25 Cc1c(cccc1OCCF)Br 34a_100012002258_100011217306 [0,2,0,0,0,0|2,0,0]=4 11897 B12R1.25 Cc1c(cccc1OCCF)Br 7a_100012002258_100011217306 [0,2,0,0,0,0|2,0,0]=4 11898 B12R1.25 Cc1c(cccc1OCCF)Cl 34a_100011265684_100011217306 [0,2,0,0,0,0|2,0,0]=4 11899 B12R1.25 Cc1c(cccc1OCCF)Cl 7a_100011265684_100011217306 [0,2,0,0,0,0|2,0,0]=4 11900 B12R1.25 Cc1c(cccc1OCCF)F 34a_100011217231_100011217306 [0,2,0,0,0,0|2,0,0]=4 11901 B12R1.25 Cc1c(cccc1OCCF)F 7a_100011217231_100011217306 [0,2,0,0,0,0|2,0,0]=4 11902 B12R1.25 Cc1c(cccc1OCCF)N 34a_100011216573_100011217306 [0,2,0,0,0,0|2,0,0]=4 11903 B12R1.25 Cc1c(cccc1OCCF)N 7a_100011216573_100011217306 [0,2,0,0,0,0|2,0,0]=4 11904 B12R1.25 Cc1c(cccc1OCCO)Br 34a_100012002258_100000211926 [0,2,0,0,0,0|1,0,0]=3 11905 B12R1.25 Cc1c(cccc1OCCO)Br 7a_100012002258_100000211926 [0,2,0,0,0,0|1,0,0]=3 11906 B12R1.25 Cc1c(cccc1OCCO)Cl 34a_100011265684_100000211926 [0,2,0,0,0,0|1,0,0]=3 11907 B12R1.25 Cc1c(cccc1OCCO)Cl 7a_100011265684_100000211926 [0,2,0,0,0,0|1,0,0]=3 11908 B12R1.25 Cc1c(cccc1OCCO)F 34a_100011217231_100000211926 [0,2,0,0,0,0|1,0,0]=3 11909 B12R1.25 Cc1c(cccc1OCCO)F 7a_100011217231_100000211926 [0,2,0,0,0,0|1,0,0]=3 11910 B12R1.25 Cc1c(cccc1OCCO)N 34a_100011216573_100000211926 [0,2,0,0,0,0|1,0,0]=3 11911 B12R1.25 Cc1c(cccc1OCCO)N 7a_100011216573_100000211926 [0,2,0,0,0,0|1,0,0]=3 11912 B12R1.25 Cc1c(cccc1SCCF)Br 62a_100011217306_100012353703 [0,2,0,0,0,0|2,0,0]=4 11913 B12R1.25 Cc1c(cccc1SCCF)Br 62a_100012353703_100011217306 [0,2,0,0,0,0|2,0,0]=4 11914 B12R1.25 Cc1c(cccc1SCCF)Cl 62a_100000726075_100011217306 [0,2,0,0,0,0|2,0,0]=4 11915 B12R1.25 Cc1c(cccc1SCCF)Cl 62a_100011217306_100000726075 [0,2,0,0,0,0|2,0,0]=4 11916 B12R1.25 Cc1c(cccc1SCCF)F 62a_100011216893_100011217306 [0,2,0,0,0,0|2,0,0]=4 11917 B12R1.25 Cc1c(cccc1SCCF)F 62a_100011217306_100011216893 [0,2,0,0,0,0|2,0,0]=4 11918 B12R1.25 Cc1c(cccc1SCCF)N 62a_100000761887_100011217306 [0,2,0,0,0,0|2,0,0]=4 11919 B12R1.25 Cc1c(cccc1SCCF)N 62a_100011217306_100000761887 [0,2,0,0,0,0|2,0,0]=4 11920 B12R1.25 Cc1c(cccc1SCCF)O 62a_100011217306_100012002258 [0,2,0,0,0,0|2,0,0]=4 11921 B12R1.25 Cc1c(cccc1SCCF)O 62a_100012002258_100011217306 [0,2,0,0,0,0|2,0,0]=4 11922 B12R1.25 Cc1c(cccc1SCCO)Br 62a_100000211926_100012353703 [0,2,0,0,0,0|1,0,0]=3 11923 B12R1.25 Cc1c(cccc1SCCO)Br 62a_100012353703_100000211926 [0,2,0,0,0,0|1,0,0]=3 11924 B12R1.25 Cc1c(cccc1SCCO)Cl 62a_100000211926_100000726075 [0,2,0,0,0,0|1,0,0]=3 11925 B12R1.25 Cc1c(cccc1SCCO)Cl 62a_100000726075_100000211926 [0,2,0,0,0,0|1,0,0]=3 11926 B12R1.25 Cc1c(cccc1SCCO)F 62a_100000211926_100011216893 [0,2,0,0,0,0|1,0,0]=3 11927 B12R1.25 Cc1c(cccc1SCCO)F 62a_100011216893_100000211926 [0,2,0,0,0,0|1,0,0]=3 11928 B12R1.25 Cc1c(cccc1SCCO)N 62a_100000211926_100000761887 [0,2,0,0,0,0|1,0,0]=3 11929 B12R1.25 Cc1c(cccc1SCCO)N 62a_100000761887_100000211926 [0,2,0,0,0,0|1,0,0]=3 11930 B12R1.25 Cc1c(cccc1SCCO)O 62a_100000211926_100012002258 [0,2,0,0,0,0|1,0,0]=3 11931 B12R1.25 Cc1c(cccc1SCCO)O 62a_100012002258_100000211926 [0,2,0,0,0,0|1,0,0]=3 11932 B12R1.25 Cc1c(ccnc1Cl)SCCO 62a_100000047055_100000211926 [0,2,0,0,0,0|2,0,0]=4 11933 B12R1.25 Cc1c(ccnc1Cl)SCCO 62a_100000211926_100000047055 [0,2,0,0,0,0|2,0,0]=4 11934 B12R1.25 Cc1c(ccnc1F)NCCO 27a_100000210304_100010006593 [0,2,0,0,0,0|2,0,0]=4 11935 B12R1.25 Cc1c(ccnc1F)SCCO 62a_100000211926_100010006593 [0,2,0,0,0,0|2,0,0]=4 11936 B12R1.25 Cc1c(ccnc1F)SCCO 62a_100010006593_100000211926 [0,2,0,0,0,0|2,0,0]=4 11937 B12R1.25 Cc1c(ccnc1N)SCCO 62a_100000211926_100009865460 [0,2,0,0,0,0|2,0,0]=4 11938 B12R1.25 Cc1c(ccnc1N)SCCO 62a_100009865460_100000211926 [0,2,0,0,0,0|2,0,0]=4 11939 B12R1.25 Cc1c(ccnc1NCCO)F 27a_100000210304_100009846374 [0,2,0,0,0,0|2,0,0]=4 11940 B12R1.25 Cc1c(ccnc1O)SCCO 62a_100000211926_100009858498 [0,2,0,0,0,0|2,0,0]=4 11941 B12R1.25 Cc1c(ccnc1O)SCCO 62a_100009858498_100000211926 [0,2,0,0,0,0|2,0,0]=4 11942 B12R1.25 Cc1c(ccnc1OCCO)Br 34a_100009858498_100000211926 [0,2,0,0,0,0|2,0,0]=4 11943 B12R1.25 Cc1c(ccnc1SCCO)F 62a_100000211926_100009846374 [0,2,0,0,0,0|2,0,0]=4 11944 B12R1.25 Cc1c(ccnc1SCCO)F 62a_100009846374_100000211926 [0,2,0,0,0,0|2,0,0]=4 11945 B12R1.25 Cc1c(ccnc1SCCO)N 62a_100000211926_100000690622 [0,2,0,0,0,0|2,0,0]=4 11946 B12R1.25 Cc1c(ccnc1SCCO)N 62a_100000690622_100000211926 [0,2,0,0,0,0|2,0,0]=4 11947 B12R1.25 Cc1c(cncc1SCCO)Br 62a_100000211926_100010109657 [0,2,0,0,0,0|2,0,0]=4 11948 B12R1.25 Cc1c(cncc1SCCO)Br 62a_100010109657_100000211926 [0,2,0,0,0,0|2,0,0]=4 11949 B12R1.25 Cc1c(cncc1SCCO)F 62a_100000211926_100009881546 [0,2,0,0,0,0|2,0,0]=4 11950 B12R1.25 Cc1c(cncc1SCCO)F 62a_100009881546_100000211926 [0,2,0,0,0,0|2,0,0]=4 11951 B12R1.25 Cc1c(cncc1SCCO)N 62a_100000211926_100011998293 [0,2,0,0,0,0|2,0,0]=4 11952 B12R1.25 Cc1c(cncc1SCCO)N 62a_100011998293_100000211926 [0,2,0,0,0,0|2,0,0]=4 11953 B12R1.25 Cc1cccc(c1Br)COCF 34a_100011659289_100015361967 [0,2,0,0,0,0|2,0,0]=4 11954 B12R1.25 Cc1cccc(c1Br)COCF 7a_100011659289_100015361967 [0,2,0,0,0,0|2,0,0]=4 11955 B12R1.25 Cc1cccc(c1Br)CSCF 62a_100015361967_200012349612 [0,2,0,0,0,0|2,0,0]=4 11956 B12R1.25 Cc1cccc(c1Br)CSCF 62a_200012349612_100015361967 [0,2,0,0,0,0|2,0,0]=4 11957 B12R1.25 Cc1cccc(c1Br)NCCF 34a_100000684715_100011217306 [0,2,0,0,0,0|2,0,0]=4 11958 B12R1.25 Cc1cccc(c1Br)NCCO 34a_100000684715_100000211926 [0,2,0,0,0,0|1,0,0]=3 11959 B12R1.25 Cc1cccc(c1Br)OCCF 34a_100000686692_100011217306 [0,2,0,0,0,0|2,0,0]=4 11960 B12R1.25 Cc1cccc(c1Br)OCCF 7a_100000686692_100011217306 [0,2,0,0,0,0|2,0,0]=4 11961 B12R1.25 Cc1cccc(c1Br)OCCO 34a_100000686692_100000211926 [0,2,0,0,0,0|1,0,0]=3 11962 B12R1.25 Cc1cccc(c1Br)OCCO 7a_100000686692_100000211926 [0,2,0,0,0,0|1,0,0]=3 11963 B12R1.25 Cc1cccc(c1Br)SCCF 62a_100011217306_100012362457 [0,2,0,0,0,0|2,0,0]=4 11964 B12R1.25 Cc1cccc(c1Br)SCCF 62a_100012362457_100011217306 [0,2,0,0,0,0|2,0,0]=4 11965 B12R1.25 Cc1cccc(c1Br)SCCO 62a_100000211926_100012362457 [0,2,0,0,0,0|1,0,0]=3 11966 B12R1.25 Cc1cccc(c1Br)SCCO 62a_100012362457_100000211926 [0,2,0,0,0,0|1,0,0]=3 11967 B12R1.25 Cc1cccc(c1C)CNCF 34a_100011211637_100015361967 [0,2,0,0,0,0|2,0,0]=4 11968 B12R1.25 Cc1cccc(c1C)COCF 34a_100011219135_100015361967 [0,2,0,0,0,0|2,0,0]=4 11969 B12R1.25 Cc1cccc(c1C)COCF 7a_100011219135_100015361967 [0,2,0,0,0,0|2,0,0]=4 11970 B12R1.25 Cc1cccc(c1C)CSCF 62a_100011515928_100015361967 [0,2,0,0,0,0|2,0,0]=4 11971 B12R1.25 Cc1cccc(c1C)CSCF 62a_100015361967_100011515928 [0,2,0,0,0,0|2,0,0]=4 11972 B12R1.25 Cc1cccc(c1C)NCCF 2230a_100000210026_100011217306 [0,2,0,0,0,0|2,0,0]=4 11973 B12R1.25 Cc1cccc(c1C)NCCF 34a_100000210026_100011217306 [0,2,0,0,0,0|2,0,0]=4 11974 B12R1.25 Cc1cccc(c1C)NCCF 7a_100000210026_100011217306 [0,2,0,0,0,0|2,0,0]=4 11975 B12R1.25 Cc1cccc(c1C)NCCO 2230a_100000210026_100000211926 [0,2,0,0,0,0|1,0,0]=3 11976 B12R1.25 Cc1cccc(c1C)NCCO 34a_100000210026_100000211926 [0,2,0,0,0,0|1,0,0]=3 11977 B12R1.25 Cc1cccc(c1C)NCCO 7a_100000210026_100000211926 [0,2,0,0,0,0|1,0,0]=3 11978 B12R1.25 Cc1cccc(c1C)OCCF 34a_100000185855_100011217306 [0,2,0,0,0,0|2,0,0]=4 11979 B12R1.25 Cc1cccc(c1C)OCCF 7a_100000185855_100011217306 [0,2,0,0,0,0|2,0,0]=4 11980 B12R1.25 Cc1cccc(c1C)OCCO 34a_100000185855_100000211926 [0,2,0,0,0,0|1,0,0]=3 11981 B12R1.25 Cc1cccc(c1C)OCCO 7a_100000185855_100000211926 [0,2,0,0,0,0|1,0,0]=3 11982 B12R1.25 Cc1cccc(c1C)SCCF 62a_100011214922_100011217306 [0,2,0,0,0,0|2,0,0]=4 11983 B12R1.25 Cc1cccc(c1C)SCCF 62a_100011217306_100011214922 [0,2,0,0,0,0|2,0,0]=4 11984 B12R1.25 Cc1cccc(c1C)SCCO 62a_100000211926_100011214922 [0,2,0,0,0,0|1,0,0]=3 11985 B12R1.25 Cc1cccc(c1C)SCCO 62a_100011214922_100000211926 [0,2,0,0,0,0|1,0,0]=3 11986 B12R1.25 Cc1cccc(c1Cl)CNCF 34a_100025705714_100015361967 [0,2,0,0,0,0|2,0,0]=4 11987 B12R1.25 Cc1cccc(c1Cl)COCF 34a_100000710031_100015361967 [0,2,0,0,0,0|2,0,0]=4 11988 B12R1.25 Cc1cccc(c1Cl)COCF 7a_100000710031_100015361967 [0,2,0,0,0,0|2,0,0]=4 11989 B12R1.25 Cc1cccc(c1Cl)NCCF 34a_100000765562_100011217306 [0,2,0,0,0,0|2,0,0]=4 11990 B12R1.25 Cc1cccc(c1Cl)NCCF 7a_100000765562_100011217306 [0,2,0,0,0,0|2,0,0]=4 11991 B12R1.25 Cc1cccc(c1Cl)NCCO 34a_100000765562_100000211926 [0,2,0,0,0,0|1,0,0]=3 11992 B12R1.25 Cc1cccc(c1Cl)NCCO 7a_100000765562_100000211926 [0,2,0,0,0,0|1,0,0]=3 11993 B12R1.25 Cc1cccc(c1Cl)OCCF 34a_100000695629_100011217306 [0,2,0,0,0,0|2,0,0]=4 11994 B12R1.25 Cc1cccc(c1Cl)OCCF 7a_100000695629_100011217306 [0,2,0,0,0,0|2,0,0]=4 11995 B12R1.25 Cc1cccc(c1Cl)OCCO 34a_100000695629_100000211926 [0,2,0,0,0,0|1,0,0]=3 11996 B12R1.25 Cc1cccc(c1Cl)OCCO 7a_100000695629_100000211926 [0,2,0,0,0,0|1,0,0]=3 11997 B12R1.25 Cc1cccc(c1Cl)SCCF 62a_100011217306_200012352035 [0,2,0,0,0,0|2,0,0]=4 11998 B12R1.25 Cc1cccc(c1Cl)SCCF 62a_200012352035_100011217306 [0,2,0,0,0,0|2,0,0]=4 11999 B12R1.25 Cc1cccc(c1Cl)SCCO 62a_100000211926_200012352035 [0,2,0,0,0,0|1,0,0]=3 12000 B12R1.25 Cc1cccc(c1Cl)SCCO 62a_200012352035_100000211926 [0,2,0,0,0,0|1,0,0]=3 12001 B12R1.25 Cc1cccc(c1F)CNCF 34a_100012002060_100015361967 [0,2,0,0,0,0|2,0,0]=4 12002 B12R1.25 Cc1cccc(c1F)COCF 34a_200011219517_100015361967 [0,2,0,0,0,0|2,0,0]=4 12003 B12R1.25 Cc1cccc(c1F)COCF 7a_200011219517_100015361967 [0,2,0,0,0,0|2,0,0]=4 12004 B12R1.25 Cc1cccc(c1F)CSCF 62a_100011216058_100015361967 [0,2,0,0,0,0|2,0,0]=4 12005 B12R1.25 Cc1cccc(c1F)CSCF 62a_100015361967_100011216058 [0,2,0,0,0,0|2,0,0]=4 12006 B12R1.25 Cc1cccc(c1F)NCCF 2230a_100000697159_100011217306 [0,2,0,0,0,0|2,0,0]=4 12007 B12R1.25 Cc1cccc(c1F)NCCF 34a_100000697159_100011217306 [0,2,0,0,0,0|2,0,0]=4 12008 B12R1.25 Cc1cccc(c1F)NCCF 7a_100000697159_100011217306 [0,2,0,0,0,0|2,0,0]=4 12009 B12R1.25 Cc1cccc(c1F)NCCO 2230a_100000697159_100000211926 [0,2,0,0,0,0|1,0,0]=3 12010 B12R1.25 Cc1cccc(c1F)NCCO 34a_100000697159_100000211926 [0,2,0,0,0,0|1,0,0]=3 12011 B12R1.25 Cc1cccc(c1F)NCCO 7a_100000697159_100000211926 [0,2,0,0,0,0|1,0,0]=3 12012 B12R1.25 Cc1cccc(c1F)OCCF 34a_100000751311_100011217306 [0,2,0,0,0,0|2,0,0]=4 12013 B12R1.25 Cc1cccc(c1F)OCCF 7a_100000751311_100011217306 [0,2,0,0,0,0|2,0,0]=4 12014 B12R1.25 Cc1cccc(c1F)OCCO 34a_100000751311_100000211926 [0,2,0,0,0,0|1,0,0]=3 12015 B12R1.25 Cc1cccc(c1F)OCCO 7a_100000751311_100000211926 [0,2,0,0,0,0|1,0,0]=3 12016 B12R1.25 Cc1cccc(c1F)SCCF 62a_100000717567_100011217306 [0,2,0,0,0,0|2,0,0]=4 12017 B12R1.25 Cc1cccc(c1F)SCCF 62a_100011217306_100000717567 [0,2,0,0,0,0|2,0,0]=4 12018 B12R1.25 Cc1cccc(c1F)SCCO 62a_100000211926_100000717567 [0,2,0,0,0,0|1,0,0]=3 12019 B12R1.25 Cc1cccc(c1F)SCCO 62a_100000717567_100000211926 [0,2,0,0,0,0|1,0,0]=3 12020 B12R1.25 Cc1cccc(c1I)COCF 34a_100012349780_100015361967 [0,2,0,0,0,0|2,0,0]=4 12021 B12R1.25 Cc1cccc(c1I)COCF 7a_100012349780_100015361967 [0,2,0,0,0,0|2,0,0]=4 12022 B12R1.25 Cc1cccc(c1I)NCCF 34a_100000761888_100011217306 [0,2,0,0,0,0|2,0,0]=4 12023 B12R1.25 Cc1cccc(c1I)NCCO 34a_100000761888_100000211926 [0,2,0,0,0,0|1,0,0]=3 12024 B12R1.25 Cc1cccc(c1I)OCCF 34a_100010083724_100011217306 [0,2,0,0,0,0|2,0,0]=4 12025 B12R1.25 Cc1cccc(c1I)OCCF 7a_100010083724_100011217306 [0,2,0,0,0,0|2,0,0]=4 12026 B12R1.25 Cc1cccc(c1I)OCCO 34a_100010083724_100000211926 [0,2,0,0,0,0|1,0,0]=3 12027 B12R1.25 Cc1cccc(c1I)OCCO 7a_100010083724_100000211926 [0,2,0,0,0,0|1,0,0]=3 12028 B12R1.25 Cc1cccc(c1N)COCF 34a_100011215590_100015361967 [0,2,0,0,0,0|2,0,0]=4 12029 B12R1.25 Cc1cccc(c1N)OCCF 34a_100000743429_100011217306 [0,2,0,0,0,0|2,0,0]=4 12030 B12R1.25 Cc1cccc(c1N)OCCF 7a_100000743429_100011217306 [0,2,0,0,0,0|2,0,0]=4 12031 B12R1.25 Cc1cccc(c1N)OCCO 34a_100000743429_100000211926 [0,2,0,0,0,0|1,0,0]=3 12032 B12R1.25 Cc1cccc(c1N)OCCO 7a_100000743429_100000211926 [0,2,0,0,0,0|1,0,0]=3 12033 B12R1.25 Cc1cccc(c1N)SCCF 62a_100011217306_100011834072 [0,2,0,0,0,0|2,0,0]=4 12034 B12R1.25 Cc1cccc(c1N)SCCF 62a_100011834072_100011217306 [0,2,0,0,0,0|2,0,0]=4 12035 B12R1.25 Cc1cccc(c1N)SCCO 62a_100000211926_100011834072 [0,2,0,0,0,0|1,0,0]=3 12036 B12R1.25 Cc1cccc(c1N)SCCO 62a_100011834072_100000211926 [0,2,0,0,0,0|1,0,0]=3 12037 B12R1.25 Cc1cccc(c1O)CNCF 34a_100020639391_100015361967 [0,2,0,0,0,0|2,0,0]=4 12038 B12R1.25 Cc1cccc(c1O)NCCF 34a_100000756359_100011217306 [0,2,0,0,0,0|2,0,0]=4 12039 B12R1.25 Cc1cccc(c1O)NCCO 34a_100000756359_100000211926 [0,2,0,0,0,0|1,0,0]=3 12040 B12R1.25 Cc1cccc(c1O)SCCF 62a_100009817157_100011217306 [0,2,0,0,0,0|2,0,0]=4 12041 B12R1.25 Cc1cccc(c1O)SCCF 62a_100011217306_100009817157 [0,2,0,0,0,0|2,0,0]=4 12042 B12R1.25 Cc1cccc(c1O)SCCO 62a_100000211926_100009817157 [0,2,0,0,0,0|1,0,0]=3 12043 B12R1.25 Cc1cccc(c1O)SCCO 62a_100009817157_100000211926 [0,2,0,0,0,0|1,0,0]=3 12044 B12R1.25 Cc1ccnc(c1Br)OCCO 34a_100012000493_100000211926 [0,2,0,0,0,0|2,0,0]=4 12045 B12R1.25 Cc1ccnc(c1C)SCCO 62a_100000211926_100009847204 [0,2,0,0,0,0|2,0,0]=4 12046 B12R1.25 Cc1ccnc(c1C)SCCO 62a_100009847204_100000211926 [0,2,0,0,0,0|2,0,0]=4 12047 B12R1.25 Cc1ccnc(c1F)SCCO 62a_100000211926_100009817629 [0,2,0,0,0,0|2,0,0]=4 12048 B12R1.25 Cc1ccnc(c1F)SCCO 62a_100009817629_100000211926 [0,2,0,0,0,0|2,0,0]=4 12049 B12R1.25 Cc1ccnc(c1N)SCCO 62a_100000211926_100000763560 [0,2,0,0,0,0|2,0,0]=4 12050 B12R1.25 Cc1ccnc(c1N)SCCO 62a_100000763560_100000211926 [0,2,0,0,0,0|2,0,0]=4 12051 B12R1.25 Cc1ccnc(c1O)SCCO 62a_100000211926_100000696282 [0,2,0,0,0,0|2,0,0]=4 12052 B12R1.25 Cc1cncc(c1C)SCCO 62a_100000211926_100009864703 [0,2,0,0,0,0|2,0,0]=4 12053 B12R1.25 Cc1cncc(c1C)SCCO 62a_100009864703_100000211926 [0,2,0,0,0,0|2,0,0]=4 12054 B12R1.25 Cc1cncc(c1N)SCCO 62a_100000211926_100009818025 [0,2,0,0,0,0|2,0,0]=4 12055 B12R1.25 Cc1cncc(c1N)SCCO 62a_100009818025_100000211926 [0,2,0,0,0,0|2,0,0]=4 12056 B12R1.25 Cc1nccc(c1C)SCCO 62a_100000211926_100009846815 [0,2,0,0,0,0|2,0,0]=4 12057 B12R1.25 Cc1nccc(c1C)SCCO 62a_100009846815_100000211926 [0,2,0,0,0,0|2,0,0]=4 12058 B12R1.25 Cc1nccc(c1Cl)NCCO 27a_100000210304_100000698670 [0,2,0,0,0,0|2,0,0]=4 12059 B12R1.25 Cc1nccc(c1Cl)SCCO 62a_100000211926_100000698670 [0,2,0,0,0,0|2,0,0]=4 12060 B12R1.25 Cc1nccc(c1Cl)SCCO 62a_100000698670_100000211926 [0,2,0,0,0,0|2,0,0]=4 12061 B12R1.25 Cc1nccc(c1F)NCCO 27a_100000210304_100009849794 [0,2,0,0,0,0|2,0,0]=4 12062 B12R1.25 Cc1nccc(c1F)SCCO 62a_100000211926_100009849794 [0,2,0,0,0,0|2,0,0]=4 12063 B12R1.25 Cc1nccc(c1F)SCCO 62a_100009849794_100000211926 [0,2,0,0,0,0|2,0,0]=4 12064 B12R1.25 Cc1nccc(c1N)SCCO 62a_100000211926_100009885578 [0,2,0,0,0,0|2,0,0]=4 12065 B12R1.25 Cc1nccc(c1N)SCCO 62a_100009885578_100000211926 [0,2,0,0,0,0|2,0,0]=4 12066 B12R1.25 Cn1c(cccc1=O)SCCO 62a_100000211926_100000726605 [0,2,0,0,0,0|2,0,0]=4 12067 B12R1.25 Cn1c(cccc1=O)SCCO 62a_100000726605_100000211926 [0,2,0,0,0,0|2,0,0]=4 12068 B12R1.25 Cn1cccc(c1=O)OCCO 34a_100000117616_100000211926 [0,2,0,0,0,0|2,0,0]=4 12069 B12R1.25 Cn1cccc(c1=O)OCCO 7a_100000117616_100000211926 [0,2,0,0,0,0|2,0,0]=4 12070 B12R1.25 Cn1cccc(c1=O)SCCO 62a_100000211926_100000687173 [0,2,0,0,0,0|2,0,0]=4 12071 B12R1.25 Cn1cccc(c1=O)SCCO 62a_100000687173_100000211926 [0,2,0,0,0,0|2,0,0]=4 12072 B12R1.25 FCCNc1cccc(c1Br)Cl 34a_100000687072_100011217306 [0,2,0,0,0,0|2,0,0]=4 12073 B12R1.25 FCCNc1cccc(c1Br)F 34a_100011934729_100011217306 [0,2,0,0,0,0|2,0,0]=4 12074 B12R1.25 FCCNc1cccc(c1Cl)Br 34a_100000687075_100011217306 [0,2,0,0,0,0|2,0,0]=4 12075 B12R1.25 FCCNc1cccc(c1Cl)Cl 34a_100000185733_100011217306 [0,2,0,0,0,0|2,0,0]=4 12076 B12R1.25 FCCNc1cccc(c1Cl)F 34a_100000692321_100011217306 [0,2,0,0,0,0|2,0,0]=4 12077 B12R1.25 FCCNc1cccc(c1F)Br 2230a_100011935091_100011217306 [0,2,0,0,0,0|2,0,0]=4 12078 B12R1.25 FCCNc1cccc(c1F)Br 34a_100011935091_100011217306 [0,2,0,0,0,0|2,0,0]=4 12079 B12R1.25 FCCNc1cccc(c1F)Cl 2230a_100000199060_100011217306 [0,2,0,0,0,0|2,0,0]=4 12080 B12R1.25 FCCNc1cccc(c1F)Cl 34a_100000199060_100011217306 [0,2,0,0,0,0|2,0,0]=4 12081 B12R1.25 FCCNc1cccc(c1F)F 34a_100000743855_100011217306 [0,2,0,0,0,0|2,0,0]=4 12082 B12R1.25 FCCNc1cccc(c1I)Br 34a_100020590159_100011217306 [0,2,0,0,0,0|2,0,0]=4 12083 B12R1.25 FCCNc1cccc(c1I)Cl 34a_100000049713_100011217306 [0,2,0,0,0,0|2,0,0]=4 12084 B12R1.25 FCCNc1cccc(c1I)F 34a_100000690935_100011217306 [0,2,0,0,0,0|2,0,0]=4 12085 B12R1.25 FCCOc1cccc(c1Br)Br 34a_100010187966_100011217306 [0,2,0,0,0,0|2,0,0]=4 12086 B12R1.25 FCCOc1cccc(c1Br)Br 7a_100010187966_100011217306 [0,2,0,0,0,0|2,0,0]=4 12087 B12R1.25 FCCOc1cccc(c1Br)Cl 34a_100012348804_100011217306 [0,2,0,0,0,0|2,0,0]=4 12088 B12R1.25 FCCOc1cccc(c1Br)Cl 7a_100012348804_100011217306 [0,2,0,0,0,0|2,0,0]=4 12089 B12R1.25 FCCOc1cccc(c1Br)F 34a_100009820682_100011217306 [0,2,0,0,0,0|2,0,0]=4 12090 B12R1.25 FCCOc1cccc(c1Br)F 7a_100009820682_100011217306 [0,2,0,0,0,0|2,0,0]=4 12091 B12R1.25 FCCOc1cccc(c1Br)I 34a_100010187914_100011217306 [0,2,0,0,0,0|2,0,0]=4 12092 B12R1.25 FCCOc1cccc(c1Br)I 7a_100010187914_100011217306 [0,2,0,0,0,0|2,0,0]=4 12093 B12R1.25 FCCOc1cccc(c1Cl)Br 34a_100010187913_100011217306 [0,2,0,0,0,0|2,0,0]=4 12094 B12R1.25 FCCOc1cccc(c1Cl)Br 7a_100010187913_100011217306 [0,2,0,0,0,0|2,0,0]=4 12095 B12R1.25 FCCOc1cccc(c1Cl)Cl 34a_100000211076_100011217306 [0,2,0,0,0,0|2,0,0]=4 12096 B12R1.25 FCCOc1cccc(c1Cl)Cl 7a_100000211076_100011217306 [0,2,0,0,0,0|2,0,0]=4 12097 B12R1.25 FCCOc1cccc(c1Cl)F 34a_100000087408_100011217306 [0,2,0,0,0,0|2,0,0]=4 12098 B12R1.25 FCCOc1cccc(c1Cl)F 7a_100000087408_100011217306 [0,2,0,0,0,0|2,0,0]=4 12099 B12R1.25 FCCOc1cccc(c1Cl)I 34a_100000049636_100011217306 [0,2,0,0,0,0|2,0,0]=4 12100 B12R1.25 FCCOc1cccc(c1Cl)I 7a_100000049636_100011217306 [0,2,0,0,0,0|2,0,0]=4 12101 B12R1.25 FCCOc1cccc(c1F)Br 34a_100009817021_100011217306 [0,2,0,0,0,0|2,0,0]=4 12102 B12R1.25 FCCOc1cccc(c1F)Br 7a_100009817021_100011217306 [0,2,0,0,0,0|2,0,0]=4 12103 B12R1.25 FCCOc1cccc(c1F)Cl 34a_100000687438_100011217306 [0,2,0,0,0,0|2,0,0]=4 12104 B12R1.25 FCCOc1cccc(c1F)Cl 7a_100000687438_100011217306 [0,2,0,0,0,0|2,0,0]=4 12105 B12R1.25 FCCOc1cccc(c1F)F 34a_100000751161_100011217306 [0,2,0,0,0,0|2,0,0]=4 12106 B12R1.25 FCCOc1cccc(c1F)F 7a_100000751161_100011217306 [0,2,0,0,0,0|2,0,0]=4 12107 B12R1.25 FCCOc1cccc(c1I)Br 34a_100010187912_100011217306 [0,2,0,0,0,0|2,0,0]=4 12108 B12R1.25 FCCOc1cccc(c1I)Br 7a_100010187912_100011217306 [0,2,0,0,0,0|2,0,0]=4 12109 B12R1.25 FCCOc1cccc(c1I)Cl 34a_100000050174_100011217306 [0,2,0,0,0,0|2,0,0]=4 12110 B12R1.25 FCCOc1cccc(c1I)Cl 7a_100000050174_100011217306 [0,2,0,0,0,0|2,0,0]=4 12111 B12R1.25 FCCOc1cccc(c1I)F 34a_100000690913_100011217306 [0,2,0,0,0,0|2,0,0]=4 12112 B12R1.25 FCCOc1cccc(c1I)F 7a_100000690913_100011217306 [0,2,0,0,0,0|2,0,0]=4 12113 B12R1.25 FCCSc1cccc(c1Br)Br 62a_100010175083_100011217306 [0,2,0,0,0,0|2,0,0]=4 12114 B12R1.25 FCCSc1cccc(c1Br)Br 62a_100011217306_100010175083 [0,2,0,0,0,0|2,0,0]=4 12115 B12R1.25 FCCSc1cccc(c1Br)Cl 62a_100011217306_100014021842 [0,2,0,0,0,0|2,0,0]=4 12116 B12R1.25 FCCSc1cccc(c1Br)Cl 62a_100014021842_100011217306 [0,2,0,0,0,0|2,0,0]=4 12117 B12R1.25 FCCSc1cccc(c1Br)F 62a_100010202630_100011217306 [0,2,0,0,0,0|2,0,0]=4 12118 B12R1.25 FCCSc1cccc(c1Br)F 62a_100011217306_100010202630 [0,2,0,0,0,0|2,0,0]=4 12119 B12R1.25 FCCSc1cccc(c1Cl)Br 62a_100010142854_100011217306 [0,2,0,0,0,0|2,0,0]=4 12120 B12R1.25 FCCSc1cccc(c1Cl)Br 62a_100011217306_100010142854 [0,2,0,0,0,0|2,0,0]=4 12121 B12R1.25 FCCSc1cccc(c1Cl)Cl 62a_100011215384_100011217306 [0,2,0,0,0,0|2,0,0]=4 12122 B12R1.25 FCCSc1cccc(c1Cl)Cl 62a_100011217306_100011215384 [0,2,0,0,0,0|2,0,0]=4 12123 B12R1.25 FCCSc1cccc(c1Cl)F 62a_100011217306_200010234923 [0,2,0,0,0,0|2,0,0]=4 12124 B12R1.25 FCCSc1cccc(c1Cl)F 62a_200010234923_100011217306 [0,2,0,0,0,0|2,0,0]=4 12125 B12R1.25 FCCSc1cccc(c1F)Br 62a_100000702267_100011217306 [0,2,0,0,0,0|2,0,0]=4 12126 B12R1.25 FCCSc1cccc(c1F)Br 62a_100011217306_100000702267 [0,2,0,0,0,0|2,0,0]=4 12127 B12R1.25 FCCSc1cccc(c1F)Cl 62a_100011217306_100011217346 [0,2,0,0,0,0|2,0,0]=4 12128 B12R1.25 FCCSc1cccc(c1F)Cl 62a_100011217346_100011217306 [0,2,0,0,0,0|2,0,0]=4 12129 B12R1.25 FCCSc1cccc(c1F)F 62a_100000694657_100011217306 [0,2,0,0,0,0|2,0,0]=4 12130 B12R1.25 FCCSc1cccc(c1F)F 62a_100011217306_100000694657 [0,2,0,0,0,0|2,0,0]=4 12131 B12R1.25 FCNCc1cccc(c1Br)F 34a_100020638964_100015361967 [0,2,0,0,0,0|2,0,0]=4 12132 B12R1.25 FCNCc1cccc(c1Cl)Cl 34a_100011211633_100015361967 [0,2,0,0,0,0|2,0,0]=4 12133 B12R1.25 FCNCc1cccc(c1Cl)F 34a_100012001614_100015361967 [0,2,0,0,0,0|2,0,0]=4 12134 B12R1.25 FCNCc1cccc(c1F)Br 34a_100015189953_100015361967 [0,2,0,0,0,0|2,0,0]=4 12135 B12R1.25 FCNCc1cccc(c1F)Cl 34a_100000764326_100015361967 [0,2,0,0,0,0|2,0,0]=4 12136 B12R1.25 FCNCc1cccc(c1F)F 34a_100011199105_100015361967 [0,2,0,0,0,0|2,0,0]=4 12137 B12R1.25 FCOCc1cccc(c1Br)Cl 34a_100010168166_100015361967 [0,2,0,0,0,0|2,0,0]=4 12138 B12R1.25 FCOCc1cccc(c1Br)Cl 7a_100010168166_100015361967 [0,2,0,0,0,0|2,0,0]=4 12139 B12R1.25 FCOCc1cccc(c1Br)F 34a_100012351117_100015361967 [0,2,0,0,0,0|2,0,0]=4 12140 B12R1.25 FCOCc1cccc(c1Br)F 7a_100012351117_100015361967 [0,2,0,0,0,0|2,0,0]=4 12141 B12R1.25 FCOCc1cccc(c1Br)I 34a_100010240205_100015361967 [0,2,0,0,0,0|2,0,0]=4 12142 B12R1.25 FCOCc1cccc(c1Br)I 7a_100010240205_100015361967 [0,2,0,0,0,0|2,0,0]=4 12143 B12R1.25 FCOCc1cccc(c1Cl)Br 34a_100012351182_100015361967 [0,2,0,0,0,0|2,0,0]=4 12144 B12R1.25 FCOCc1cccc(c1Cl)Br 7a_100012351182_100015361967 [0,2,0,0,0,0|2,0,0]=4 12145 B12R1.25 FCOCc1cccc(c1Cl)Cl 34a_100000720469_100015361967 [0,2,0,0,0,0|2,0,0]=4 12146 B12R1.25 FCOCc1cccc(c1Cl)Cl 7a_100000720469_100015361967 [0,2,0,0,0,0|2,0,0]=4 12147 B12R1.25 FCOCc1cccc(c1Cl)F 34a_100000696319_100015361967 [0,2,0,0,0,0|2,0,0]=4 12148 B12R1.25 FCOCc1cccc(c1Cl)F 7a_100000696319_100015361967 [0,2,0,0,0,0|2,0,0]=4 12149 B12R1.25 FCOCc1cccc(c1F)Br 34a_100011935076_100015361967 [0,2,0,0,0,0|2,0,0]=4 12150 B12R1.25 FCOCc1cccc(c1F)Br 7a_100011935076_100015361967 [0,2,0,0,0,0|2,0,0]=4 12151 B12R1.25 FCOCc1cccc(c1F)Cl 34a_100011216988_100015361967 [0,2,0,0,0,0|2,0,0]=4 12152 B12R1.25 FCOCc1cccc(c1F)Cl 7a_100011216988_100015361967 [0,2,0,0,0,0|2,0,0]=4 12153 B12R1.25 FCOCc1cccc(c1F)F 34a_100011218644_100015361967 [0,2,0,0,0,0|2,0,0]=4 12154 B12R1.25 FCOCc1cccc(c1F)F 7a_100011218644_100015361967 [0,2,0,0,0,0|2,0,0]=4 12155 B12R1.25 FCOCc1cccc(c1F)I 34a_200010235739_100015361967 [0,2,0,0,0,0|2,0,0]=4 12156 B12R1.25 FCOCc1cccc(c1F)I 7a_200010235739_100015361967 [0,2,0,0,0,0|2,0,0]=4 12157 B12R1.25 FCOCc1cccc(c1I)Br 34a_100010146604_100015361967 [0,2,0,0,0,0|2,0,0]=4 12158 B12R1.25 FCOCc1cccc(c1I)Br 7a_100010146604_100015361967 [0,2,0,0,0,0|2,0,0]=4 12159 B12R1.25 FCOCc1cccc(c1I)F 34a_100000692438_100015361967 [0,2,0,0,0,0|2,0,0]=4 12160 B12R1.25 FCOCc1cccc(c1I)F 7a_100000692438_100015361967 [0,2,0,0,0,0|2,0,0]=4 12161 B12R1.25 FCSCc1cccc(c1Br)Cl 62a_100010145525_100015361967 [0,2,0,0,0,0|2,0,0]=4 12162 B12R1.25 FCSCc1cccc(c1Br)Cl 62a_100015361967_100010145525 [0,2,0,0,0,0|2,0,0]=4 12163 B12R1.25 FCSCc1cccc(c1Br)F 62a_100012351116_100015361967 [0,2,0,0,0,0|2,0,0]=4 12164 B12R1.25 FCSCc1cccc(c1Br)F 62a_100015361967_100012351116 [0,2,0,0,0,0|2,0,0]=4 12165 B12R1.25 FCSCc1cccc(c1Br)I 62a_100010254545_100015361967 [0,2,0,0,0,0|2,0,0]=4 12166 B12R1.25 FCSCc1cccc(c1Br)I 62a_100015361967_100010254545 [0,2,0,0,0,0|2,0,0]=4 12167 B12R1.25 FCSCc1cccc(c1Cl)Br 62a_100012349491_100015361967 [0,2,0,0,0,0|2,0,0]=4 12168 B12R1.25 FCSCc1cccc(c1Cl)Br 62a_100015361967_100012349491 [0,2,0,0,0,0|2,0,0]=4 12169 B12R1.25 FCSCc1cccc(c1Cl)Cl 62a_100000720918_100015361967 [0,2,0,0,0,0|2,0,0]=4 12170 B12R1.25 FCSCc1cccc(c1Cl)Cl 62a_100015361967_100000723366 [0,2,0,0,0,0|2,0,0]=4 12171 B12R1.25 FCSCc1cccc(c1Cl)F 62a_100000696688_100015361967 [0,2,0,0,0,0|2,0,0]=4 12172 B12R1.25 FCSCc1cccc(c1Cl)F 62a_100015361967_100000696688 [0,2,0,0,0,0|2,0,0]=4 12173 B12R1.25 FCSCc1cccc(c1F)Br 62a_100012356506_100015361967 [0,2,0,0,0,0|2,0,0]=4 12174 B12R1.25 FCSCc1cccc(c1F)Br 62a_100015361967_100012356506 [0,2,0,0,0,0|2,0,0]=4 12175 B12R1.25 FCSCc1cccc(c1F)Cl 62a_100000716733_100015361967 [0,2,0,0,0,0|2,0,0]=4 12176 B12R1.25 FCSCc1cccc(c1F)Cl 62a_100015361967_100000716733 [0,2,0,0,0,0|2,0,0]=4 12177 B12R1.25 FCSCc1cccc(c1F)F 62a_100000217499_100015361967 [0,2,0,0,0,0|2,0,0]=4 12178 B12R1.25 FCSCc1cccc(c1F)F 62a_100015361967_100000217499 [0,2,0,0,0,0|2,0,0]=4 12179 B12R1.25 FCSCc1cccc(c1I)F 62a_100010149603_100015361967 [0,2,0,0,0,0|2,0,0]=4 12180 B12R1.25 FCSCc1cccc(c1I)F 62a_100015361967_100010149603 [0,2,0,0,0,0|2,0,0]=4 12181 B12R1.25 Nc1c(cccc1COCF)Br 34a_100012349457_100015361967 [0,2,0,0,0,0|2,0,0]=4 12182 B12R1.25 Nc1c(cccc1COCF)Cl 34a_100012182729_100015361967 [0,2,0,0,0,0|2,0,0]=4 12183 B12R1.25 Nc1c(cccc1COCF)F 34a_100000692437_100015361967 [0,2,0,0,0,0|2,0,0]=4 12184 B12R1.25 Nc1c(cccc1OCCF)Br 34a_100011934926_100011217306 [0,2,0,0,0,0|2,0,0]=4 12185 B12R1.25 Nc1c(cccc1OCCF)Br 7a_100011934926_100011217306 [0,2,0,0,0,0|2,0,0]=4 12186 B12R1.25 Nc1c(cccc1OCCF)Cl 34a_100012022510_100011217306 [0,2,0,0,0,0|2,0,0]=4 12187 B12R1.25 Nc1c(cccc1OCCF)Cl 7a_100012022510_100011217306 [0,2,0,0,0,0|2,0,0]=4 12188 B12R1.25 Nc1c(cccc1OCCF)F 34a_100020591140_100011217306 [0,2,0,0,0,0|2,0,0]=4 12189 B12R1.25 Nc1c(cccc1OCCF)F 7a_100020591140_100011217306 [0,2,0,0,0,0|2,0,0]=4 12190 B12R1.25 Nc1c(cccc1OCCF)I 34a_200000049512_100011217306 [0,2,0,0,0,0|2,0,0]=4 12191 B12R1.25 Nc1c(cccc1OCCF)I 7a_200000049512_100011217306 [0,2,0,0,0,0|2,0,0]=4 12192 B12R1.25 Nc1c(cccc1OCCO)Br 34a_100011934926_100000211926 [0,2,0,0,0,0|1,0,0]=3 12193 B12R1.25 Nc1c(cccc1OCCO)Br 7a_100011934926_100000211926 [0,2,0,0,0,0|1,0,0]=3 12194 B12R1.25 Nc1c(cccc1OCCO)Cl 34a_100012022510_100000211926 [0,2,0,0,0,0|1,0,0]=3 12195 B12R1.25 Nc1c(cccc1OCCO)Cl 7a_100012022510_100000211926 [0,2,0,0,0,0|1,0,0]=3 12196 B12R1.25 Nc1c(cccc1OCCO)F 34a_100020591140_100000211926 [0,2,0,0,0,0|1,0,0]=3 12197 B12R1.25 Nc1c(cccc1OCCO)F 7a_100020591140_100000211926 [0,2,0,0,0,0|1,0,0]=3 12198 B12R1.25 Nc1c(cccc1OCCO)I 34a_200000049512_100000211926 [0,2,0,0,0,0|1,0,0]=3 12199 B12R1.25 Nc1c(cccc1OCCO)I 7a_200000049512_100000211926 [0,2,0,0,0,0|1,0,0]=3 12200 B12R1.25 Nc1c(cccc1SCCF)Br 62a_100010146558_100011217306 [0,2,0,0,0,0|2,0,0]=4 12201 B12R1.25 Nc1c(cccc1SCCF)Br 62a_100011217306_100010146558 [0,2,0,0,0,0|2,0,0]=4 12202 B12R1.25 Nc1c(cccc1SCCF)Cl 62a_100010190421_100011217306 [0,2,0,0,0,0|2,0,0]=4 12203 B12R1.25 Nc1c(cccc1SCCF)Cl 62a_100011217306_100010190421 [0,2,0,0,0,0|2,0,0]=4 12204 B12R1.25 Nc1c(cccc1SCCF)F 62a_100000042321_100011217306 [0,2,0,0,0,0|2,0,0]=4 12205 B12R1.25 Nc1c(cccc1SCCF)F 62a_100011217306_100000042321 [0,2,0,0,0,0|2,0,0]=4 12206 B12R1.25 Nc1c(cccc1SCCF)O 62a_100011217306_100011934926 [0,2,0,0,0,0|2,0,0]=4 12207 B12R1.25 Nc1c(cccc1SCCO)Br 62a_100000211926_100010146558 [0,2,0,0,0,0|1,0,0]=3 12208 B12R1.25 Nc1c(cccc1SCCO)Br 62a_100010146558_100000211926 [0,2,0,0,0,0|1,0,0]=3 12209 B12R1.25 Nc1c(cccc1SCCO)Cl 62a_100000211926_100010190421 [0,2,0,0,0,0|1,0,0]=3 12210 B12R1.25 Nc1c(cccc1SCCO)Cl 62a_100010190421_100000211926 [0,2,0,0,0,0|1,0,0]=3 12211 B12R1.25 Nc1c(cccc1SCCO)F 62a_100000042321_100000211926 [0,2,0,0,0,0|1,0,0]=3 12212 B12R1.25 Nc1c(cccc1SCCO)F 62a_100000211926_100000042321 [0,2,0,0,0,0|1,0,0]=3 12213 B12R1.25 Nc1c(cccc1SCCO)O 62a_100000211926_100011934926 [0,2,0,0,0,0|1,0,0]=3 12214 B12R1.25 Nc1c(ccnc1Cl)OCCO 34a_100000128729_100000211926 [0,2,0,0,0,0|2,0,0]=4 12215 B12R1.25 Nc1c(cncc1SCCO)Br 62a_100000211926_100011290786 [0,2,0,0,0,0|2,0,0]=4 12216 B12R1.25 Nc1c(cncc1SCCO)Br 62a_100011290786_100000211926 [0,2,0,0,0,0|2,0,0]=4 12217 B12R1.25 Nc1c(cncc1SCCO)Cl 62a_100000211926_100000684942 [0,2,0,0,0,0|2,0,0]=4 12218 B12R1.25 Nc1c(cncc1SCCO)Cl 62a_100000684942_100000211926 [0,2,0,0,0,0|2,0,0]=4 12219 B12R1.25 Nc1c(cncc1SCCO)F 62a_100000211926_100009880649 [0,2,0,0,0,0|2,0,0]=4 12220 B12R1.25 Nc1c(cncc1SCCO)F 62a_100009880649_100000211926 [0,2,0,0,0,0|2,0,0]=4 12221 B12R1.25 Nc1cccc(c1Br)OCCF 34a_100012183704_100011217306 [0,2,0,0,0,0|2,0,0]=4 12222 B12R1.25 Nc1cccc(c1Br)OCCF 7a_100012183704_100011217306 [0,2,0,0,0,0|2,0,0]=4 12223 B12R1.25 Nc1cccc(c1Br)OCCO 34a_100012183704_100000211926 [0,2,0,0,0,0|1,0,0]=3 12224 B12R1.25 Nc1cccc(c1Br)OCCO 7a_100012183704_100000211926 [0,2,0,0,0,0|1,0,0]=3 12225 B12R1.25 Nc1cccc(c1Cl)OCCF 34a_100012002038_100011217306 [0,2,0,0,0,0|2,0,0]=4 12226 B12R1.25 Nc1cccc(c1Cl)OCCF 7a_100012002038_100011217306 [0,2,0,0,0,0|2,0,0]=4 12227 B12R1.25 Nc1cccc(c1Cl)OCCO 34a_100012002038_100000211926 [0,2,0,0,0,0|1,0,0]=3 12228 B12R1.25 Nc1cccc(c1Cl)OCCO 7a_100012002038_100000211926 [0,2,0,0,0,0|1,0,0]=3 12229 B12R1.25 Nc1cccc(c1F)COCF 34a_100012023829_100015361967 [0,2,0,0,0,0|2,0,0]=4 12230 B12R1.25 Nc1cccc(c1F)SCCF 62a_100011217306_100011935091 [0,2,0,0,0,0|2,0,0]=4 12231 B12R1.25 Nc1cccc(c1F)SCCF 62a_100011935091_100011217306 [0,2,0,0,0,0|2,0,0]=4 12232 B12R1.25 Nc1cccc(c1F)SCCO 62a_100000211926_100011935091 [0,2,0,0,0,0|1,0,0]=3 12233 B12R1.25 Nc1cccc(c1F)SCCO 62a_100011935091_100000211926 [0,2,0,0,0,0|1,0,0]=3 12234 B12R1.25 Nc1cccc(c1N)OCCF 34a_100000033209_100011217306 [0,2,0,0,0,0|2,0,0]=4 12235 B12R1.25 Nc1cccc(c1N)OCCO 34a_100000033209_100000211926 [0,2,0,0,0,0|1,0,0]=3 12236 B12R1.25 Nc1cccc(c1N)SCCF 62a_100015191791_100011217306 [0,2,0,0,0,0|2,0,0]=4 12237 B12R1.25 Nc1cccc(c1N)SCCO 62a_100015191791_100000211926 [0,2,0,0,0,0|1,0,0]=3 12238 B12R1.25 Nc1cccc(c1O)SCCF 62a_100011217306_100010084371 [0,2,0,0,0,0|2,0,0]=4 12239 B12R1.25 Nc1cccc(c1O)SCCF 62a_100011934915_100011217306 [0,2,0,0,0,0|2,0,0]=4 12240 B12R1.25 Nc1cccc(c1O)SCCO 62a_100000211926_100010084371 [0,2,0,0,0,0|1,0,0]=3 12241 B12R1.25 Nc1cccc(c1O)SCCO 62a_100011934915_100000211926 [0,2,0,0,0,0|1,0,0]=3 12242 B12R1.25 Nc1ccnc(c1Cl)OCCO 34a_200000093555_100000211926 [0,2,0,0,0,0|2,0,0]=4 12243 B12R1.25 Nc1ccnc(c1F)SCCO 62a_100000211926_100015205195 [0,2,0,0,0,0|2,0,0]=4 12244 B12R1.25 Nc1ccnc(c1F)SCCO 62a_100015205195_100000211926 [0,2,0,0,0,0|2,0,0]=4 12245 B12R1.25 Nc1ccnc(c1N)SCCO 62a_100000085203_100000211926 [0,2,0,0,0,0|2,0,0]=4 12246 B12R1.25 Nc1ccnc(c1N)SCCO 62a_100000211926_100000085203 [0,2,0,0,0,0|2,0,0]=4 12247 B12R1.25 Nc1ccnc(c1O)SCCO 62a_100000211926_100009844647 [0,2,0,0,0,0|2,0,0]=4 12248 B12R1.25 Nc1cncc(c1N)SCCO 62a_100000211926_100000694774 [0,2,0,0,0,0|2,0,0]=4 12249 B12R1.25 Nc1cncc(c1N)SCCO 62a_100000694774_100000211926 [0,2,0,0,0,0|2,0,0]=4 12250 B12R1.25 Nc1cncc(c1O)SCCO 62a_100000211926_100000694263 [0,2,0,0,0,0|2,0,0]=4 12251 B12R1.25 Nc1cncc(c1O)SCCO 62a_100000694263_100000211926 [0,2,0,0,0,0|2,0,0]=4 12252 B12R1.25 Nc1nccc(c1Cl)SCCO 62a_100000211926_100010735111 [0,2,0,0,0,0|2,0,0]=4 12253 B12R1.25 Nc1nccc(c1Cl)SCCO 62a_100010735111_100000211926 [0,2,0,0,0,0|2,0,0]=4 12254 B12R1.25 Nc1nccc(c1F)SCCO 62a_100000211926_100010077785 [0,2,0,0,0,0|2,0,0]=4 12255 B12R1.25 Nc1nccc(c1F)SCCO 62a_100010077785_100000211926 [0,2,0,0,0,0|2,0,0]=4 12256 B12R1.25 Nc1nccc(c1N)SCCO 62a_100000124095_100000211926 [0,2,0,0,0,0|2,0,0]=4 12257 B12R1.25 OCCNc1cccc(c1Br)Cl 34a_100000687072_100000211926 [0,2,0,0,0,0|1,0,0]=3 12258 B12R1.25 OCCNc1cccc(c1Br)F 34a_100011934729_100000211926 [0,2,0,0,0,0|1,0,0]=3 12259 B12R1.25 OCCNc1cccc(c1Br)O 34a_100012183704_100000211926 [0,2,0,0,0,0|1,0,0]=3 12260 B12R1.25 OCCNc1cccc(c1Br)O 7a_100012183704_100000211926 [0,2,0,0,0,0|1,0,0]=3 12261 B12R1.25 OCCNc1cccc(c1Cl)Br 34a_100000687075_100000211926 [0,2,0,0,0,0|1,0,0]=3 12262 B12R1.25 OCCNc1cccc(c1Cl)Cl 34a_100000185733_100000211926 [0,2,0,0,0,0|1,0,0]=3 12263 B12R1.25 OCCNc1cccc(c1Cl)F 34a_100000692321_100000211926 [0,2,0,0,0,0|1,0,0]=3 12264 B12R1.25 OCCNc1cccc(c1Cl)O 34a_100012002038_100000211926 [0,2,0,0,0,0|1,0,0]=3 12265 B12R1.25 OCCNc1cccc(c1Cl)O 7a_100012002038_100000211926 [0,2,0,0,0,0|1,0,0]=3 12266 B12R1.25 OCCNc1cccc(c1F)Br 2230a_100011935091_100000211926 [0,2,0,0,0,0|1,0,0]=3 12267 B12R1.25 OCCNc1cccc(c1F)Br 34a_100011935091_100000211926 [0,2,0,0,0,0|1,0,0]=3 12268 B12R1.25 OCCNc1cccc(c1F)Cl 2230a_100000199060_100000211926 [0,2,0,0,0,0|1,0,0]=3 12269 B12R1.25 OCCNc1cccc(c1F)Cl 34a_100000199060_100000211926 [0,2,0,0,0,0|1,0,0]=3 12270 B12R1.25 OCCNc1cccc(c1F)F 34a_100000743855_100000211926 [0,2,0,0,0,0|1,0,0]=3 12271 B12R1.25 OCCNc1cccc(c1I)Br 34a_100020590159_100000211926 [0,2,0,0,0,0|1,0,0]=3 12272 B12R1.25 OCCNc1cccc(c1I)Cl 34a_100000049713_100000211926 [0,2,0,0,0,0|1,0,0]=3 12273 B12R1.25 OCCNc1cccc(c1I)F 34a_100000690935_100000211926 [0,2,0,0,0,0|1,0,0]=3 12274 B12R1.25 OCCNc1cccc(c1O)Br 34a_100011934915_100000211926 [0,2,0,0,0,0|1,0,0]=3 12275 B12R1.25 OCCNc1cccc(c1O)Cl 34a_100000754742_100000211926 [0,2,0,0,0,0|1,0,0]=3 12276 B12R1.25 OCCNc1cccc(c1O)F 34a_100011934987_100000211926 [0,2,0,0,0,0|1,0,0]=3 12277 B12R1.25 OCCNc1ccnc(c1Br)F 27a_100000210304_100010006599 [0,2,0,0,0,0|2,0,0]=4 12278 B12R1.25 OCCNc1ccnc(c1Cl)F 27a_100000210304_100010067886 [0,2,0,0,0,0|2,0,0]=4 12279 B12R1.25 OCCNc1ccnc(c1F)F 27a_100000210304_100010214882 [0,2,0,0,0,0|2,0,0]=4 12280 B12R1.25 OCCOc1cccc(c1Br)Br 34a_100010187966_100000211926 [0,2,0,0,0,0|1,0,0]=3 12281 B12R1.25 OCCOc1cccc(c1Br)Br 7a_100010187966_100000211926 [0,2,0,0,0,0|1,0,0]=3 12282 B12R1.25 OCCOc1cccc(c1Br)Cl 34a_100012348804_100000211926 [0,2,0,0,0,0|1,0,0]=3 12283 B12R1.25 OCCOc1cccc(c1Br)Cl 7a_100012348804_100000211926 [0,2,0,0,0,0|1,0,0]=3 12284 B12R1.25 OCCOc1cccc(c1Br)F 34a_100009820682_100000211926 [0,2,0,0,0,0|1,0,0]=3 12285 B12R1.25 OCCOc1cccc(c1Br)F 7a_100009820682_100000211926 [0,2,0,0,0,0|1,0,0]=3 12286 B12R1.25 OCCOc1cccc(c1Br)I 34a_100010187914_100000211926 [0,2,0,0,0,0|1,0,0]=3 12287 B12R1.25 OCCOc1cccc(c1Br)I 7a_100010187914_100000211926 [0,2,0,0,0,0|1,0,0]=3 12288 B12R1.25 OCCOc1cccc(c1Cl)Br 34a_100010187913_100000211926 [0,2,0,0,0,0|1,0,0]=3 12289 B12R1.25 OCCOc1cccc(c1Cl)Br 7a_100010187913_100000211926 [0,2,0,0,0,0|1,0,0]=3 12290 B12R1.25 OCCOc1cccc(c1Cl)Cl 34a_100000211076_100000211926 [0,2,0,0,0,0|1,0,0]=3 12291 B12R1.25 OCCOc1cccc(c1Cl)Cl 7a_100000211076_100000211926 [0,2,0,0,0,0|1,0,0]=3 12292 B12R1.25 OCCOc1cccc(c1Cl)F 34a_100000087408_100000211926 [0,2,0,0,0,0|1,0,0]=3 12293 B12R1.25 OCCOc1cccc(c1Cl)F 7a_100000087408_100000211926 [0,2,0,0,0,0|1,0,0]=3 12294 B12R1.25 OCCOc1cccc(c1Cl)I 34a_100000049636_100000211926 [0,2,0,0,0,0|1,0,0]=3 12295 B12R1.25 OCCOc1cccc(c1Cl)I 7a_100000049636_100000211926 [0,2,0,0,0,0|1,0,0]=3 12296 B12R1.25 OCCOc1cccc(c1F)Br 34a_100009817021_100000211926 [0,2,0,0,0,0|1,0,0]=3 12297 B12R1.25 OCCOc1cccc(c1F)Br 7a_100009817021_100000211926 [0,2,0,0,0,0|1,0,0]=3 12298 B12R1.25 OCCOc1cccc(c1F)Cl 34a_100000687438_100000211926 [0,2,0,0,0,0|1,0,0]=3 12299 B12R1.25 OCCOc1cccc(c1F)Cl 7a_100000687438_100000211926 [0,2,0,0,0,0|1,0,0]=3 12300 B12R1.25 OCCOc1cccc(c1F)F 34a_100000751161_100000211926 [0,2,0,0,0,0|1,0,0]=3 12301 B12R1.25 OCCOc1cccc(c1F)F 7a_100000751161_100000211926 [0,2,0,0,0,0|1,0,0]=3 12302 B12R1.25 OCCOc1cccc(c1I)Br 34a_100010187912_100000211926 [0,2,0,0,0,0|1,0,0]=3 12303 B12R1.25 OCCOc1cccc(c1I)Br 7a_100010187912_100000211926 [0,2,0,0,0,0|1,0,0]=3 12304 B12R1.25 OCCOc1cccc(c1I)Cl 34a_100000050174_100000211926 [0,2,0,0,0,0|1,0,0]=3 12305 B12R1.25 OCCOc1cccc(c1I)Cl 7a_100000050174_100000211926 [0,2,0,0,0,0|1,0,0]=3 12306 B12R1.25 OCCOc1cccc(c1I)F 34a_100000690913_100000211926 [0,2,0,0,0,0|1,0,0]=3 12307 B12R1.25 OCCOc1cccc(c1I)F 7a_100000690913_100000211926 [0,2,0,0,0,0|1,0,0]=3 12308 B12R1.25 OCCOc1ccnc(c1Br)Cl 34a_100010136240_100000211926 [0,2,0,0,0,0|2,0,0]=4 12309 B12R1.25 OCCOc1ccnc(c1Cl)Cl 34a_100009860235_100000211926 [0,2,0,0,0,0|2,0,0]=4 12310 B12R1.25 OCCOc1ccnc(c1F)Br 34a_100009876375_100000211926 [0,2,0,0,0,0|2,0,0]=4 12311 B12R1.25 OCCOc1ccnc(c1F)Cl 34a_100009856406_100000211926 [0,2,0,0,0,0|2,0,0]=4 12312 B12R1.25 OCCSc1cccc(c1Br)Br 62a_100000211926_100010175083 [0,2,0,0,0,0|1,0,0]=3 12313 B12R1.25 OCCSc1cccc(c1Br)Br 62a_100010175083_100000211926 [0,2,0,0,0,0|1,0,0]=3 12314 B12R1.25 OCCSc1cccc(c1Br)Cl 62a_100000211926_100014021842 [0,2,0,0,0,0|1,0,0]=3 12315 B12R1.25 OCCSc1cccc(c1Br)Cl 62a_100014021842_100000211926 [0,2,0,0,0,0|1,0,0]=3 12316 B12R1.25 OCCSc1cccc(c1Br)F 62a_100000211926_100010202630 [0,2,0,0,0,0|1,0,0]=3 12317 B12R1.25 OCCSc1cccc(c1Br)F 62a_100010202630_100000211926 [0,2,0,0,0,0|1,0,0]=3 12318 B12R1.25 OCCSc1cccc(c1Br)O 62a_100000211926_100010187914 [0,2,0,0,0,0|1,0,0]=3 12319 B12R1.25 OCCSc1cccc(c1Br)O 62a_100010187914_100000211926 [0,2,0,0,0,0|1,0,0]=3 12320 B12R1.25 OCCSc1cccc(c1Cl)Br 62a_100000211926_100010142854 [0,2,0,0,0,0|1,0,0]=3 12321 B12R1.25 OCCSc1cccc(c1Cl)Br 62a_100010142854_100000211926 [0,2,0,0,0,0|1,0,0]=3 12322 B12R1.25 OCCSc1cccc(c1Cl)Cl 62a_100000211926_100011215384 [0,2,0,0,0,0|1,0,0]=3 12323 B12R1.25 OCCSc1cccc(c1Cl)Cl 62a_100011215384_100000211926 [0,2,0,0,0,0|1,0,0]=3 12324 B12R1.25 OCCSc1cccc(c1Cl)F 62a_100000211926_200010234923 [0,2,0,0,0,0|1,0,0]=3 12325 B12R1.25 OCCSc1cccc(c1Cl)F 62a_200010234923_100000211926 [0,2,0,0,0,0|1,0,0]=3 12326 B12R1.25 OCCSc1cccc(c1Cl)O 62a_100000211926_100000049636 [0,2,0,0,0,0|1,0,0]=3 12327 B12R1.25 OCCSc1cccc(c1F)Br 62a_100000211926_100000702267 [0,2,0,0,0,0|1,0,0]=3 12328 B12R1.25 OCCSc1cccc(c1F)Br 62a_100000702267_100000211926 [0,2,0,0,0,0|1,0,0]=3 12329 B12R1.25 OCCSc1cccc(c1F)Cl 62a_100000211926_100011217346 [0,2,0,0,0,0|1,0,0]=3 12330 B12R1.25 OCCSc1cccc(c1F)Cl 62a_100011217346_100000211926 [0,2,0,0,0,0|1,0,0]=3 12331 B12R1.25 OCCSc1cccc(c1F)F 62a_100000211926_100000694657 [0,2,0,0,0,0|1,0,0]=3 12332 B12R1.25 OCCSc1cccc(c1F)F 62a_100000694657_100000211926 [0,2,0,0,0,0|1,0,0]=3 12333 B12R1.25 OCCSc1cccc(c1F)O 62a_100000211926_100009817021 [0,2,0,0,0,0|1,0,0]=3 12334 B12R1.25 OCCSc1cccc(c1F)O 62a_100009817021_100000211926 [0,2,0,0,0,0|1,0,0]=3 12335 B12R1.25 OCCSc1cccc(c1O)Br 62a_100000211926_100010084509 [0,2,0,0,0,0|1,0,0]=3 12336 B12R1.25 OCCSc1cccc(c1O)Br 62a_100010084509_100000211926 [0,2,0,0,0,0|1,0,0]=3 12337 B12R1.25 OCCSc1cccc(c1O)Cl 62a_100000211926_100010202889 [0,2,0,0,0,0|1,0,0]=3 12338 B12R1.25 OCCSc1cccc(c1O)Cl 62a_100010202889_100000211926 [0,2,0,0,0,0|1,0,0]=3 12339 B12R1.25 OCCSc1cccc(c1O)F 62a_100000211926_100009813666 [0,2,0,0,0,0|1,0,0]=3 12340 B12R1.25 OCCSc1cccc(c1O)F 62a_100009813666_100000211926 [0,2,0,0,0,0|1,0,0]=3 12341 B12R1.25 OCCSc1cccc(c1O)O 62a_100000211926_100009815950 [0,2,0,0,0,0|1,0,0]=3 12342 B12R1.25 OCCSc1ccnc(c1Br)F 62a_100000211926_100010006599 [0,2,0,0,0,0|2,0,0]=4 12343 B12R1.25 OCCSc1ccnc(c1Br)F 62a_100010006599_100000211926 [0,2,0,0,0,0|2,0,0]=4 12344 B12R1.25 OCCSc1ccnc(c1Cl)Cl 62a_100000211926_100010246212 [0,2,0,0,0,0|2,0,0]=4 12345 B12R1.25 OCCSc1ccnc(c1Cl)Cl 62a_100010246212_100000211926 [0,2,0,0,0,0|2,0,0]=4 12346 B12R1.25 OCCSc1ccnc(c1Cl)F 62a_100000211926_100010067886 [0,2,0,0,0,0|2,0,0]=4 12347 B12R1.25 OCCSc1ccnc(c1Cl)F 62a_100010067886_100000211926 [0,2,0,0,0,0|2,0,0]=4 12348 B12R1.25 OCCSc1ccnc(c1F)Br 62a_100000211926_200015269031 [0,2,0,0,0,0|2,0,0]=4 12349 B12R1.25 OCCSc1ccnc(c1F)Br 62a_200015269031_100000211926 [0,2,0,0,0,0|2,0,0]=4 12350 B12R1.25 OCCSc1ccnc(c1F)Cl 62a_100000211926_100010150473 [0,2,0,0,0,0|2,0,0]=4 12351 B12R1.25 OCCSc1ccnc(c1F)Cl 62a_100010150473_100000211926 [0,2,0,0,0,0|2,0,0]=4 12352 B12R1.25 OCCSc1ccnc(c1F)F 62a_100000211926_100010214882 [0,2,0,0,0,0|2,0,0]=4 12353 B12R1.25 OCCSc1ccnc(c1F)F 62a_100010214882_100000211926 [0,2,0,0,0,0|2,0,0]=4 12354 B12R1.25 OCCSc1ccnc(c1O)Cl 62a_100000211926_100010067911 [0,2,0,0,0,0|2,0,0]=4 12355 B12R1.25 OCCSc1nccc(c1F)O 62a_100000211926_100009876375 [0,2,0,0,0,0|2,0,0]=4 12356 B12R1.25 OCCSc1nccc(c1F)O 62a_100009876375_100000211926 [0,2,0,0,0,0|2,0,0]=4 12357 B12R1.25 OCCSc1nccc(c1O)F 62a_100000211926_100009867227 [0,2,0,0,0,0|2,0,0]=4 12358 B12R1.25 Oc1c(cccc1NCCF)Br 34a_100011934915_100011217306 [0,2,0,0,0,0|2,0,0]=4 12359 B12R1.25 Oc1c(cccc1NCCF)Cl 34a_100000754742_100011217306 [0,2,0,0,0,0|2,0,0]=4 12360 B12R1.25 Oc1c(cccc1NCCF)F 34a_100011934987_100011217306 [0,2,0,0,0,0|2,0,0]=4 12361 B12R1.25 Oc1c(cccc1SCCF)Br 62a_100010084509_100011217306 [0,2,0,0,0,0|2,0,0]=4 12362 B12R1.25 Oc1c(cccc1SCCF)Br 62a_100011217306_100010084509 [0,2,0,0,0,0|2,0,0]=4 12363 B12R1.25 Oc1c(cccc1SCCF)Cl 62a_100010202889_100011217306 [0,2,0,0,0,0|2,0,0]=4 12364 B12R1.25 Oc1c(cccc1SCCF)Cl 62a_100011217306_100010202889 [0,2,0,0,0,0|2,0,0]=4 12365 B12R1.25 Oc1c(cccc1SCCF)F 62a_100009813666_100011217306 [0,2,0,0,0,0|2,0,0]=4 12366 B12R1.25 Oc1c(cccc1SCCF)F 62a_100011217306_100009813666 [0,2,0,0,0,0|2,0,0]=4 12367 B12R1.25 Oc1cccc(c1Br)NCCF 34a_100012183704_100011217306 [0,2,0,0,0,0|2,0,0]=4 12368 B12R1.25 Oc1cccc(c1Br)NCCF 7a_100012183704_100011217306 [0,2,0,0,0,0|2,0,0]=4 12369 B12R1.25 Oc1cccc(c1Br)SCCF 62a_100010187914_100011217306 [0,2,0,0,0,0|2,0,0]=4 12370 B12R1.25 Oc1cccc(c1Br)SCCF 62a_100011217306_100010187914 [0,2,0,0,0,0|2,0,0]=4 12371 B12R1.25 Oc1cccc(c1Cl)NCCF 34a_100012002038_100011217306 [0,2,0,0,0,0|2,0,0]=4 12372 B12R1.25 Oc1cccc(c1Cl)NCCF 7a_100012002038_100011217306 [0,2,0,0,0,0|2,0,0]=4 12373 B12R1.25 Oc1cccc(c1Cl)SCCF 62a_100011217306_100000049636 [0,2,0,0,0,0|2,0,0]=4 12374 B12R1.25 Oc1cccc(c1F)CNCF 34a_100025773512_100015361967 [0,2,0,0,0,0|2,0,0]=4 12375 B12R1.25 Oc1cccc(c1F)SCCF 62a_100009817021_100011217306 [0,2,0,0,0,0|2,0,0]=4 12376 B12R1.25 Oc1cccc(c1F)SCCF 62a_100011217306_100009817021 [0,2,0,0,0,0|2,0,0]=4 12377 B12R1.25 Oc1cccc(c1O)SCCF 62a_100011217306_100009815950 [0,2,0,0,0,0|2,0,0]=4 12378 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 2230a_100000741019_200025704644 [0,2,0,0,0,0|2,0,0]=4 12379 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 34a_100000741019_200025704644 [0,2,0,0,0,0|2,0,0]=4 12380 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 34a_100011754357_200025704644 [0,2,0,0,0,0|2,0,0]=4 12381 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 7a_100011754357_200025704644 [0,2,0,0,0,0|2,0,0]=4 12382 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 34a_100011830271_200025704644 [0,2,0,0,0,0|2,0,0]=4 12383 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 7a_100011830271_200025704644 [0,2,0,0,0,0|2,0,0]=4 12384 B12R1.25 [13CH3]OCCc1cccc(c1F)F 34a_100000698707_200025704644 [0,2,0,0,0,0|2,0,0]=4 12385 B12R1.25 [13CH3]OCCc1cccc(c1F)F 7a_100000698707_200025704644 [0,2,0,0,0,0|2,0,0]=4 12386 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_100000723033_200025704644 [0,2,0,0,0,0|2,0,0]=4 12387 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_200025704644_100000723033 [0,2,0,0,0,0|2,0,0]=4 12388 B12R1.121 C#Cc1ccccc1CNCC 34a_100020634229_100000210202 [0,2,0,0,0,0|2,0,0]=4 12389 B12R1.121 C#Cc1ccccc1CNCF 34a_100020634229_100015361967 [0,2,0,0,0,0|2,0,0]=4 12390 B12R1.121 C#Cc1ccccc1COCC 34a_100000054652_100000210202 [0,2,0,0,0,0|2,0,0]=4 12391 B12R1.121 C#Cc1ccccc1COCC 7a_100000054652_100000210202 [0,2,0,0,0,0|2,0,0]=4 12392 B12R1.121 C#Cc1ccccc1COCF 34a_100000054652_100015361967 [0,2,0,0,0,0|2,0,0]=4 12393 B12R1.121 C#Cc1ccccc1COCF 7a_100000054652_100015361967 [0,2,0,0,0,0|2,0,0]=4 12394 B12R1.121 C#Cc1ccccc1NCCC 34a_100011470550_100000210303 [0,2,0,0,0,0|2,0,0]=4 12395 B12R1.121 C#Cc1ccccc1NCCF 34a_100011470550_100011217306 [0,2,0,0,0,0|2,0,0]=4 12396 B12R1.121 C#Cc1ccccc1NCCO 34a_100011470550_100000211926 [0,2,0,0,0,0|1,0,0]=3 12397 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,2,0,0,0,0|2,0,0]=4 12398 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,2,0,0,0,0|2,0,0]=4 12399 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [0,2,0,0,0,0|2,0,0]=4 12400 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [0,2,0,0,0,0|2,0,0]=4 12401 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [0,2,0,0,0,0|1,0,0]=3 12402 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [0,2,0,0,0,0|1,0,0]=3 12403 B12R1.121 C=Cc1ccccc1C#CCO 271570a_100011290941_100009814404 [0,2,0,0,0,0|0,0,2]=4 12404 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,2,0,0,0,0|0,0,2]=4 12405 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,2,0,0,0,0|0,0,0]=2 12406 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [0,2,0,0,0,0|2,0,0]=4 12407 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [0,2,0,0,0,0|2,0,0]=4 12408 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [0,2,0,0,0,0|2,0,0]=4 12409 B12R1.121 C=Cc1ccccc1COCF 34a_200010883148_100015361967 [0,2,0,0,0,0|2,0,0]=4 12410 B12R1.121 C=Cc1ccccc1COCF 7a_200010883148_100015361967 [0,2,0,0,0,0|2,0,0]=4 12411 B12R1.121 C=Cc1ccccc1CSCC 271570a_100011290941_200000173030 [0,2,0,0,0,0|2,0,0]=4 12412 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [0,2,0,0,0,0|2,0,0]=4 12413 B12R1.121 C=Cc1ccccc1NCCF 34a_100012022501_100011217306 [0,2,0,0,0,0|2,0,0]=4 12414 B12R1.121 C=Cc1ccccc1NCCO 34a_100012022501_100000211926 [0,2,0,0,0,0|1,0,0]=3 12415 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,2,0,0,0,0|2,0,0]=4 12416 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,2,0,0,0,0|2,0,0]=4 12417 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,2,0,0,0,0|1,0,0]=3 12418 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [0,2,0,0,0,0|2,0,0]=4 12419 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [0,2,0,0,0,0|2,0,0]=4 12420 B12R1.121 C=Cc1ccccc1SCCF 62a_100011217306_100011218376 [0,2,0,0,0,0|2,0,0]=4 12421 B12R1.121 C=Cc1ccccc1SCCF 62a_100011218376_100011217306 [0,2,0,0,0,0|2,0,0]=4 12422 B12R1.121 C=Cc1ccccc1SCCO 271570a_100011290941_200000230852 [0,2,0,0,0,0|1,0,0]=3 12423 B12R1.121 C=Cc1ccccc1SCCO 62a_100000211926_100011218376 [0,2,0,0,0,0|1,0,0]=3 12424 B12R1.121 C=Cc1ccccc1SCCO 62a_100011218376_100000211926 [0,2,0,0,0,0|1,0,0]=3 12425 B12R1.121 C=Cc1cccnc1NCCO 271570a_100011290941_200011464885 [0,2,0,0,0,0|2,0,0]=4 12426 B12R1.121 CCCCc1ccccc1C#N 271570a_100020621405_100000188569 [0,2,0,0,0,0|1,0,0]=3 12427 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,2,0,0,0,0|1,0,0]=3 12428 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,2,0,0,0,0|1,0,0]=3 12429 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,2,0,0,0,0|1,0,0]=3 12430 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,2,0,0,0,0|1,0,0]=3 12431 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,2,0,0,0,0|1,0,0]=3 12432 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,2,0,0,0,0|1,0,0]=3 12433 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,2,0,0,0,0|1,0,0]=3 12434 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,2,0,0,0,0|1,0,0]=3 12435 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [0,2,0,0,0,0|1,0,0]=3 12436 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,2,0,0,0,0|1,0,0]=3 12437 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,2,0,0,0,0|1,0,0]=3 12438 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,2,0,0,0,0|1,0,0]=3 12439 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,2,0,0,0,0|1,0,0]=3 12440 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,2,0,0,0,0|1,0,0]=3 12441 B12R1.121 CCCCc1cccnc1C#N 271570a_100020621405_100000685805 [0,2,0,0,0,0|2,0,0]=4 12442 B12R1.121 CCCCc1cccnc1C=O 271570a_100020621405_100011934733 [0,2,0,0,0,0|2,0,0]=4 12443 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [0,2,0,0,0,0|2,0,0]=4 12444 B12R1.121 CCCCc1cccnc1CN 271570a_100020621405_100020591323 [0,2,0,0,0,0|2,0,0]=4 12445 B12R1.121 CCCCc1cccnc1CO 271570a_100020621405_100011996772 [0,2,0,0,0,0|2,0,0]=4 12446 B12R1.121 CCCCc1cccnc1NC 271570a_100020621405_100000700899 [0,2,0,0,0,0|2,0,0]=4 12447 B12R1.121 CCCCc1cccnc1NN 271570a_100020621405_100011464834 [0,2,0,0,0,0|2,0,0]=4 12448 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [0,2,0,0,0,0|2,0,0]=4 12449 B12R1.121 CCCCc1cccnc1SC 271570a_100020621405_100011465278 [0,2,0,0,0,0|2,0,0]=4 12450 B12R1.121 CCCCc1ccncc1C#N 271570a_100020621405_100000687039 [0,2,0,0,0,0|2,0,0]=4 12451 B12R1.121 CCCCc1ccncc1C=O 271570a_100020621405_100000050567 [0,2,0,0,0,0|2,0,0]=4 12452 B12R1.121 CCCCc1ccncc1CC 271570a_100020621405_100025704421 [0,2,0,0,0,0|2,0,0]=4 12453 B12R1.121 CCCCc1ccncc1CO 271570a_100020621405_100000117392 [0,2,0,0,0,0|2,0,0]=4 12454 B12R1.121 CCCCc1ccncc1OC 271570a_100020621405_100016988167 [0,2,0,0,0,0|2,0,0]=4 12455 B12R1.121 CCCCc1cnccc1C#N 271570a_100020621405_100000684818 [0,2,0,0,0,0|2,0,0]=4 12456 B12R1.121 CCCCc1cnccc1C=O 271570a_100020621405_100011934409 [0,2,0,0,0,0|2,0,0]=4 12457 B12R1.121 CCCCc1cnccc1CC 271570a_100020621405_100009819861 [0,2,0,0,0,0|2,0,0]=4 12458 B12R1.121 CCCCc1cnccc1CN 271570a_100020621405_100020640021 [0,2,0,0,0,0|2,0,0]=4 12459 B12R1.121 CCCCc1cnccc1CO 271570a_100020621405_100009873359 [0,2,0,0,0,0|2,0,0]=4 12460 B12R1.121 CCCCc1cnccc1NC 271570a_100020621405_100010069531 [0,2,0,0,0,0|2,0,0]=4 12461 B12R1.121 CCCCc1cnccc1NN 271570a_100020621405_100013404636 [0,2,0,0,0,0|2,0,0]=4 12462 B12R1.121 CCCCc1cnccc1OC 271570a_100020621405_100011997281 [0,2,0,0,0,0|2,0,0]=4 12463 B12R1.121 CCCCc1ncccc1C#N 271570a_100020621405_100000211984 [0,2,0,0,0,0|2,0,0]=4 12464 B12R1.121 CCCCc1ncccc1C=O 271570a_100020621405_100009816751 [0,2,0,0,0,0|2,0,0]=4 12465 B12R1.121 CCCCc1ncccc1CN 271570a_100020621405_100015189234 [0,2,0,0,0,0|2,0,0]=4 12466 B12R1.121 CCCCc1ncccc1CO 271570a_100020621405_100000748726 [0,2,0,0,0,0|2,0,0]=4 12467 B12R1.121 CCCCc1ncccc1NC 271570a_100020621405_200011806188 [0,2,0,0,0,0|2,0,0]=4 12468 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [0,2,0,0,0,0|2,0,0]=4 12469 B12R1.121 CCCNc1ccccc1C#N 34a_100000211148_100000210303 [0,2,0,0,0,0|2,0,0]=4 12470 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 12471 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 12472 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 12473 B12R1.121 CCCNc1ccccc1CO 34a_100000212039_100000210303 [0,2,0,0,0,0|2,0,0]=4 12474 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [0,2,0,0,0,0|2,0,0]=4 12475 B12R1.121 CCCNc1ccccc1SC 34a_100000211160_100000210303 [0,2,0,0,0,0|2,0,0]=4 12476 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,2,0,0,0,0|2,0,0]=4 12477 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,2,0,0,0,0|2,0,0]=4 12478 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,2,0,0,0,0|2,0,0]=4 12479 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,2,0,0,0,0|2,0,0]=4 12480 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,2,0,0,0,0|2,0,0]=4 12481 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,2,0,0,0,0|2,0,0]=4 12482 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,2,0,0,0,0|2,0,0]=4 12483 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,2,0,0,0,0|2,0,0]=4 12484 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,2,0,0,0,0|2,0,0]=4 12485 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,2,0,0,0,0|2,0,0]=4 12486 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,2,0,0,0,0|2,0,0]=4 12487 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,2,0,0,0,0|2,0,0]=4 12488 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,2,0,0,0,0|2,0,0]=4 12489 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,2,0,0,0,0|2,0,0]=4 12490 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,2,0,0,0,0|2,0,0]=4 12491 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,2,0,0,0,0|2,0,0]=4 12492 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,2,0,0,0,0|2,0,0]=4 12493 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,2,0,0,0,0|2,0,0]=4 12494 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,2,0,0,0,0|2,0,0]=4 12495 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,2,0,0,0,0|2,0,0]=4 12496 B12R1.121 CCCSc1ccccc1C#N 62a_100000210303_100000188569 [0,2,0,0,0,0|2,0,0]=4 12497 B12R1.121 CCCSc1ccccc1C=O 62a_100000210073_100000210303 [0,2,0,0,0,0|2,0,0]=4 12498 B12R1.121 CCCSc1ccccc1C=O 62a_100000210303_100000210073 [0,2,0,0,0,0|2,0,0]=4 12499 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [0,2,0,0,0,0|2,0,0]=4 12500 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [0,2,0,0,0,0|2,0,0]=4 12501 B12R1.121 CCCSc1ccccc1CN 62a_100000210303_100000689332 [0,2,0,0,0,0|2,0,0]=4 12502 B12R1.121 CCCSc1ccccc1CN 62a_100000689332_100000210303 [0,2,0,0,0,0|2,0,0]=4 12503 B12R1.121 CCCSc1ccccc1CO 62a_100000187465_100000210303 [0,2,0,0,0,0|2,0,0]=4 12504 B12R1.121 CCCSc1ccccc1CO 62a_100000210303_100000187465 [0,2,0,0,0,0|2,0,0]=4 12505 B12R1.121 CCCSc1ccccc1NC 34a_100015184514_200000210301 [0,2,0,0,0,0|2,0,0]=4 12506 B12R1.121 CCCSc1ccccc1NC 62a_100000210303_100020606079 [0,2,0,0,0,0|2,0,0]=4 12507 B12R1.121 CCCSc1ccccc1NC 62a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 12508 B12R1.121 CCCSc1ccccc1NC 7a_100015184514_200000210301 [0,2,0,0,0,0|2,0,0]=4 12509 B12R1.121 CCCSc1ccccc1NN 62a_100000210303_100000241748 [0,2,0,0,0,0|2,0,0]=4 12510 B12R1.121 CCCSc1ccccc1NN 62a_100000241748_100000210303 [0,2,0,0,0,0|2,0,0]=4 12511 B12R1.121 CCCSc1ccccc1N[13CH3] 34a_100015184514_200025704644 [0,2,0,0,0,0|2,0,0]=4 12512 B12R1.121 CCCSc1ccccc1N[13CH3] 7a_100015184514_200025704644 [0,2,0,0,0,0|2,0,0]=4 12513 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [0,2,0,0,0,0|2,0,0]=4 12514 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [0,2,0,0,0,0|2,0,0]=4 12515 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [0,2,0,0,0,0|2,0,0]=4 12516 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [0,2,0,0,0,0|2,0,0]=4 12517 B12R1.121 CCNCc1ccccc1C#N 2230a_100015525214_100000181865 [0,2,0,0,0,0|2,0,0]=4 12518 B12R1.121 CCNCc1ccccc1C#N 34a_100016989011_100000210202 [0,2,0,0,0,0|2,0,0]=4 12519 B12R1.121 CCNCc1ccccc1C=O 2230a_100015525214_200009853537 [0,2,0,0,0,0|2,0,0]=4 12520 B12R1.121 CCNCc1ccccc1CC 207a_100015525214_100011219594 [0,2,0,0,0,0|2,0,0]=4 12521 B12R1.121 CCNCc1ccccc1CC 270004a_100015525214_100011219594 [0,2,0,0,0,0|2,0,0]=4 12522 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [0,2,0,0,0,0|2,0,0]=4 12523 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [0,2,0,0,0,0|2,0,0]=4 12524 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [0,2,0,0,0,0|2,0,0]=4 12525 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [0,2,0,0,0,0|2,0,0]=4 12526 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [0,2,0,0,0,0|2,0,0]=4 12527 B12R1.121 CCNCc1ccccc1SC 207a_100015525214_100011217347 [0,2,0,0,0,0|2,0,0]=4 12528 B12R1.121 CCNCc1ccccc1SC 2230a_100015525214_100000699184 [0,2,0,0,0,0|2,0,0]=4 12529 B12R1.121 CCNCc1ccccc1SC 270004a_100015525214_100011217347 [0,2,0,0,0,0|2,0,0]=4 12530 B12R1.121 CCNCc1ccccc1SC 34a_102495365025_100000210202 [0,2,0,0,0,0|2,0,0]=4 12531 B12R1.121 CCOCc1ccccc1C#N 34a_100121572206_100000181865 [0,2,0,0,0,0|2,0,0]=4 12532 B12R1.121 CCOCc1ccccc1C#N 34a_200011269968_100000210202 [0,2,0,0,0,0|2,0,0]=4 12533 B12R1.121 CCOCc1ccccc1C#N 7a_200011269968_100000210202 [0,2,0,0,0,0|2,0,0]=4 12534 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,2,0,0,0,0|2,0,0]=4 12535 B12R1.121 CCOCc1ccccc1CBr 34a_100009816955_100000210202 [0,2,0,0,0,0|2,0,0]=4 12536 B12R1.121 CCOCc1ccccc1CBr 7a_100009816955_100000210202 [0,2,0,0,0,0|2,0,0]=4 12537 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [0,2,0,0,0,0|2,0,0]=4 12538 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [0,2,0,0,0,0|2,0,0]=4 12539 B12R1.121 CCOCc1ccccc1CN 34a_100000743596_100000210202 [0,2,0,0,0,0|2,0,0]=4 12540 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,2,0,0,0,0|2,0,0]=4 12541 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,2,0,0,0,0|2,0,0]=4 12542 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,2,0,0,0,0|2,0,0]=4 12543 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,2,0,0,0,0|2,0,0]=4 12544 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,2,0,0,0,0|2,0,0]=4 12545 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,2,0,0,0,0|2,0,0]=4 12546 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,2,0,0,0,0|2,0,0]=4 12547 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,2,0,0,0,0|2,0,0]=4 12548 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,2,0,0,0,0|2,0,0]=4 12549 B12R1.121 CCSCc1ccccc1C#N 62a_100000186380_100000210202 [0,2,0,0,0,0|2,0,0]=4 12550 B12R1.121 CCSCc1ccccc1C#N 62a_100000210202_100000181865 [0,2,0,0,0,0|2,0,0]=4 12551 B12R1.121 CCSCc1ccccc1C=O 62a_100000210202_200009853537 [0,2,0,0,0,0|2,0,0]=4 12552 B12R1.121 CCSCc1ccccc1C=O 62a_200009853537_100000210202 [0,2,0,0,0,0|2,0,0]=4 12553 B12R1.121 CCSCc1ccccc1CO 62a_100000210202_100009816955 [0,2,0,0,0,0|2,0,0]=4 12554 B12R1.121 CCSCc1ccccc1CO 62a_100009816955_100000210202 [0,2,0,0,0,0|2,0,0]=4 12555 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [0,2,0,0,0,0|2,0,0]=4 12556 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [0,2,0,0,0,0|2,0,0]=4 12557 B12R1.121 CCSCc1ccccc1SC 62a_100000210202_100000699184 [0,2,0,0,0,0|2,0,0]=4 12558 B12R1.121 CCSCc1ccccc1SC 62a_100000699184_100000210202 [0,2,0,0,0,0|2,0,0]=4 12559 B12R1.121 CCSCc1ccccc1SC 62a_200000173030_200000210301 [0,2,0,0,0,0|2,0,0]=4 12560 B12R1.121 CCSCc1ccccc1SC 62a_200000210301_200000173030 [0,2,0,0,0,0|2,0,0]=4 12561 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200000173030_200025704644 [0,2,0,0,0,0|2,0,0]=4 12562 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200025704644_200000173030 [0,2,0,0,0,0|2,0,0]=4 12563 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [0,2,0,0,0,0|2,0,0]=4 12564 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [0,2,0,0,0,0|2,0,0]=4 12565 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [0,2,0,0,0,0|2,0,0]=4 12566 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [0,2,0,0,0,0|2,0,0]=4 12567 B12R1.121 CCc1ccccc1COCF 34a_100011663872_100015361967 [0,2,0,0,0,0|2,0,0]=4 12568 B12R1.121 CCc1ccccc1COCF 7a_100011663872_100015361967 [0,2,0,0,0,0|2,0,0]=4 12569 B12R1.121 CCc1ccccc1NCCF 2230a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 12570 B12R1.121 CCc1ccccc1NCCF 34a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 12571 B12R1.121 CCc1ccccc1NCCF 7a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 12572 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [0,2,0,0,0,0|1,0,0]=3 12573 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [0,2,0,0,0,0|1,0,0]=3 12574 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [0,2,0,0,0,0|1,0,0]=3 12575 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,2,0,0,0,0|2,0,0]=4 12576 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,2,0,0,0,0|2,0,0]=4 12577 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,2,0,0,0,0|1,0,0]=3 12578 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,2,0,0,0,0|1,0,0]=3 12579 B12R1.121 CCc1ccccc1SCCF 62a_100011215823_100011217306 [0,2,0,0,0,0|2,0,0]=4 12580 B12R1.121 CCc1ccccc1SCCF 62a_100011217306_100011215823 [0,2,0,0,0,0|2,0,0]=4 12581 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [0,2,0,0,0,0|1,0,0]=3 12582 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [0,2,0,0,0,0|1,0,0]=3 12583 B12R1.121 CCc1ccncc1SCCO 62a_100000211926_100009819861 [0,2,0,0,0,0|2,0,0]=4 12584 B12R1.121 CCc1ccncc1SCCO 62a_100009819861_100000211926 [0,2,0,0,0,0|2,0,0]=4 12585 B12R1.121 CCc1cnccc1SCCO 62a_100000211926_100025704421 [0,2,0,0,0,0|2,0,0]=4 12586 B12R1.121 CCc1cnccc1SCCO 62a_100025704421_100000211926 [0,2,0,0,0,0|2,0,0]=4 12587 B12R1.121 CCc1ncccc1SCCO 62a_100000211926_100009877225 [0,2,0,0,0,0|2,0,0]=4 12588 B12R1.121 CCc1ncccc1SCCO 62a_100009877225_100000211926 [0,2,0,0,0,0|2,0,0]=4 12589 B12R1.121 CNCCc1ccccc1C#N 2230a_106832991635_200013032965 [0,2,0,0,0,0|2,0,0]=4 12590 B12R1.121 CNCCc1ccccc1C#N 34a_100102657272_200013032965 [0,2,0,0,0,0|2,0,0]=4 12591 B12R1.121 CNCCc1ccccc1C#N 7a_106832991635_200013032965 [0,2,0,0,0,0|2,0,0]=4 12592 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,2,0,0,0,0|2,0,0]=4 12593 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,2,0,0,0,0|2,0,0]=4 12594 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,2,0,0,0,0|2,0,0]=4 12595 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,2,0,0,0,0|2,0,0]=4 12596 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,2,0,0,0,0|2,0,0]=4 12597 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,2,0,0,0,0|2,0,0]=4 12598 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,2,0,0,0,0|2,0,0]=4 12599 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,2,0,0,0,0|2,0,0]=4 12600 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,2,0,0,0,0|2,0,0]=4 12601 B12R1.121 CNCCc1ccccc1[Pd]Cl 2230a_106741704370_200000210301 [0,2,0,0,0,0|2,0,0]=4 12602 B12R1.121 CNCCc1ccccc1[Pd]Cl 34a_106741704370_200000210301 [0,2,0,0,0,0|2,0,0]=4 12603 B12R1.121 CNCCc1ccccc1[Pd]Cl 7a_106741704370_200000210301 [0,2,0,0,0,0|2,0,0]=4 12604 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,2,0,0,0,0|2,0,0]=4 12605 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,2,0,0,0,0|2,0,0]=4 12606 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,2,0,0,0,0|1,0,0]=3 12607 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,2,0,0,0,0|1,0,0]=3 12608 B12R1.121 CNc1ccccc1SCCF 62a_100011217306_100020606079 [0,2,0,0,0,0|2,0,0]=4 12609 B12R1.121 CNc1ccccc1SCCF 62a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 12610 B12R1.121 CNc1ccccc1SCCO 62a_100000211926_100020606079 [0,2,0,0,0,0|1,0,0]=3 12611 B12R1.121 CNc1ccccc1SCCO 62a_100020606079_100000211926 [0,2,0,0,0,0|1,0,0]=3 12612 B12R1.121 CNc1cccnc1SCCO 62a_100000211926_200011806188 [0,2,0,0,0,0|2,0,0]=4 12613 B12R1.121 CNc1ccncc1SCCO 62a_100000211926_100010069531 [0,2,0,0,0,0|2,0,0]=4 12614 B12R1.121 CNc1ccncc1SCCO 62a_100010069531_100000211926 [0,2,0,0,0,0|2,0,0]=4 12615 B12R1.121 CNc1ncccc1SCCO 62a_100000211926_100000700899 [0,2,0,0,0,0|2,0,0]=4 12616 B12R1.121 CNc1ncccc1SCCO 62a_100000700899_100000211926 [0,2,0,0,0,0|2,0,0]=4 12617 B12R1.121 COCCc1ccccc1C#N 34a_100138415774_200013032965 [0,2,0,0,0,0|2,0,0]=4 12618 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,2,0,0,0,0|2,0,0]=4 12619 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,2,0,0,0,0|2,0,0]=4 12620 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,2,0,0,0,0|2,0,0]=4 12621 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,2,0,0,0,0|2,0,0]=4 12622 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,2,0,0,0,0|2,0,0]=4 12623 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,2,0,0,0,0|2,0,0]=4 12624 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,2,0,0,0,0|2,0,0]=4 12625 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,2,0,0,0,0|2,0,0]=4 12626 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,2,0,0,0,0|2,0,0]=4 12627 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,2,0,0,0,0|2,0,0]=4 12628 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,2,0,0,0,0|2,0,0]=4 12629 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,2,0,0,0,0|2,0,0]=4 12630 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,2,0,0,0,0|2,0,0]=4 12631 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,2,0,0,0,0|2,0,0]=4 12632 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,2,0,0,0,0|2,0,0]=4 12633 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,2,0,0,0,0|2,0,0]=4 12634 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [0,2,0,0,0,0|2,0,0]=4 12635 B12R1.121 COc1ccccc1COCF 34a_100000211301_100015361967 [0,2,0,0,0,0|2,0,0]=4 12636 B12R1.121 COc1ccccc1CSCF 62a_100000210004_100015361967 [0,2,0,0,0,0|2,0,0]=4 12637 B12R1.121 COc1ccccc1CSCF 62a_100015361967_100000210004 [0,2,0,0,0,0|2,0,0]=4 12638 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [0,2,0,0,0,0|2,0,0]=4 12639 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [0,2,0,0,0,0|1,0,0]=3 12640 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,2,0,0,0,0|2,0,0]=4 12641 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,2,0,0,0,0|1,0,0]=3 12642 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,2,0,0,0,0|1,0,0]=3 12643 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,2,0,0,0,0|1,0,0]=3 12644 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [0,2,0,0,0,0|2,0,0]=4 12645 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [0,2,0,0,0,0|2,0,0]=4 12646 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [0,2,0,0,0,0|1,0,0]=3 12647 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [0,2,0,0,0,0|1,0,0]=3 12648 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [0,2,0,0,0,0|2,0,0]=4 12649 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [0,2,0,0,0,0|2,0,0]=4 12650 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [0,2,0,0,0,0|2,0,0]=4 12651 B12R1.121 COc1ccncc1OCCO 34a_100000101186_100000211926 [0,2,0,0,0,0|2,0,0]=4 12652 B12R1.121 COc1ccncc1SCCO 62a_100000211926_100011997281 [0,2,0,0,0,0|2,0,0]=4 12653 B12R1.121 COc1ccncc1SCCO 62a_100011997281_100000211926 [0,2,0,0,0,0|2,0,0]=4 12654 B12R1.121 COc1cnccc1SCCO 62a_100000211926_100016988167 [0,2,0,0,0,0|2,0,0]=4 12655 B12R1.121 COc1cnccc1SCCO 62a_100016988167_100000211926 [0,2,0,0,0,0|2,0,0]=4 12656 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [0,2,0,0,0,0|2,0,0]=4 12657 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [0,2,0,0,0,0|2,0,0]=4 12658 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [0,2,0,0,0,0|2,0,0]=4 12659 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [0,2,0,0,0,0|2,0,0]=4 12660 B12R1.121 CSCCc1ccccc1C#N 62a_200000210301_200013032965 [0,2,0,0,0,0|2,0,0]=4 12661 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,2,0,0,0,0|2,0,0]=4 12662 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,2,0,0,0,0|2,0,0]=4 12663 B12R1.121 CSc1ccccc1C#CCO 62a_100009814404_200000210301 [0,2,0,0,0,0|0,0,2]=4 12664 B12R1.121 CSc1ccccc1C#CCO 62a_200000210301_100009814404 [0,2,0,0,0,0|0,0,2]=4 12665 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|0,0,2]=4 12666 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|0,0,2]=4 12667 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,2,0,0,0,0|0,0,0]=2 12668 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,2,0,0,0,0|0,0,0]=2 12669 B12R1.121 CSc1ccccc1CNCF 34a_102495365025_100015361967 [0,2,0,0,0,0|2,0,0]=4 12670 B12R1.121 CSc1ccccc1COCF 34a_100000699167_100015361967 [0,2,0,0,0,0|2,0,0]=4 12671 B12R1.121 CSc1ccccc1CSCF 62a_100000699184_100015361967 [0,2,0,0,0,0|2,0,0]=4 12672 B12R1.121 CSc1ccccc1CSCF 62a_100015361967_100000699184 [0,2,0,0,0,0|2,0,0]=4 12673 B12R1.121 CSc1ccccc1NCCF 34a_100000211160_100011217306 [0,2,0,0,0,0|2,0,0]=4 12674 B12R1.121 CSc1ccccc1NCCO 34a_100000211160_100000211926 [0,2,0,0,0,0|1,0,0]=3 12675 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,2,0,0,0,0|2,0,0]=4 12676 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|2,0,0]=4 12677 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|2,0,0]=4 12678 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,2,0,0,0,0|1,0,0]=3 12679 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,2,0,0,0,0|1,0,0]=3 12680 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,2,0,0,0,0|1,0,0]=3 12681 B12R1.121 CSc1ccccc1SCCF 62a_100011217306_100011217816 [0,2,0,0,0,0|2,0,0]=4 12682 B12R1.121 CSc1ccccc1SCCF 62a_100011217816_100011217306 [0,2,0,0,0,0|2,0,0]=4 12683 B12R1.121 CSc1ccccc1SCCO 62a_100000211926_100011217816 [0,2,0,0,0,0|1,0,0]=3 12684 B12R1.121 CSc1ccccc1SCCO 62a_100011217816_100000211926 [0,2,0,0,0,0|1,0,0]=3 12685 B12R1.121 CSc1ccccc1SCCO 62a_200000210301_200000230852 [0,2,0,0,0,0|1,0,0]=3 12686 B12R1.121 CSc1ccccc1SCCO 62a_200000230852_200000210301 [0,2,0,0,0,0|1,0,0]=3 12687 B12R1.121 CSc1cccnc1NCCO 62a_200000210301_200011464885 [0,2,0,0,0,0|2,0,0]=4 12688 B12R1.121 CSc1cccnc1NCCO 62a_200011464885_200000210301 [0,2,0,0,0,0|2,0,0]=4 12689 B12R1.121 CSc1ncccc1SCCO 62a_100000211926_100011465278 [0,2,0,0,0,0|2,0,0]=4 12690 B12R1.121 CSc1ncccc1SCCO 62a_100011465278_100000211926 [0,2,0,0,0,0|2,0,0]=4 12691 B12R1.121 FCOCc1ccccc1CBr 34a_100009816955_100015361967 [0,2,0,0,0,0|2,0,0]=4 12692 B12R1.121 FCOCc1ccccc1CBr 7a_100009816955_100015361967 [0,2,0,0,0,0|2,0,0]=4 12693 B12R1.121 N#Cc1ccccc1CNCF 34a_100016989011_100015361967 [0,2,0,0,0,0|2,0,0]=4 12694 B12R1.121 N#Cc1ccccc1COCF 34a_200011269968_100015361967 [0,2,0,0,0,0|2,0,0]=4 12695 B12R1.121 N#Cc1ccccc1COCF 7a_200011269968_100015361967 [0,2,0,0,0,0|2,0,0]=4 12696 B12R1.121 N#Cc1ccccc1CSCF 62a_100000186380_100015361967 [0,2,0,0,0,0|2,0,0]=4 12697 B12R1.121 N#Cc1ccccc1CSCF 62a_100015361967_100000181865 [0,2,0,0,0,0|2,0,0]=4 12698 B12R1.121 N#Cc1ccccc1NCCF 34a_100000211148_100011217306 [0,2,0,0,0,0|2,0,0]=4 12699 B12R1.121 N#Cc1ccccc1NCCO 34a_100000211148_100000211926 [0,2,0,0,0,0|1,0,0]=3 12700 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [0,2,0,0,0,0|2,0,0]=4 12701 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [0,2,0,0,0,0|2,0,0]=4 12702 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [0,2,0,0,0,0|1,0,0]=3 12703 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [0,2,0,0,0,0|1,0,0]=3 12704 B12R1.121 N#Cc1ccccc1SCCF 62a_100011217306_100000188569 [0,2,0,0,0,0|2,0,0]=4 12705 B12R1.121 N#Cc1ccccc1SCCO 62a_100000211926_100000188569 [0,2,0,0,0,0|1,0,0]=3 12706 B12R1.121 N#Cc1cccnc1NCCO 27a_100000210304_100000211984 [0,2,0,0,0,0|2,0,0]=4 12707 B12R1.121 N#Cc1cccnc1SCCO 62a_100000211926_100000211984 [0,2,0,0,0,0|2,0,0]=4 12708 B12R1.121 N#Cc1ccncc1NCCO 27a_100000210304_100000684818 [0,2,0,0,0,0|2,0,0]=4 12709 B12R1.121 N#Cc1ccncc1OCCO 7a_100012181322_100000211926 [0,2,0,0,0,0|2,0,0]=4 12710 B12R1.121 N#Cc1ccncc1SCCO 62a_100000211926_100000684818 [0,2,0,0,0,0|2,0,0]=4 12711 B12R1.121 N#Cc1cnccc1NCCO 27a_100000210304_100000687039 [0,2,0,0,0,0|2,0,0]=4 12712 B12R1.121 N#Cc1cnccc1SCCO 62a_100000211926_100000687039 [0,2,0,0,0,0|2,0,0]=4 12713 B12R1.121 N#Cc1ncccc1OCCO 34a_100000722750_100000211926 [0,2,0,0,0,0|2,0,0]=4 12714 B12R1.121 N#Cc1ncccc1OCCO 7a_100000722750_100000211926 [0,2,0,0,0,0|2,0,0]=4 12715 B12R1.121 N#Cc1ncccc1SCCO 62a_100000211926_100000685805 [0,2,0,0,0,0|2,0,0]=4 12716 B12R1.121 NCc1ccccc1COCF 34a_100000743596_100015361967 [0,2,0,0,0,0|2,0,0]=4 12717 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|2,0,0]=4 12718 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,2,0,0,0,0|1,0,0]=3 12719 B12R1.121 NCc1ccccc1SCCF 62a_100000689332_100011217306 [0,2,0,0,0,0|2,0,0]=4 12720 B12R1.121 NCc1ccccc1SCCF 62a_100011217306_100000689332 [0,2,0,0,0,0|2,0,0]=4 12721 B12R1.121 NCc1ccccc1SCCO 62a_100000211926_100000689332 [0,2,0,0,0,0|1,0,0]=3 12722 B12R1.121 NCc1ccccc1SCCO 62a_100000689332_100000211926 [0,2,0,0,0,0|1,0,0]=3 12723 B12R1.121 NCc1cccnc1SCCO 62a_100000211926_100015189234 [0,2,0,0,0,0|2,0,0]=4 12724 B12R1.121 NCc1cccnc1SCCO 62a_100015189234_100000211926 [0,2,0,0,0,0|2,0,0]=4 12725 B12R1.121 NCc1ccncc1SCCO 62a_100000211926_100020640021 [0,2,0,0,0,0|2,0,0]=4 12726 B12R1.121 NCc1ccncc1SCCO 62a_100020640021_100000211926 [0,2,0,0,0,0|2,0,0]=4 12727 B12R1.121 NCc1ncccc1SCCO 62a_100000211926_100020591323 [0,2,0,0,0,0|2,0,0]=4 12728 B12R1.121 NCc1ncccc1SCCO 62a_100020591323_100000211926 [0,2,0,0,0,0|2,0,0]=4 12729 B12R1.121 NNc1ccccc1SCCF 62a_100000241748_100011217306 [0,2,0,0,0,0|2,0,0]=4 12730 B12R1.121 NNc1ccccc1SCCF 62a_100011217306_100000241748 [0,2,0,0,0,0|2,0,0]=4 12731 B12R1.121 NNc1ccccc1SCCO 62a_100000211926_100000241748 [0,2,0,0,0,0|1,0,0]=3 12732 B12R1.121 NNc1ccccc1SCCO 62a_100000241748_100000211926 [0,2,0,0,0,0|1,0,0]=3 12733 B12R1.121 NNc1ccncc1SCCO 62a_100000211926_100013404636 [0,2,0,0,0,0|2,0,0]=4 12734 B12R1.121 NNc1ccncc1SCCO 62a_100013404636_100000211926 [0,2,0,0,0,0|2,0,0]=4 12735 B12R1.121 NNc1ncccc1SCCO 62a_100000211926_100011464834 [0,2,0,0,0,0|2,0,0]=4 12736 B12R1.121 NNc1ncccc1SCCO 62a_100011464834_100000211926 [0,2,0,0,0,0|2,0,0]=4 12737 B12R1.121 O=Cc1ccccc1CSCF 62a_100015361967_200009853537 [0,2,0,0,0,0|2,0,0]=4 12738 B12R1.121 O=Cc1ccccc1CSCF 62a_200009853537_100015361967 [0,2,0,0,0,0|2,0,0]=4 12739 B12R1.121 O=Cc1ccccc1SCCF 62a_100000210073_100011217306 [0,2,0,0,0,0|2,0,0]=4 12740 B12R1.121 O=Cc1ccccc1SCCF 62a_100011217306_100000210073 [0,2,0,0,0,0|2,0,0]=4 12741 B12R1.121 O=Cc1ccccc1SCCO 62a_100000210073_100000211926 [0,2,0,0,0,0|1,0,0]=3 12742 B12R1.121 O=Cc1ccccc1SCCO 62a_100000211926_100000210073 [0,2,0,0,0,0|1,0,0]=3 12743 B12R1.121 O=Cc1cccnc1SCCO 62a_100000211926_100009816751 [0,2,0,0,0,0|2,0,0]=4 12744 B12R1.121 O=Cc1cccnc1SCCO 62a_100009816751_100000211926 [0,2,0,0,0,0|2,0,0]=4 12745 B12R1.121 O=Cc1ccncc1SCCO 62a_100000211926_100011934409 [0,2,0,0,0,0|2,0,0]=4 12746 B12R1.121 O=Cc1ccncc1SCCO 62a_100011934409_100000211926 [0,2,0,0,0,0|2,0,0]=4 12747 B12R1.121 O=Cc1cnccc1SCCO 62a_100000050567_100000211926 [0,2,0,0,0,0|2,0,0]=4 12748 B12R1.121 O=Cc1cnccc1SCCO 62a_100000211926_100000050567 [0,2,0,0,0,0|2,0,0]=4 12749 B12R1.121 O=Cc1ncccc1SCCO 62a_100000211926_100011934733 [0,2,0,0,0,0|2,0,0]=4 12750 B12R1.121 O=Cc1ncccc1SCCO 62a_100011934733_100000211926 [0,2,0,0,0,0|2,0,0]=4 12751 B12R1.121 OCCNc1ccccc1CO 34a_100000212039_100000211926 [0,2,0,0,0,0|1,0,0]=3 12752 B12R1.121 OCCNc1ccncc1CO 27a_100000210304_100000117392 [0,2,0,0,0,0|2,0,0]=4 12753 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,2,0,0,0,0|1,0,0]=3 12754 B12R1.121 OCCOc1cccnc1CBr 34a_200020655725_100000211926 [0,2,0,0,0,0|2,0,0]=4 12755 B12R1.121 OCCOc1cccnc1CBr 7a_200020655725_100000211926 [0,2,0,0,0,0|2,0,0]=4 12756 B12R1.121 OCCOc1cccnc1CO 34a_100000731849_100000211926 [0,2,0,0,0,0|2,0,0]=4 12757 B12R1.121 OCCOc1cnccc1CO 34a_100000078615_100000211926 [0,2,0,0,0,0|2,0,0]=4 12758 B12R1.121 OCCSc1ccccc1CO 62a_100000187465_100000211926 [0,2,0,0,0,0|1,0,0]=3 12759 B12R1.121 OCCSc1ccccc1CO 62a_100000211926_100000187465 [0,2,0,0,0,0|1,0,0]=3 12760 B12R1.121 OCCSc1cccnc1CO 62a_100000211926_100011996772 [0,2,0,0,0,0|2,0,0]=4 12761 B12R1.121 OCCSc1cccnc1CO 62a_100011996772_100000211926 [0,2,0,0,0,0|2,0,0]=4 12762 B12R1.121 OCCSc1ccncc1CO 62a_100000117392_100000211926 [0,2,0,0,0,0|2,0,0]=4 12763 B12R1.121 OCCSc1ccncc1CO 62a_100000211926_100000117392 [0,2,0,0,0,0|2,0,0]=4 12764 B12R1.121 OCCSc1cnccc1CO 62a_100000211926_100009873359 [0,2,0,0,0,0|2,0,0]=4 12765 B12R1.121 OCCSc1cnccc1CO 62a_100009873359_100000211926 [0,2,0,0,0,0|2,0,0]=4 12766 B12R1.121 OCCSc1ncccc1CO 62a_100000211926_100000748726 [0,2,0,0,0,0|2,0,0]=4 12767 B12R1.121 OCCSc1ncccc1CO 62a_100000748726_100000211926 [0,2,0,0,0,0|2,0,0]=4 12768 B12R1.121 OCc1ccccc1CSCF 62a_100009816955_100015361967 [0,2,0,0,0,0|2,0,0]=4 12769 B12R1.121 OCc1ccccc1CSCF 62a_100015361967_100009816955 [0,2,0,0,0,0|2,0,0]=4 12770 B12R1.121 OCc1ccccc1NCCF 34a_100000212039_100011217306 [0,2,0,0,0,0|2,0,0]=4 12771 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,2,0,0,0,0|2,0,0]=4 12772 B12R1.121 OCc1ccccc1SCCF 62a_100000187465_100011217306 [0,2,0,0,0,0|2,0,0]=4 12773 B12R1.121 OCc1ccccc1SCCF 62a_100011217306_100000187465 [0,2,0,0,0,0|2,0,0]=4 12774 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 2230a_106741704370_200025704644 [0,2,0,0,0,0|2,0,0]=4 12775 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 34a_106741704370_200025704644 [0,2,0,0,0,0|2,0,0]=4 12776 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 7a_106741704370_200025704644 [0,2,0,0,0,0|2,0,0]=4 12777 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,2,0,0,0,0|2,0,0]=4 12778 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,2,0,0,0,0|1,0,0]=3 12779 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,2,0,0,0,0|1,0,0]=3 12780 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,2,0,0,0,0|1,0,0]=3 12781 B12R1.121 [13CH3]SCCc1ccccc1C#N 62a_200025704644_200013032965 [0,2,0,0,0,0|2,0,0]=4 12782 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,2,0,0,0,0|2,0,0]=4 12783 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,2,0,0,0,0|2,0,0]=4 12784 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_100009814404_200025704644 [0,2,0,0,0,0|0,0,2]=4 12785 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_200025704644_100009814404 [0,2,0,0,0,0|0,0,2]=4 12786 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|0,0,2]=4 12787 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|0,0,2]=4 12788 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,2,0,0,0,0|0,0,0]=2 12789 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,2,0,0,0,0|0,0,0]=2 12790 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|2,0,0]=4 12791 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|2,0,0]=4 12792 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,2,0,0,0,0|1,0,0]=3 12793 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,2,0,0,0,0|1,0,0]=3 12794 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200000230852_200025704644 [0,2,0,0,0,0|1,0,0]=3 12795 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200025704644_200000230852 [0,2,0,0,0,0|1,0,0]=3 12796 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200011464885_200025704644 [0,2,0,0,0,0|2,0,0]=4 12797 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200025704644_200011464885 [0,2,0,0,0,0|2,0,0]=4 12798 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,2,0,0,0,0|0,0,2]=4 12799 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,2,0,0,0,0|0,0,2]=4 12800 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,2,0,0,0,0|0,0,2]=4 12801 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,2,0,0,0,0|0,0,2]=4 12802 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,2,0,0,0,0|0,0,2]=4 12803 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,2,0,0,0,0|0,0,2]=4 12804 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,2,0,0,0,0|0,0,2]=4 12805 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,2,0,0,0,0|0,0,2]=4 12806 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,2,0,0,0,0|0,0,2]=4 12807 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,2,0,0,0,0|0,0,2]=4 12808 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,2,0,0,0,0|0,0,2]=4 12809 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,2,0,0,0,0|2,0,0]=4 12810 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,2,0,0,0,0|2,0,0]=4 12811 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,2,0,0,0,0|2,0,0]=4 12812 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,2,0,0,0,0|2,0,0]=4 12813 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,2,0,0,0,0|2,0,0]=4 12814 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,2,0,0,0,0|2,0,0]=4 12815 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,2,0,0,0,0|2,0,0]=4 12816 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,2,0,0,0,0|2,0,0]=4 12817 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,2,0,0,0,0|2,0,0]=4 12818 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,2,0,0,0,0|2,0,0]=4 12819 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,2,0,0,0,0|2,0,0]=4 12820 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,2,0,0,0,0|2,0,0]=4 12821 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,2,0,0,0,0|2,0,0]=4 12822 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,2,0,0,0,0|2,0,0]=4 12823 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,2,0,0,0,0|2,0,0]=4 12824 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [0,2,0,0,0,0|2,0,0]=4 12825 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [0,2,0,0,0,0|2,0,0]=4 12826 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [0,2,0,0,0,0|2,0,0]=4 12827 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [0,2,0,0,0,0|2,0,0]=4 12828 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [0,2,0,0,0,0|2,0,0]=4 12829 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [0,2,0,0,0,0|2,0,0]=4 12830 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [0,2,0,0,0,0|2,0,0]=4 12831 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [0,2,0,0,0,0|2,0,0]=4 12832 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,2,0,0,0,0|2,0,0]=4 12833 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,2,0,0,0,0|2,0,0]=4 12834 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,2,0,0,0,0|2,0,0]=4 12835 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,2,0,0,0,0|2,0,0]=4 12836 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,2,0,0,0,0|2,0,0]=4 12837 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,2,0,0,0,0|2,0,0]=4 12838 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,2,0,0,0,0|2,0,0]=4 12839 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,2,0,0,0,0|2,0,0]=4 12840 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,2,0,0,0,0|2,0,0]=4 12841 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,2,0,0,0,0|2,0,0]=4 12842 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,2,0,0,0,0|2,0,0]=4 12843 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,2,0,0,0,0|2,0,0]=4 12844 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,2,0,0,0,0|2,0,0]=4 12845 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,2,0,0,0,0|2,0,0]=4 12846 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,2,0,0,0,0|2,0,0]=4 12847 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,2,0,0,0,0|2,0,0]=4 12848 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,2,0,0,0,0|2,0,0]=4 12849 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,2,0,0,0,0|2,0,0]=4 12850 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,2,0,0,0,0|2,0,0]=4 12851 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,2,0,0,0,0|2,0,0]=4 12852 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,2,0,0,0,0|2,0,0]=4 12853 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,2,0,0,0,0|2,0,0]=4 12854 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,2,0,0,0,0|2,0,0]=4 12855 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,2,0,0,0,0|2,0,0]=4 12856 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,2,0,0,0,0|2,0,0]=4 12857 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,2,0,0,0,0|2,0,0]=4 12858 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,2,0,0,0,0|2,0,0]=4 12859 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,2,0,0,0,0|2,0,0]=4 12860 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,2,0,0,0,0|2,0,0]=4 12861 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,2,0,0,0,0|2,0,0]=4 12862 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,2,0,0,0,0|2,0,0]=4 12863 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,2,0,0,0,0|2,0,0]=4 12864 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,2,0,0,0,0|2,0,0]=4 12865 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,2,0,0,0,0|2,0,0]=4 12866 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [0,2,0,0,0,0|2,0,0]=4 12867 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [0,2,0,0,0,0|2,0,0]=4 12868 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [0,2,0,0,0,0|2,0,0]=4 12869 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [0,2,0,0,0,0|2,0,0]=4 12870 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [0,2,0,0,0,0|2,0,0]=4 12871 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [0,2,0,0,0,0|2,0,0]=4 12872 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [0,2,0,0,0,0|2,0,0]=4 12873 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [0,2,0,0,0,0|2,0,0]=4 12874 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,2,0,0,0,0|2,0,0]=4 12875 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,2,0,0,0,0|0,0,2]=4 12876 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,2,0,0,0,0|0,0,2]=4 12877 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,2,0,0,0,0|0,0,2]=4 12878 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,2,0,0,0,0|0,0,2]=4 12879 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,2,0,0,0,0|0,0,2]=4 12880 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,2,0,0,0,0|1,0,0]=3 12881 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,2,0,0,0,0|1,0,0]=3 12882 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,2,0,0,0,0|1,0,0]=3 12883 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,2,0,0,0,0|1,0,0]=3 12884 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,2,0,0,0,0|1,0,0]=3 12885 B12R1.125 CC(O)CNc1ccncc1Br 27a_100000210904_100000726257 [0,2,0,0,0,0|2,0,0]=4 12886 B12R1.125 CC(O)CNc1ccncc1F 27a_100000210904_100000035921 [0,2,0,0,0,0|2,0,0]=4 12887 B12R1.125 CC(O)CNc1ncccc1Br 27a_100000210904_100000696092 [0,2,0,0,0,0|2,0,0]=4 12888 B12R1.125 CC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218427 [0,2,0,0,0,0|2,0,0]=4 12889 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,2,0,0,0,0|1,0,0]=3 12890 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,2,0,0,0,0|1,0,0]=3 12891 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,2,0,0,0,0|1,0,0]=3 12892 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,2,0,0,0,0|1,0,0]=3 12893 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,2,0,0,0,0|1,0,0]=3 12894 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,2,0,0,0,0|1,0,0]=3 12895 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,2,0,0,0,0|1,0,0]=3 12896 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,2,0,0,0,0|1,0,0]=3 12897 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,2,0,0,0,0|1,0,0]=3 12898 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,2,0,0,0,0|1,0,0]=3 12899 B12R1.125 CC(O)COc1cccnc1Br 34a_100000744436_100011218427 [0,2,0,0,0,0|2,0,0]=4 12900 B12R1.125 CC(O)COc1cccnc1Br 7a_100000744436_100011218427 [0,2,0,0,0,0|2,0,0]=4 12901 B12R1.125 CC(O)COc1cccnc1Cl 34a_100000757616_100011218427 [0,2,0,0,0,0|2,0,0]=4 12902 B12R1.125 CC(O)COc1cccnc1Cl 7a_100000757616_100011218427 [0,2,0,0,0,0|2,0,0]=4 12903 B12R1.125 CC(O)COc1cccnc1F 34a_100000061740_100011218427 [0,2,0,0,0,0|2,0,0]=4 12904 B12R1.125 CC(O)COc1cccnc1F 7a_100000061740_100011218427 [0,2,0,0,0,0|2,0,0]=4 12905 B12R1.125 CC(O)COc1cccnc1I 34a_100000034122_100011218427 [0,2,0,0,0,0|2,0,0]=4 12906 B12R1.125 CC(O)COc1cccnc1I 7a_100000034122_100011218427 [0,2,0,0,0,0|2,0,0]=4 12907 B12R1.125 CC(O)COc1cccnc1N 34a_100000211975_100011218427 [0,2,0,0,0,0|2,0,0]=4 12908 B12R1.125 CC(O)COc1cccnc1N 7a_100000211975_100011218427 [0,2,0,0,0,0|2,0,0]=4 12909 B12R1.125 CC(O)COc1cccoc1=O 34a_100000077404_100011218427 [0,2,0,0,0,0|2,0,0]=4 12910 B12R1.125 CC(O)COc1cccoc1=O 7a_100000077404_100011218427 [0,2,0,0,0,0|2,0,0]=4 12911 B12R1.125 CC(O)COc1ccncc1Br 34a_100011996408_100011218427 [0,2,0,0,0,0|2,0,0]=4 12912 B12R1.125 CC(O)COc1ccncc1Cl 34a_100011997054_100011218427 [0,2,0,0,0,0|2,0,0]=4 12913 B12R1.125 CC(O)COc1ccncc1F 34a_200000081243_100011218427 [0,2,0,0,0,0|2,0,0]=4 12914 B12R1.125 CC(O)COc1cnccc1Cl 34a_100011996695_100011218427 [0,2,0,0,0,0|2,0,0]=4 12915 B12R1.125 CC(O)COc1cnccc1I 34a_100000050107_100011218427 [0,2,0,0,0,0|2,0,0]=4 12916 B12R1.125 CC(O)COc1cnccc1N 34a_100000753702_100011218427 [0,2,0,0,0,0|2,0,0]=4 12917 B12R1.125 CC(O)COc1coccc1=O 34a_100000060831_100011218427 [0,2,0,0,0,0|2,0,0]=4 12918 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,2,0,0,0,0|2,0,0]=4 12919 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,2,0,0,0,0|2,0,0]=4 12920 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,2,0,0,0,0|2,0,0]=4 12921 B12R1.125 CC(O)CSc1c[nH]ccc1=O 62a_100009998708_100011218427 [0,2,0,0,0,0|2,0,0]=4 12922 B12R1.125 CC(O)CSc1c[nH]ccc1=O 62a_100011218427_100009998708 [0,2,0,0,0,0|2,0,0]=4 12923 B12R1.125 CC(O)CSc1c[nH]ccc1=S 62a_100011218427_200012280681 [0,2,0,0,0,0|2,0,0]=4 12924 B12R1.125 CC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011218427 [0,2,0,0,0,0|2,0,0]=4 12925 B12R1.125 CC(O)CSc1cccc[n+]1C 62a_100011218427_100000212160 [0,2,0,0,0,0|2,0,0]=4 12926 B12R1.125 CC(O)CSc1cccc[n+]1[O-] 62a_100011218427_200000042595 [0,2,0,0,0,0|2,0,0]=4 12927 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,2,0,0,0,0|1,0,0]=3 12928 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,2,0,0,0,0|1,0,0]=3 12929 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,2,0,0,0,0|1,0,0]=3 12930 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,2,0,0,0,0|1,0,0]=3 12931 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,2,0,0,0,0|1,0,0]=3 12932 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,2,0,0,0,0|1,0,0]=3 12933 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,2,0,0,0,0|1,0,0]=3 12934 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,2,0,0,0,0|1,0,0]=3 12935 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,2,0,0,0,0|1,0,0]=3 12936 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,2,0,0,0,0|1,0,0]=3 12937 B12R1.125 CC(O)CSc1cccnc1Br 62a_100010202626_100011218427 [0,2,0,0,0,0|2,0,0]=4 12938 B12R1.125 CC(O)CSc1cccnc1Br 62a_100011218427_100010202626 [0,2,0,0,0,0|2,0,0]=4 12939 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100000036424_100011218427 [0,2,0,0,0,0|2,0,0]=4 12940 B12R1.125 CC(O)CSc1cccnc1Cl 62a_100011218427_100000036424 [0,2,0,0,0,0|2,0,0]=4 12941 B12R1.125 CC(O)CSc1cccnc1F 62a_100009816115_100011218427 [0,2,0,0,0,0|2,0,0]=4 12942 B12R1.125 CC(O)CSc1cccnc1F 62a_100011218427_100009816115 [0,2,0,0,0,0|2,0,0]=4 12943 B12R1.125 CC(O)CSc1cccnc1N 62a_100000045569_100011218427 [0,2,0,0,0,0|2,0,0]=4 12944 B12R1.125 CC(O)CSc1cccnc1N 62a_100011218427_100000045569 [0,2,0,0,0,0|2,0,0]=4 12945 B12R1.125 CC(O)CSc1cccnc1O 62a_100000760158_100011218427 [0,2,0,0,0,0|2,0,0]=4 12946 B12R1.125 CC(O)CSc1cccnc1O 62a_100011218427_100000760158 [0,2,0,0,0,0|2,0,0]=4 12947 B12R1.125 CC(O)CSc1ccncc1Br 62a_100000726257_100011218427 [0,2,0,0,0,0|2,0,0]=4 12948 B12R1.125 CC(O)CSc1ccncc1Br 62a_100011218427_100000726257 [0,2,0,0,0,0|2,0,0]=4 12949 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100000708259_100011218427 [0,2,0,0,0,0|2,0,0]=4 12950 B12R1.125 CC(O)CSc1ccncc1Cl 62a_100011218427_100000708259 [0,2,0,0,0,0|2,0,0]=4 12951 B12R1.125 CC(O)CSc1ccncc1F 62a_100000047030_100011218427 [0,2,0,0,0,0|2,0,0]=4 12952 B12R1.125 CC(O)CSc1ccncc1F 62a_100011218427_100000047030 [0,2,0,0,0,0|2,0,0]=4 12953 B12R1.125 CC(O)CSc1ccncc1N 62a_100000756074_100011218427 [0,2,0,0,0,0|2,0,0]=4 12954 B12R1.125 CC(O)CSc1ccncc1N 62a_100011218427_100000756074 [0,2,0,0,0,0|2,0,0]=4 12955 B12R1.125 CC(O)CSc1ccncc1O 62a_100009817591_100011218427 [0,2,0,0,0,0|2,0,0]=4 12956 B12R1.125 CC(O)CSc1ccncc1O 62a_100011218427_100009817591 [0,2,0,0,0,0|2,0,0]=4 12957 B12R1.125 CC(O)CSc1cnccc1Br 62a_100010138639_100011218427 [0,2,0,0,0,0|2,0,0]=4 12958 B12R1.125 CC(O)CSc1cnccc1Br 62a_100011218427_100010138639 [0,2,0,0,0,0|2,0,0]=4 12959 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100009995489_100011218427 [0,2,0,0,0,0|2,0,0]=4 12960 B12R1.125 CC(O)CSc1cnccc1Cl 62a_100011218427_100009995489 [0,2,0,0,0,0|2,0,0]=4 12961 B12R1.125 CC(O)CSc1cnccc1F 62a_100009820683_100011218427 [0,2,0,0,0,0|2,0,0]=4 12962 B12R1.125 CC(O)CSc1cnccc1F 62a_100011218427_100009820683 [0,2,0,0,0,0|2,0,0]=4 12963 B12R1.125 CC(O)CSc1cnccc1N 62a_100000047001_100011218427 [0,2,0,0,0,0|2,0,0]=4 12964 B12R1.125 CC(O)CSc1cnccc1N 62a_100011218427_100000047001 [0,2,0,0,0,0|2,0,0]=4 12965 B12R1.125 CC(O)CSc1ncccc1Br 62a_100000696092_100011218427 [0,2,0,0,0,0|2,0,0]=4 12966 B12R1.125 CC(O)CSc1ncccc1Br 62a_100011218427_100000696092 [0,2,0,0,0,0|2,0,0]=4 12967 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011218427_100011356963 [0,2,0,0,0,0|2,0,0]=4 12968 B12R1.125 CC(O)CSc1ncccc1Cl 62a_100011356963_100011218427 [0,2,0,0,0,0|2,0,0]=4 12969 B12R1.125 CC(O)CSc1ncccc1F 62a_100000685392_100011218427 [0,2,0,0,0,0|2,0,0]=4 12970 B12R1.125 CC(O)CSc1ncccc1F 62a_100011218427_100000685392 [0,2,0,0,0,0|2,0,0]=4 12971 B12R1.125 CC(O)CSc1ncccc1N 62a_100000688686_100011218427 [0,2,0,0,0,0|2,0,0]=4 12972 B12R1.125 CC(O)CSc1ncccc1N 62a_100011218427_100000688686 [0,2,0,0,0,0|2,0,0]=4 12973 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,2,0,0,0,0|2,0,0]=4 12974 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,2,0,0,0,0|2,0,0]=4 12975 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [0,2,0,0,0,0|2,0,0]=4 12976 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [0,2,0,0,0,0|2,0,0]=4 12977 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [0,2,0,0,0,0|2,0,0]=4 12978 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [0,2,0,0,0,0|2,0,0]=4 12979 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [0,2,0,0,0,0|2,0,0]=4 12980 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [0,2,0,0,0,0|2,0,0]=4 12981 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [0,2,0,0,0,0|2,0,0]=4 12982 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [0,2,0,0,0,0|2,0,0]=4 12983 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [0,2,0,0,0,0|2,0,0]=4 12984 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [0,2,0,0,0,0|2,0,0]=4 12985 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,2,0,0,0,0|2,0,0]=4 12986 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [0,2,0,0,0,0|2,0,0]=4 12987 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [0,2,0,0,0,0|2,0,0]=4 12988 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [0,2,0,0,0,0|2,0,0]=4 12989 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,2,0,0,0,0|1,0,0]=3 12990 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,2,0,0,0,0|1,0,0]=3 12991 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,2,0,0,0,0|1,0,0]=3 12992 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,2,0,0,0,0|1,0,0]=3 12993 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,2,0,0,0,0|1,0,0]=3 12994 B12R1.125 C[C@@H](O)COc1cccc[n+]1[O-] 7a_100000211761_100009817552 [0,2,0,0,0,0|2,0,0]=4 12995 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,2,0,0,0,0|1,0,0]=3 12996 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,2,0,0,0,0|1,0,0]=3 12997 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,2,0,0,0,0|1,0,0]=3 12998 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,2,0,0,0,0|1,0,0]=3 12999 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,2,0,0,0,0|1,0,0]=3 13000 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,2,0,0,0,0|1,0,0]=3 13001 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,2,0,0,0,0|1,0,0]=3 13002 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,2,0,0,0,0|1,0,0]=3 13003 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,2,0,0,0,0|1,0,0]=3 13004 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,2,0,0,0,0|1,0,0]=3 13005 B12R1.125 C[C@@H](O)COc1cccnc1Br 34a_100000744436_100009817552 [0,2,0,0,0,0|2,0,0]=4 13006 B12R1.125 C[C@@H](O)COc1cccnc1Br 7a_100000744436_100009817552 [0,2,0,0,0,0|2,0,0]=4 13007 B12R1.125 C[C@@H](O)COc1cccnc1Cl 34a_100000757616_100009817552 [0,2,0,0,0,0|2,0,0]=4 13008 B12R1.125 C[C@@H](O)COc1cccnc1Cl 7a_100000757616_100009817552 [0,2,0,0,0,0|2,0,0]=4 13009 B12R1.125 C[C@@H](O)COc1cccnc1F 34a_100000061740_100009817552 [0,2,0,0,0,0|2,0,0]=4 13010 B12R1.125 C[C@@H](O)COc1cccnc1F 7a_100000061740_100009817552 [0,2,0,0,0,0|2,0,0]=4 13011 B12R1.125 C[C@@H](O)COc1cccnc1I 34a_100000034122_100009817552 [0,2,0,0,0,0|2,0,0]=4 13012 B12R1.125 C[C@@H](O)COc1cccnc1I 7a_100000034122_100009817552 [0,2,0,0,0,0|2,0,0]=4 13013 B12R1.125 C[C@@H](O)COc1cccnc1N 34a_100000211975_100009817552 [0,2,0,0,0,0|2,0,0]=4 13014 B12R1.125 C[C@@H](O)COc1cccnc1N 7a_100000211975_100009817552 [0,2,0,0,0,0|2,0,0]=4 13015 B12R1.125 C[C@@H](O)COc1cccoc1=O 34a_100000077404_100009817552 [0,2,0,0,0,0|2,0,0]=4 13016 B12R1.125 C[C@@H](O)COc1cccoc1=O 7a_100000077404_100009817552 [0,2,0,0,0,0|2,0,0]=4 13017 B12R1.125 C[C@@H](O)COc1ccncc1Br 34a_100011996408_100009817552 [0,2,0,0,0,0|2,0,0]=4 13018 B12R1.125 C[C@@H](O)COc1ccncc1Cl 34a_100011997054_100009817552 [0,2,0,0,0,0|2,0,0]=4 13019 B12R1.125 C[C@@H](O)COc1ccncc1F 34a_200000081243_100009817552 [0,2,0,0,0,0|2,0,0]=4 13020 B12R1.125 C[C@@H](O)COc1cnccc1Cl 34a_100011996695_100009817552 [0,2,0,0,0,0|2,0,0]=4 13021 B12R1.125 C[C@@H](O)COc1cnccc1I 34a_100000050107_100009817552 [0,2,0,0,0,0|2,0,0]=4 13022 B12R1.125 C[C@@H](O)COc1cnccc1N 34a_100000753702_100009817552 [0,2,0,0,0,0|2,0,0]=4 13023 B12R1.125 C[C@@H](O)COc1coccc1=O 34a_100000060831_100009817552 [0,2,0,0,0,0|2,0,0]=4 13024 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,2,0,0,0,0|2,0,0]=4 13025 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,2,0,0,0,0|2,0,0]=4 13026 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,2,0,0,0,0|2,0,0]=4 13027 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=O 62a_100009817552_100009998708 [0,2,0,0,0,0|2,0,0]=4 13028 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=O 62a_100009998708_100009817552 [0,2,0,0,0,0|2,0,0]=4 13029 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=S 62a_100009817552_200012280681 [0,2,0,0,0,0|2,0,0]=4 13030 B12R1.125 C[C@@H](O)CSc1c[nH]ccc1=S 62a_200012280681_100009817552 [0,2,0,0,0,0|2,0,0]=4 13031 B12R1.125 C[C@@H](O)CSc1cccc[n+]1C 62a_100009817552_100000212160 [0,2,0,0,0,0|2,0,0]=4 13032 B12R1.125 C[C@@H](O)CSc1cccc[n+]1[O-] 62a_100009817552_200000042595 [0,2,0,0,0,0|2,0,0]=4 13033 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,2,0,0,0,0|1,0,0]=3 13034 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,2,0,0,0,0|1,0,0]=3 13035 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,2,0,0,0,0|1,0,0]=3 13036 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,2,0,0,0,0|1,0,0]=3 13037 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,2,0,0,0,0|1,0,0]=3 13038 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,2,0,0,0,0|1,0,0]=3 13039 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,2,0,0,0,0|1,0,0]=3 13040 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,2,0,0,0,0|1,0,0]=3 13041 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,2,0,0,0,0|1,0,0]=3 13042 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,2,0,0,0,0|1,0,0]=3 13043 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100009817552_100010202626 [0,2,0,0,0,0|2,0,0]=4 13044 B12R1.125 C[C@@H](O)CSc1cccnc1Br 62a_100010202626_100009817552 [0,2,0,0,0,0|2,0,0]=4 13045 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100000036424_100009817552 [0,2,0,0,0,0|2,0,0]=4 13046 B12R1.125 C[C@@H](O)CSc1cccnc1Cl 62a_100009817552_100000036424 [0,2,0,0,0,0|2,0,0]=4 13047 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009816115_100009817552 [0,2,0,0,0,0|2,0,0]=4 13048 B12R1.125 C[C@@H](O)CSc1cccnc1F 62a_100009817552_100009816115 [0,2,0,0,0,0|2,0,0]=4 13049 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100000045569_100009817552 [0,2,0,0,0,0|2,0,0]=4 13050 B12R1.125 C[C@@H](O)CSc1cccnc1N 62a_100009817552_100000045569 [0,2,0,0,0,0|2,0,0]=4 13051 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100000760158_100009817552 [0,2,0,0,0,0|2,0,0]=4 13052 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100009817552_100000760158 [0,2,0,0,0,0|2,0,0]=4 13053 B12R1.125 C[C@@H](O)CSc1ccncc1Br 62a_100000726257_100009817552 [0,2,0,0,0,0|2,0,0]=4 13054 B12R1.125 C[C@@H](O)CSc1ccncc1Br 62a_100009817552_100000726257 [0,2,0,0,0,0|2,0,0]=4 13055 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100000708259_100009817552 [0,2,0,0,0,0|2,0,0]=4 13056 B12R1.125 C[C@@H](O)CSc1ccncc1Cl 62a_100009817552_100000708259 [0,2,0,0,0,0|2,0,0]=4 13057 B12R1.125 C[C@@H](O)CSc1ccncc1F 62a_100000047030_100009817552 [0,2,0,0,0,0|2,0,0]=4 13058 B12R1.125 C[C@@H](O)CSc1ccncc1F 62a_100009817552_100000047030 [0,2,0,0,0,0|2,0,0]=4 13059 B12R1.125 C[C@@H](O)CSc1ccncc1N 62a_100000756074_100009817552 [0,2,0,0,0,0|2,0,0]=4 13060 B12R1.125 C[C@@H](O)CSc1ccncc1N 62a_100009817552_100000756074 [0,2,0,0,0,0|2,0,0]=4 13061 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817552_100009817591 [0,2,0,0,0,0|2,0,0]=4 13062 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817591_100009817552 [0,2,0,0,0,0|2,0,0]=4 13063 B12R1.125 C[C@@H](O)CSc1cnccc1Br 62a_100009817552_100010138639 [0,2,0,0,0,0|2,0,0]=4 13064 B12R1.125 C[C@@H](O)CSc1cnccc1Br 62a_100010138639_100009817552 [0,2,0,0,0,0|2,0,0]=4 13065 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009817552_100009995489 [0,2,0,0,0,0|2,0,0]=4 13066 B12R1.125 C[C@@H](O)CSc1cnccc1Cl 62a_100009995489_100009817552 [0,2,0,0,0,0|2,0,0]=4 13067 B12R1.125 C[C@@H](O)CSc1cnccc1F 62a_100009817552_100009820683 [0,2,0,0,0,0|2,0,0]=4 13068 B12R1.125 C[C@@H](O)CSc1cnccc1F 62a_100009820683_100009817552 [0,2,0,0,0,0|2,0,0]=4 13069 B12R1.125 C[C@@H](O)CSc1cnccc1N 62a_100000047001_100009817552 [0,2,0,0,0,0|2,0,0]=4 13070 B12R1.125 C[C@@H](O)CSc1cnccc1N 62a_100009817552_100000047001 [0,2,0,0,0,0|2,0,0]=4 13071 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100000696092_100009817552 [0,2,0,0,0,0|2,0,0]=4 13072 B12R1.125 C[C@@H](O)CSc1ncccc1Br 62a_100009817552_100000696092 [0,2,0,0,0,0|2,0,0]=4 13073 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100009817552_100011356963 [0,2,0,0,0,0|2,0,0]=4 13074 B12R1.125 C[C@@H](O)CSc1ncccc1Cl 62a_100011356963_100009817552 [0,2,0,0,0,0|2,0,0]=4 13075 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100000685392_100009817552 [0,2,0,0,0,0|2,0,0]=4 13076 B12R1.125 C[C@@H](O)CSc1ncccc1F 62a_100009817552_100000685392 [0,2,0,0,0,0|2,0,0]=4 13077 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100000688686_100009817552 [0,2,0,0,0,0|2,0,0]=4 13078 B12R1.125 C[C@@H](O)CSc1ncccc1N 62a_100009817552_100000688686 [0,2,0,0,0,0|2,0,0]=4 13079 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,2,0,0,0,0|2,0,0]=4 13080 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,2,0,0,0,0|2,0,0]=4 13081 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,2,0,0,0,0|0,0,2]=4 13082 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,2,0,0,0,0|0,0,2]=4 13083 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,2,0,0,0,0|2,0,0]=4 13084 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,2,0,0,0,0|2,0,0]=4 13085 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,2,0,0,0,0|2,0,0]=4 13086 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,2,0,0,0,0|2,0,0]=4 13087 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,2,0,0,0,0|2,0,0]=4 13088 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,2,0,0,0,0|2,0,0]=4 13089 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,2,0,0,0,0|2,0,0]=4 13090 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,2,0,0,0,0|2,0,0]=4 13091 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,2,0,0,0,0|2,0,0]=4 13092 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,2,0,0,0,0|2,0,0]=4 13093 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,2,0,0,0,0|2,0,0]=4 13094 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,2,0,0,0,0|2,0,0]=4 13095 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,2,0,0,0,0|1,0,0]=3 13096 B12R1.125 Cc1ccccc1NCC(F)F 34a_100015192222_100011934356 [0,2,0,0,0,0|2,0,0]=4 13097 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,2,0,0,0,0|1,0,0]=3 13098 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,2,0,0,0,0|2,0,0]=4 13099 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,2,0,0,0,0|2,0,0]=4 13100 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,2,0,0,0,0|1,0,0]=3 13101 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,2,0,0,0,0|1,0,0]=3 13102 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [0,2,0,0,0,0|2,0,0]=4 13103 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [0,2,0,0,0,0|2,0,0]=4 13104 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,2,0,0,0,0|1,0,0]=3 13105 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,2,0,0,0,0|1,0,0]=3 13106 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [0,2,0,0,0,0|2,0,0]=4 13107 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [0,2,0,0,0,0|2,0,0]=4 13108 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,2,0,0,0,0|1,0,0]=3 13109 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,2,0,0,0,0|1,0,0]=3 13110 B12R1.125 Cc1ccccc1SCC(F)F 62a_100000210755_100011934356 [0,2,0,0,0,0|2,0,0]=4 13111 B12R1.125 Cc1ccccc1SCC(F)F 62a_100011934356_100000210755 [0,2,0,0,0,0|2,0,0]=4 13112 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,2,0,0,0,0|1,0,0]=3 13113 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,2,0,0,0,0|1,0,0]=3 13114 B12R1.125 Cc1cccnc1SCC(C)O 62a_100000751373_100011218427 [0,2,0,0,0,0|2,0,0]=4 13115 B12R1.125 Cc1cccnc1SCC(C)O 62a_100011218427_100000751373 [0,2,0,0,0,0|2,0,0]=4 13116 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100000751373_100009817552 [0,2,0,0,0,0|2,0,0]=4 13117 B12R1.125 Cc1cccnc1SC[C@@H](C)O 62a_100009817552_100000751373 [0,2,0,0,0,0|2,0,0]=4 13118 B12R1.125 Cc1ccncc1OCC(C)O 34a_100011997053_100011218427 [0,2,0,0,0,0|2,0,0]=4 13119 B12R1.125 Cc1ccncc1OCC(C)O 7a_100011997053_100011218427 [0,2,0,0,0,0|2,0,0]=4 13120 B12R1.125 Cc1ccncc1OC[C@@H](C)O 34a_100011997053_100009817552 [0,2,0,0,0,0|2,0,0]=4 13121 B12R1.125 Cc1ccncc1OC[C@@H](C)O 7a_100011997053_100009817552 [0,2,0,0,0,0|2,0,0]=4 13122 B12R1.125 Cc1ccncc1SCC(C)O 62a_100000761580_100011218427 [0,2,0,0,0,0|2,0,0]=4 13123 B12R1.125 Cc1ccncc1SCC(C)O 62a_100011218427_100000761580 [0,2,0,0,0,0|2,0,0]=4 13124 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100000761580_100009817552 [0,2,0,0,0,0|2,0,0]=4 13125 B12R1.125 Cc1ccncc1SC[C@@H](C)O 62a_100009817552_100000761580 [0,2,0,0,0,0|2,0,0]=4 13126 B12R1.125 Cc1cnccc1NCC(C)O 27a_100000210904_100000765111 [0,2,0,0,0,0|2,0,0]=4 13127 B12R1.125 Cc1cnccc1OCC(C)O 34a_100000694293_100011218427 [0,2,0,0,0,0|2,0,0]=4 13128 B12R1.125 Cc1cnccc1OC[C@@H](C)O 34a_100000694293_100009817552 [0,2,0,0,0,0|2,0,0]=4 13129 B12R1.125 Cc1cnccc1SCC(C)O 62a_100000765111_100011218427 [0,2,0,0,0,0|2,0,0]=4 13130 B12R1.125 Cc1cnccc1SCC(C)O 62a_100011218427_100000765111 [0,2,0,0,0,0|2,0,0]=4 13131 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100000765111_100009817552 [0,2,0,0,0,0|2,0,0]=4 13132 B12R1.125 Cc1cnccc1SC[C@@H](C)O 62a_100009817552_100000765111 [0,2,0,0,0,0|2,0,0]=4 13133 B12R1.125 Cc1ncccc1OCC(C)O 34a_100000745507_100011218427 [0,2,0,0,0,0|2,0,0]=4 13134 B12R1.125 Cc1ncccc1OCC(C)O 7a_100000745507_100011218427 [0,2,0,0,0,0|2,0,0]=4 13135 B12R1.125 Cc1ncccc1OC[C@@H](C)O 34a_100000745507_100009817552 [0,2,0,0,0,0|2,0,0]=4 13136 B12R1.125 Cc1ncccc1OC[C@@H](C)O 7a_100000745507_100009817552 [0,2,0,0,0,0|2,0,0]=4 13137 B12R1.125 Cc1ncccc1SCC(C)O 62a_100000751574_100011218427 [0,2,0,0,0,0|2,0,0]=4 13138 B12R1.125 Cc1ncccc1SCC(C)O 62a_100011218427_100000751574 [0,2,0,0,0,0|2,0,0]=4 13139 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100000751574_100009817552 [0,2,0,0,0,0|2,0,0]=4 13140 B12R1.125 Cc1ncccc1SC[C@@H](C)O 62a_100009817552_100000751574 [0,2,0,0,0,0|2,0,0]=4 13141 B12R1.125 FC(F)CNc1ccccc1Br 34a_100000210017_100011934356 [0,2,0,0,0,0|2,0,0]=4 13142 B12R1.125 FC(F)CNc1ccccc1Cl 34a_100000185783_100011934356 [0,2,0,0,0,0|2,0,0]=4 13143 B12R1.125 FC(F)CNc1ccccc1I 34a_100000210053_100011934356 [0,2,0,0,0,0|2,0,0]=4 13144 B12R1.125 FC(F)COc1ccccc1Br 34a_100000181306_100011934356 [0,2,0,0,0,0|2,0,0]=4 13145 B12R1.125 FC(F)COc1ccccc1Br 7a_100000181306_100011934356 [0,2,0,0,0,0|2,0,0]=4 13146 B12R1.125 FC(F)COc1ccccc1Cl 34a_100000210172_100011934356 [0,2,0,0,0,0|2,0,0]=4 13147 B12R1.125 FC(F)COc1ccccc1Cl 7a_100000210172_100011934356 [0,2,0,0,0,0|2,0,0]=4 13148 B12R1.125 FC(F)COc1ccccc1I 34a_100000739446_100011934356 [0,2,0,0,0,0|2,0,0]=4 13149 B12R1.125 FC(F)COc1ccccc1I 7a_100000739446_100011934356 [0,2,0,0,0,0|2,0,0]=4 13150 B12R1.125 FC(F)CSc1ccccc1Br 62a_100000695589_100011934356 [0,2,0,0,0,0|2,0,0]=4 13151 B12R1.125 FC(F)CSc1ccccc1Br 62a_100011934356_100000695589 [0,2,0,0,0,0|2,0,0]=4 13152 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100000764095_100011934356 [0,2,0,0,0,0|2,0,0]=4 13153 B12R1.125 FC(F)CSc1ccccc1Cl 62a_100011934356_100000764095 [0,2,0,0,0,0|2,0,0]=4 13154 B12R1.125 Fc1ccccc1NCC(F)F 34a_100000210422_100011934356 [0,2,0,0,0,0|2,0,0]=4 13155 B12R1.125 Fc1ccccc1OCC(F)F 34a_100000210171_100011934356 [0,2,0,0,0,0|2,0,0]=4 13156 B12R1.125 Fc1ccccc1OCC(F)F 7a_100000210171_100011934356 [0,2,0,0,0,0|2,0,0]=4 13157 B12R1.125 Fc1ccccc1SCC(F)F 62a_100011215700_100011934356 [0,2,0,0,0,0|2,0,0]=4 13158 B12R1.125 Fc1ccccc1SCC(F)F 62a_100011934356_100011215700 [0,2,0,0,0,0|2,0,0]=4 13159 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,2,0,0,0,0|0,0,2]=4 13160 B12R1.125 Nc1ccccc1OCC(F)F 34a_100000185747_100011934356 [0,2,0,0,0,0|2,0,0]=4 13161 B12R1.125 Nc1ccccc1OCC(F)F 7a_100000185747_100011934356 [0,2,0,0,0,0|2,0,0]=4 13162 B12R1.125 Nc1ccccc1SCC(F)F 62a_100000210017_100011934356 [0,2,0,0,0,0|2,0,0]=4 13163 B12R1.125 Nc1ccccc1SCC(F)F 62a_100011934356_100000210017 [0,2,0,0,0,0|2,0,0]=4 13164 B12R1.125 Oc1ccccc1NCC(F)F 34a_100000185747_100011934356 [0,2,0,0,0,0|2,0,0]=4 13165 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [0,2,0,0,0,0|2,0,0]=4 13166 B12R1.125 Oc1ccccc1SCC(F)F 62a_100000739446_100011934356 [0,2,0,0,0,0|2,0,0]=4 13167 B12R1.125 Oc1ccccc1SCC(F)F 62a_100011934356_100000739446 [0,2,0,0,0,0|2,0,0]=4 13168 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,2,0,0,0,0|0,0,2]=4 13169 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,2,0,0,0,0|0,0,2]=4 13170 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,2,0,0,0,0|0,0,2]=4 13171 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,2,0,0,0,0|0,0,2]=4 13172 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,2,0,0,0,0|0,0,2]=4 13173 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,2,0,0,0,0|1,0,0]=3 13174 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,2,0,0,0,0|1,0,0]=3 13175 B12R1.267 BrCCOCc1cccnc1Br 34a_100000211926_100010140945 [0,2,0,0,0,0|2,0,0]=4 13176 B12R1.267 BrCCOCc1ncccc1Br 34a_100000211926_100025702911 [0,2,0,0,0,0|2,0,0]=4 13177 B12R1.267 C#CCCNc1ccccc1Br 34a_100000210017_100000688953 [0,2,0,0,0,0|1,0,1]=4 13178 B12R1.267 C#CCCNc1ccccc1C 34a_100015192222_100000688953 [0,2,0,0,0,0|1,0,1]=4 13179 B12R1.267 C#CCCNc1ccccc1Cl 34a_100000185783_100000688953 [0,2,0,0,0,0|1,0,1]=4 13180 B12R1.267 C#CCCNc1ccccc1F 34a_100000210422_100000688953 [0,2,0,0,0,0|1,0,1]=4 13181 B12R1.267 C#CCCNc1ccccc1I 34a_100000210053_100000688953 [0,2,0,0,0,0|1,0,1]=4 13182 B12R1.267 C#CCCNc1ccccc1O 34a_100000185747_100000688953 [0,2,0,0,0,0|1,0,1]=4 13183 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [0,2,0,0,0,0|1,0,1]=4 13184 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [0,2,0,0,0,0|1,0,1]=4 13185 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [0,2,0,0,0,0|1,0,1]=4 13186 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [0,2,0,0,0,0|1,0,1]=4 13187 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [0,2,0,0,0,0|1,0,1]=4 13188 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [0,2,0,0,0,0|1,0,1]=4 13189 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [0,2,0,0,0,0|1,0,1]=4 13190 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [0,2,0,0,0,0|1,0,1]=4 13191 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [0,2,0,0,0,0|1,0,1]=4 13192 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [0,2,0,0,0,0|1,0,1]=4 13193 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [0,2,0,0,0,0|1,0,1]=4 13194 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [0,2,0,0,0,0|1,0,1]=4 13195 B12R1.267 C#CCCSc1ccccc1Br 62a_100000688953_100000695589 [0,2,0,0,0,0|1,0,1]=4 13196 B12R1.267 C#CCCSc1ccccc1Br 62a_100000695589_100000688953 [0,2,0,0,0,0|1,0,1]=4 13197 B12R1.267 C#CCCSc1ccccc1C 62a_100000210755_100000688953 [0,2,0,0,0,0|1,0,1]=4 13198 B12R1.267 C#CCCSc1ccccc1C 62a_100000688953_100000210755 [0,2,0,0,0,0|1,0,1]=4 13199 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000688953_100000764095 [0,2,0,0,0,0|1,0,1]=4 13200 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000764095_100000688953 [0,2,0,0,0,0|1,0,1]=4 13201 B12R1.267 C#CCCSc1ccccc1F 62a_100000688953_100011215700 [0,2,0,0,0,0|1,0,1]=4 13202 B12R1.267 C#CCCSc1ccccc1F 62a_100011215700_100000688953 [0,2,0,0,0,0|1,0,1]=4 13203 B12R1.267 C#CCCSc1ccccc1N 62a_100000210017_100000688953 [0,2,0,0,0,0|1,0,1]=4 13204 B12R1.267 C#CCCSc1ccccc1N 62a_100000688953_100000210017 [0,2,0,0,0,0|1,0,1]=4 13205 B12R1.267 C#CCCSc1ccccc1O 62a_100000688953_100000739446 [0,2,0,0,0,0|1,0,1]=4 13206 B12R1.267 C#CCCSc1ccccc1O 62a_100000739446_100000688953 [0,2,0,0,0,0|1,0,1]=4 13207 B12R1.267 C#CCNCc1ccccc1Br 2230a_100000689332_100000038162 [0,2,0,0,0,0|1,0,1]=4 13208 B12R1.267 C#CCNCc1ccccc1Br 34a_100000212058_100000184730 [0,2,0,0,0,0|1,0,1]=4 13209 B12R1.267 C#CCNCc1ccccc1Br 34a_100000689332_100000184674 [0,2,0,0,0,0|1,0,1]=4 13210 B12R1.267 C#CCNCc1ccccc1C 34a_100000174972_100000184674 [0,2,0,0,0,0|1,0,1]=4 13211 B12R1.267 C#CCNCc1ccccc1C 34a_100000212058_100000211839 [0,2,0,0,0,0|1,0,1]=4 13212 B12R1.267 C#CCNCc1ccccc1Cl 2230a_100000174879_100000038162 [0,2,0,0,0,0|1,0,1]=4 13213 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000174879_100000184674 [0,2,0,0,0,0|1,0,1]=4 13214 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000212058_100000187162 [0,2,0,0,0,0|1,0,1]=4 13215 B12R1.267 C#CCNCc1ccccc1F 34a_100000174869_100000184674 [0,2,0,0,0,0|1,0,1]=4 13216 B12R1.267 C#CCNCc1ccccc1F 34a_100000212058_100000211605 [0,2,0,0,0,0|1,0,1]=4 13217 B12R1.267 C#CCNCc1ccccc1I 34a_100000212058_100011215278 [0,2,0,0,0,0|1,0,1]=4 13218 B12R1.267 C#CCNCc1ccccc1O 34a_100000185550_100000184674 [0,2,0,0,0,0|1,0,1]=4 13219 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [0,2,0,0,0,0|1,0,1]=4 13220 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [0,2,0,0,0,0|1,0,1]=4 13221 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [0,2,0,0,0,0|1,0,1]=4 13222 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [0,2,0,0,0,0|1,0,1]=4 13223 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [0,2,0,0,0,0|1,0,1]=4 13224 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [0,2,0,0,0,0|1,0,1]=4 13225 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [0,2,0,0,0,0|1,0,1]=4 13226 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [0,2,0,0,0,0|1,0,1]=4 13227 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [0,2,0,0,0,0|1,0,1]=4 13228 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [0,2,0,0,0,0|1,0,1]=4 13229 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [0,2,0,0,0,0|1,0,1]=4 13230 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [0,2,0,0,0,0|1,0,1]=4 13231 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [0,2,0,0,0,0|1,0,1]=4 13232 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [0,2,0,0,0,0|1,0,1]=4 13233 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [0,2,0,0,0,0|1,0,1]=4 13234 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [0,2,0,0,0,0|1,0,1]=4 13235 B12R1.267 C#CCSCc1ccccc1Br 62a_100000038162_100000184730 [0,2,0,0,0,0|1,0,1]=4 13236 B12R1.267 C#CCSCc1ccccc1C 62a_100000038162_100000211839 [0,2,0,0,0,0|1,0,1]=4 13237 B12R1.267 C#CCSCc1ccccc1Cl 62a_100000038162_100000187162 [0,2,0,0,0,0|1,0,1]=4 13238 B12R1.267 C#CCSCc1ccccc1F 62a_100000038162_100000211605 [0,2,0,0,0,0|1,0,1]=4 13239 B12R1.267 C#CCSCc1ccccc1I 62a_100000038162_100011216222 [0,2,0,0,0,0|1,0,1]=4 13240 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,2,0,0,0,0|1,0,1]=4 13241 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,2,0,0,0,0|1,0,1]=4 13242 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,2,0,0,0,0|1,0,1]=4 13243 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,2,0,0,0,0|1,0,1]=4 13244 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,2,0,0,0,0|1,0,1]=4 13245 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,2,0,0,0,0|1,0,1]=4 13246 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,2,0,0,0,0|1,0,1]=4 13247 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,2,0,0,0,0|1,0,1]=4 13248 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,2,0,0,0,0|1,0,1]=4 13249 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,2,0,0,0,0|1,0,1]=4 13250 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,2,0,0,0,0|1,0,1]=4 13251 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,2,0,0,0,0|1,0,1]=4 13252 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,2,0,0,0,0|1,0,1]=4 13253 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,2,0,0,0,0|1,0,1]=4 13254 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,2,0,0,0,0|1,0,1]=4 13255 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,2,0,0,0,0|1,0,1]=4 13256 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,2,0,0,0,0|1,0,1]=4 13257 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,2,0,0,0,0|1,0,1]=4 13258 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,2,0,0,0,0|1,0,1]=4 13259 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,2,0,0,0,0|1,0,1]=4 13260 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,2,0,0,0,0|1,0,1]=4 13261 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,2,0,0,0,0|1,0,1]=4 13262 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,2,0,0,0,0|1,0,1]=4 13263 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,2,0,0,0,0|1,0,1]=4 13264 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,2,0,0,0,0|1,0,1]=4 13265 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,2,0,0,0,0|1,0,1]=4 13266 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,2,0,0,0,0|1,0,1]=4 13267 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,2,0,0,0,0|1,0,1]=4 13268 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,2,0,0,0,0|1,0,1]=4 13269 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,2,0,0,0,0|1,0,1]=4 13270 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [0,2,0,0,0,0|1,0,1]=4 13271 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [0,2,0,0,0,0|1,0,1]=4 13272 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [0,2,0,0,0,0|1,0,1]=4 13273 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [0,2,0,0,0,0|1,0,1]=4 13274 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,2,0,0,0,0|1,0,1]=4 13275 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,2,0,0,0,0|1,0,1]=4 13276 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,2,0,0,0,0|1,0,1]=4 13277 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [0,2,0,0,0,0|1,0,1]=4 13278 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [0,2,0,0,0,0|1,0,1]=4 13279 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [0,2,0,0,0,0|1,0,1]=4 13280 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [0,2,0,0,0,0|1,0,1]=4 13281 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [0,2,0,0,0,0|1,0,1]=4 13282 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [0,2,0,0,0,0|1,0,1]=4 13283 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [0,2,0,0,0,0|1,0,1]=4 13284 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [0,2,0,0,0,0|1,0,1]=4 13285 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [0,2,0,0,0,0|1,0,1]=4 13286 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [0,2,0,0,0,0|1,0,1]=4 13287 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,2,0,0,0,0|1,0,1]=4 13288 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,2,0,0,0,0|1,0,1]=4 13289 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,2,0,0,0,0|1,0,1]=4 13290 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,2,0,0,0,0|1,0,1]=4 13291 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,2,0,0,0,0|1,0,1]=4 13292 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,2,0,0,0,0|1,0,1]=4 13293 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,2,0,0,0,0|1,0,1]=4 13294 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,2,0,0,0,0|1,0,1]=4 13295 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,2,0,0,0,0|1,0,1]=4 13296 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,2,0,0,0,0|1,0,1]=4 13297 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,2,0,0,0,0|1,0,1]=4 13298 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,2,0,0,0,0|1,0,1]=4 13299 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,2,0,0,0,0|1,0,1]=4 13300 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,2,0,0,0,0|1,0,1]=4 13301 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,2,0,0,0,0|1,0,1]=4 13302 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,2,0,0,0,0|1,0,1]=4 13303 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [0,2,0,0,0,0|1,0,1]=4 13304 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [0,2,0,0,0,0|1,0,1]=4 13305 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,2,0,0,0,0|1,0,1]=4 13306 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,2,0,0,0,0|1,0,1]=4 13307 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [0,2,0,0,0,0|1,0,1]=4 13308 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [0,2,0,0,0,0|1,0,1]=4 13309 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [0,2,0,0,0,0|1,0,1]=4 13310 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [0,2,0,0,0,0|1,0,1]=4 13311 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [0,2,0,0,0,0|1,0,1]=4 13312 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [0,2,0,0,0,0|1,0,1]=4 13313 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [0,2,0,0,0,0|1,0,1]=4 13314 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [0,2,0,0,0,0|1,0,1]=4 13315 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [0,2,0,0,0,0|1,0,1]=4 13316 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [0,2,0,0,0,0|1,0,1]=4 13317 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [0,2,0,0,0,0|1,0,1]=4 13318 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [0,2,0,0,0,0|1,0,1]=4 13319 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,2,0,0,0,0|1,0,0]=3 13320 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,2,0,0,0,0|1,0,0]=3 13321 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,2,0,0,0,0|1,0,0]=3 13322 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,2,0,0,0,0|1,0,0]=3 13323 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,2,0,0,0,0|1,0,0]=3 13324 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,2,0,0,0,0|1,0,0]=3 13325 B12R1.267 CCCCNc1ccncc1Br 27a_100000102301_100000726257 [0,2,0,0,0,0|2,0,0]=4 13326 B12R1.267 CCCCNc1ccncc1C 27a_100000102301_100000765111 [0,2,0,0,0,0|2,0,0]=4 13327 B12R1.267 CCCCNc1ccncc1F 27a_100000102301_100000035921 [0,2,0,0,0,0|2,0,0]=4 13328 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [0,2,0,0,0,0|2,0,0]=4 13329 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [0,2,0,0,0,0|2,0,0]=4 13330 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,2,0,0,0,0|1,0,0]=3 13331 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,2,0,0,0,0|1,0,0]=3 13332 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,2,0,0,0,0|1,0,0]=3 13333 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,2,0,0,0,0|1,0,0]=3 13334 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,2,0,0,0,0|1,0,0]=3 13335 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,2,0,0,0,0|1,0,0]=3 13336 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,2,0,0,0,0|1,0,0]=3 13337 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,2,0,0,0,0|1,0,0]=3 13338 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,2,0,0,0,0|1,0,0]=3 13339 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,2,0,0,0,0|1,0,0]=3 13340 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,2,0,0,0,0|1,0,0]=3 13341 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,2,0,0,0,0|1,0,0]=3 13342 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,2,0,0,0,0|1,0,0]=3 13343 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,2,0,0,0,0|2,0,0]=4 13344 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,2,0,0,0,0|2,0,0]=4 13345 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,2,0,0,0,0|2,0,0]=4 13346 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,2,0,0,0,0|2,0,0]=4 13347 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,2,0,0,0,0|2,0,0]=4 13348 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,2,0,0,0,0|2,0,0]=4 13349 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,2,0,0,0,0|2,0,0]=4 13350 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,2,0,0,0,0|2,0,0]=4 13351 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,2,0,0,0,0|2,0,0]=4 13352 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,2,0,0,0,0|2,0,0]=4 13353 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,2,0,0,0,0|2,0,0]=4 13354 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,2,0,0,0,0|2,0,0]=4 13355 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,2,0,0,0,0|2,0,0]=4 13356 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,2,0,0,0,0|2,0,0]=4 13357 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [0,2,0,0,0,0|2,0,0]=4 13358 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [0,2,0,0,0,0|2,0,0]=4 13359 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [0,2,0,0,0,0|2,0,0]=4 13360 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [0,2,0,0,0,0|2,0,0]=4 13361 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,2,0,0,0,0|2,0,0]=4 13362 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,2,0,0,0,0|2,0,0]=4 13363 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,2,0,0,0,0|2,0,0]=4 13364 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,2,0,0,0,0|2,0,0]=4 13365 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,2,0,0,0,0|2,0,0]=4 13366 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [0,2,0,0,0,0|2,0,0]=4 13367 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [0,2,0,0,0,0|2,0,0]=4 13368 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [0,2,0,0,0,0|2,0,0]=4 13369 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [0,2,0,0,0,0|2,0,0]=4 13370 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [0,2,0,0,0,0|2,0,0]=4 13371 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [0,2,0,0,0,0|2,0,0]=4 13372 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_100000210211_200012280681 [0,2,0,0,0,0|2,0,0]=4 13373 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_200012280681_100000210210 [0,2,0,0,0,0|2,0,0]=4 13374 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [0,2,0,0,0,0|2,0,0]=4 13375 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [0,2,0,0,0,0|2,0,0]=4 13376 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,2,0,0,0,0|1,0,0]=3 13377 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,2,0,0,0,0|1,0,0]=3 13378 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,2,0,0,0,0|1,0,0]=3 13379 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,2,0,0,0,0|1,0,0]=3 13380 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,2,0,0,0,0|1,0,0]=3 13381 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,2,0,0,0,0|1,0,0]=3 13382 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,2,0,0,0,0|1,0,0]=3 13383 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,2,0,0,0,0|1,0,0]=3 13384 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,2,0,0,0,0|1,0,0]=3 13385 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,2,0,0,0,0|1,0,0]=3 13386 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,2,0,0,0,0|1,0,0]=3 13387 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,2,0,0,0,0|1,0,0]=3 13388 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [0,2,0,0,0,0|2,0,0]=4 13389 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [0,2,0,0,0,0|2,0,0]=4 13390 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [0,2,0,0,0,0|2,0,0]=4 13391 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [0,2,0,0,0,0|2,0,0]=4 13392 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [0,2,0,0,0,0|2,0,0]=4 13393 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [0,2,0,0,0,0|2,0,0]=4 13394 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [0,2,0,0,0,0|2,0,0]=4 13395 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [0,2,0,0,0,0|2,0,0]=4 13396 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [0,2,0,0,0,0|2,0,0]=4 13397 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [0,2,0,0,0,0|2,0,0]=4 13398 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,2,0,0,0,0|2,0,0]=4 13399 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,2,0,0,0,0|2,0,0]=4 13400 B12R1.267 CCCCSc1ccncc1Br 62a_100000210211_100000726257 [0,2,0,0,0,0|2,0,0]=4 13401 B12R1.267 CCCCSc1ccncc1Br 62a_100000726257_100000210210 [0,2,0,0,0,0|2,0,0]=4 13402 B12R1.267 CCCCSc1ccncc1C 62a_100000210211_100000765111 [0,2,0,0,0,0|2,0,0]=4 13403 B12R1.267 CCCCSc1ccncc1C 62a_100000765111_100000210210 [0,2,0,0,0,0|2,0,0]=4 13404 B12R1.267 CCCCSc1ccncc1Cl 62a_100000210211_100000708259 [0,2,0,0,0,0|2,0,0]=4 13405 B12R1.267 CCCCSc1ccncc1Cl 62a_100000708259_100000210210 [0,2,0,0,0,0|2,0,0]=4 13406 B12R1.267 CCCCSc1ccncc1F 62a_100000047030_100000210210 [0,2,0,0,0,0|2,0,0]=4 13407 B12R1.267 CCCCSc1ccncc1F 62a_100000210211_100000047030 [0,2,0,0,0,0|2,0,0]=4 13408 B12R1.267 CCCCSc1ccncc1N 62a_100000210211_100000756074 [0,2,0,0,0,0|2,0,0]=4 13409 B12R1.267 CCCCSc1ccncc1N 62a_100000756074_100000210210 [0,2,0,0,0,0|2,0,0]=4 13410 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [0,2,0,0,0,0|2,0,0]=4 13411 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [0,2,0,0,0,0|2,0,0]=4 13412 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [0,2,0,0,0,0|2,0,0]=4 13413 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [0,2,0,0,0,0|2,0,0]=4 13414 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [0,2,0,0,0,0|2,0,0]=4 13415 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [0,2,0,0,0,0|2,0,0]=4 13416 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [0,2,0,0,0,0|2,0,0]=4 13417 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [0,2,0,0,0,0|2,0,0]=4 13418 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [0,2,0,0,0,0|2,0,0]=4 13419 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [0,2,0,0,0,0|2,0,0]=4 13420 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [0,2,0,0,0,0|2,0,0]=4 13421 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [0,2,0,0,0,0|2,0,0]=4 13422 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [0,2,0,0,0,0|2,0,0]=4 13423 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [0,2,0,0,0,0|2,0,0]=4 13424 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [0,2,0,0,0,0|2,0,0]=4 13425 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [0,2,0,0,0,0|2,0,0]=4 13426 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [0,2,0,0,0,0|2,0,0]=4 13427 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [0,2,0,0,0,0|2,0,0]=4 13428 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [0,2,0,0,0,0|2,0,0]=4 13429 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [0,2,0,0,0,0|2,0,0]=4 13430 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [0,2,0,0,0,0|2,0,0]=4 13431 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [0,2,0,0,0,0|2,0,0]=4 13432 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [0,2,0,0,0,0|2,0,0]=4 13433 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [0,2,0,0,0,0|2,0,0]=4 13434 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,2,0,0,0,0|1,0,0]=3 13435 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,2,0,0,0,0|1,0,0]=3 13436 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,2,0,0,0,0|1,0,0]=3 13437 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,2,0,0,0,0|1,0,0]=3 13438 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,2,0,0,0,0|1,0,0]=3 13439 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,2,0,0,0,0|1,0,0]=3 13440 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,2,0,0,0,0|1,0,0]=3 13441 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,2,0,0,0,0|1,0,0]=3 13442 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,2,0,0,0,0|1,0,0]=3 13443 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,2,0,0,0,0|1,0,0]=3 13444 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,2,0,0,0,0|1,0,0]=3 13445 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,2,0,0,0,0|1,0,0]=3 13446 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,2,0,0,0,0|1,0,0]=3 13447 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,2,0,0,0,0|1,0,0]=3 13448 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,2,0,0,0,0|1,0,0]=3 13449 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,2,0,0,0,0|1,0,0]=3 13450 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,2,0,0,0,0|1,0,0]=3 13451 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,2,0,0,0,0|1,0,0]=3 13452 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [0,2,0,0,0,0|2,0,0]=4 13453 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [0,2,0,0,0,0|2,0,0]=4 13454 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [0,2,0,0,0,0|2,0,0]=4 13455 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [0,2,0,0,0,0|2,0,0]=4 13456 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [0,2,0,0,0,0|2,0,0]=4 13457 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [0,2,0,0,0,0|2,0,0]=4 13458 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [0,2,0,0,0,0|2,0,0]=4 13459 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,2,0,0,0,0|2,0,0]=4 13460 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,2,0,0,0,0|2,0,0]=4 13461 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [0,2,0,0,0,0|2,0,0]=4 13462 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [0,2,0,0,0,0|2,0,0]=4 13463 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [0,2,0,0,0,0|2,0,0]=4 13464 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [0,2,0,0,0,0|2,0,0]=4 13465 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [0,2,0,0,0,0|2,0,0]=4 13466 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [0,2,0,0,0,0|2,0,0]=4 13467 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [0,2,0,0,0,0|2,0,0]=4 13468 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [0,2,0,0,0,0|2,0,0]=4 13469 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,2,0,0,0,0|2,0,0]=4 13470 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,2,0,0,0,0|2,0,0]=4 13471 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,2,0,0,0,0|2,0,0]=4 13472 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,2,0,0,0,0|2,0,0]=4 13473 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,2,0,0,0,0|2,0,0]=4 13474 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,2,0,0,0,0|2,0,0]=4 13475 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,2,0,0,0,0|2,0,0]=4 13476 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,2,0,0,0,0|2,0,0]=4 13477 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,2,0,0,0,0|2,0,0]=4 13478 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,2,0,0,0,0|2,0,0]=4 13479 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,2,0,0,0,0|2,0,0]=4 13480 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,2,0,0,0,0|1,0,0]=3 13481 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,2,0,0,0,0|1,0,0]=3 13482 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,2,0,0,0,0|1,0,0]=3 13483 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,2,0,0,0,0|1,0,0]=3 13484 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,2,0,0,0,0|1,0,0]=3 13485 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,2,0,0,0,0|1,0,0]=3 13486 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,2,0,0,0,0|1,0,0]=3 13487 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,2,0,0,0,0|1,0,0]=3 13488 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,2,0,0,0,0|1,0,0]=3 13489 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,2,0,0,0,0|1,0,0]=3 13490 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,2,0,0,0,0|1,0,0]=3 13491 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,2,0,0,0,0|1,0,0]=3 13492 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,2,0,0,0,0|1,0,0]=3 13493 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,2,0,0,0,0|1,0,0]=3 13494 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,2,0,0,0,0|1,0,0]=3 13495 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,2,0,0,0,0|1,0,0]=3 13496 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,2,0,0,0,0|2,0,0]=4 13497 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,2,0,0,0,0|2,0,0]=4 13498 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,2,0,0,0,0|2,0,0]=4 13499 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,2,0,0,0,0|2,0,0]=4 13500 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,2,0,0,0,0|2,0,0]=4 13501 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,2,0,0,0,0|2,0,0]=4 13502 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,2,0,0,0,0|2,0,0]=4 13503 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,2,0,0,0,0|2,0,0]=4 13504 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,2,0,0,0,0|2,0,0]=4 13505 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,2,0,0,0,0|2,0,0]=4 13506 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,2,0,0,0,0|2,0,0]=4 13507 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,2,0,0,0,0|2,0,0]=4 13508 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [0,2,0,0,0,0|2,0,0]=4 13509 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [0,2,0,0,0,0|2,0,0]=4 13510 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [0,2,0,0,0,0|2,0,0]=4 13511 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,2,0,0,0,0|2,0,0]=4 13512 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,2,0,0,0,0|2,0,0]=4 13513 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,2,0,0,0,0|2,0,0]=4 13514 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [0,2,0,0,0,0|2,0,0]=4 13515 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [0,2,0,0,0,0|2,0,0]=4 13516 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [0,2,0,0,0,0|2,0,0]=4 13517 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [0,2,0,0,0,0|2,0,0]=4 13518 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [0,2,0,0,0,0|2,0,0]=4 13519 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [0,2,0,0,0,0|2,0,0]=4 13520 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [0,2,0,0,0,0|2,0,0]=4 13521 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [0,2,0,0,0,0|2,0,0]=4 13522 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [0,2,0,0,0,0|2,0,0]=4 13523 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,2,0,0,0,0|1,0,0]=3 13524 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,2,0,0,0,0|1,0,0]=3 13525 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,2,0,0,0,0|1,0,0]=3 13526 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,2,0,0,0,0|1,0,0]=3 13527 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,2,0,0,0,0|1,0,0]=3 13528 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,2,0,0,0,0|1,0,0]=3 13529 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,2,0,0,0,0|1,0,0]=3 13530 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,2,0,0,0,0|1,0,0]=3 13531 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,2,0,0,0,0|1,0,0]=3 13532 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,2,0,0,0,0|1,0,0]=3 13533 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,2,0,0,0,0|1,0,0]=3 13534 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [0,2,0,0,0,0|2,0,0]=4 13535 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [0,2,0,0,0,0|2,0,0]=4 13536 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [0,2,0,0,0,0|2,0,0]=4 13537 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [0,2,0,0,0,0|2,0,0]=4 13538 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [0,2,0,0,0,0|2,0,0]=4 13539 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [0,2,0,0,0,0|2,0,0]=4 13540 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [0,2,0,0,0,0|2,0,0]=4 13541 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [0,2,0,0,0,0|2,0,0]=4 13542 B12R1.267 CCCSCc1ccncc1C 62a_100000210303_100020672808 [0,2,0,0,0,0|2,0,0]=4 13543 B12R1.267 CCCSCc1ccncc1C 62a_100020672808_100000210303 [0,2,0,0,0,0|2,0,0]=4 13544 B12R1.267 CCCSCc1ccncc1Cl 62a_100000210303_100000763264 [0,2,0,0,0,0|2,0,0]=4 13545 B12R1.267 CCCSCc1ccncc1Cl 62a_100000763264_100000210303 [0,2,0,0,0,0|2,0,0]=4 13546 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [0,2,0,0,0,0|2,0,0]=4 13547 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [0,2,0,0,0,0|2,0,0]=4 13548 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [0,2,0,0,0,0|2,0,0]=4 13549 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13550 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [0,2,0,0,0,0|2,0,0]=4 13551 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [0,2,0,0,0,0|2,0,0]=4 13552 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [0,2,0,0,0,0|2,0,0]=4 13553 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [0,2,0,0,0,0|2,0,0]=4 13554 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [0,2,0,0,0,0|2,0,0]=4 13555 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [0,2,0,0,0,0|2,0,0]=4 13556 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [0,2,0,0,0,0|2,0,0]=4 13557 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [0,2,0,0,0,0|2,0,0]=4 13558 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,2,0,0,0,0|1,0,0]=3 13559 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,2,0,0,0,0|1,0,0]=3 13560 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,2,0,0,0,0|1,0,0]=3 13561 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,2,0,0,0,0|1,0,0]=3 13562 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,2,0,0,0,0|1,0,0]=3 13563 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,2,0,0,0,0|1,0,0]=3 13564 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,2,0,0,0,0|1,0,0]=3 13565 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,2,0,0,0,0|1,0,0]=3 13566 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,2,0,0,0,0|1,0,0]=3 13567 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,2,0,0,0,0|1,0,0]=3 13568 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,2,0,0,0,0|1,0,0]=3 13569 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,2,0,0,0,0|1,0,0]=3 13570 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,2,0,0,0,0|1,0,0]=3 13571 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,2,0,0,0,0|1,0,0]=3 13572 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,2,0,0,0,0|2,0,0]=4 13573 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,2,0,0,0,0|1,0,0]=3 13574 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,2,0,0,0,0|1,0,0]=3 13575 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,2,0,0,0,0|1,0,0]=3 13576 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,2,0,0,0,0|1,0,0]=3 13577 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,2,0,0,0,0|1,0,0]=3 13578 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,2,0,0,0,0|1,0,0]=3 13579 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,2,0,0,0,0|1,0,0]=3 13580 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,2,0,0,0,0|1,0,0]=3 13581 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,2,0,0,0,0|1,0,0]=3 13582 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,2,0,0,0,0|1,0,0]=3 13583 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,2,0,0,0,0|1,0,0]=3 13584 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,2,0,0,0,0|1,0,0]=3 13585 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,2,0,0,0,0|1,0,0]=3 13586 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,2,0,0,0,0|1,0,0]=3 13587 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,2,0,0,0,0|1,0,0]=3 13588 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,2,0,0,0,0|1,0,0]=3 13589 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [0,2,0,0,0,0|2,0,0]=4 13590 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [0,2,0,0,0,0|2,0,0]=4 13591 B12R1.267 CCOCSc1ccccc1Br 62a_100000695589_100000739092 [0,2,0,0,0,0|2,0,0]=4 13592 B12R1.267 CCOCSc1ccccc1Br 62a_100000739092_100000695589 [0,2,0,0,0,0|2,0,0]=4 13593 B12R1.267 CCOCSc1ccccc1C 62a_100000210755_100000739092 [0,2,0,0,0,0|2,0,0]=4 13594 B12R1.267 CCOCSc1ccccc1C 62a_100000739092_100000210755 [0,2,0,0,0,0|2,0,0]=4 13595 B12R1.267 CCOCSc1ccccc1Cl 62a_100000739092_100000764095 [0,2,0,0,0,0|2,0,0]=4 13596 B12R1.267 CCOCSc1ccccc1Cl 62a_100000764095_100000739092 [0,2,0,0,0,0|2,0,0]=4 13597 B12R1.267 CCOCSc1ccccc1F 62a_100000739092_100011215700 [0,2,0,0,0,0|2,0,0]=4 13598 B12R1.267 CCOCSc1ccccc1F 62a_100011215700_100000739092 [0,2,0,0,0,0|2,0,0]=4 13599 B12R1.267 CCOCSc1ccccc1N 62a_100000210017_100000739092 [0,2,0,0,0,0|2,0,0]=4 13600 B12R1.267 CCOCSc1ccccc1N 62a_100000739092_100000210017 [0,2,0,0,0,0|2,0,0]=4 13601 B12R1.267 CCOCSc1ccccc1O 62a_100000739092_100000739446 [0,2,0,0,0,0|2,0,0]=4 13602 B12R1.267 CCOCSc1ccccc1O 62a_100000739446_100000739092 [0,2,0,0,0,0|2,0,0]=4 13603 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,2,0,0,0,0|1,0,0]=3 13604 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,2,0,0,0,0|1,0,0]=3 13605 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,2,0,0,0,0|1,0,0]=3 13606 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,2,0,0,0,0|1,0,0]=3 13607 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,2,0,0,0,0|1,0,0]=3 13608 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,2,0,0,0,0|1,0,0]=3 13609 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,2,0,0,0,0|1,0,0]=3 13610 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,2,0,0,0,0|1,0,0]=3 13611 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,2,0,0,0,0|1,0,0]=3 13612 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,2,0,0,0,0|1,0,0]=3 13613 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,2,0,0,0,0|1,0,0]=3 13614 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,2,0,0,0,0|1,0,0]=3 13615 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,2,0,0,0,0|1,0,0]=3 13616 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,2,0,0,0,0|1,0,0]=3 13617 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,2,0,0,0,0|1,0,0]=3 13618 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,2,0,0,0,0|2,0,0]=4 13619 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,2,0,0,0,0|2,0,0]=4 13620 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,2,0,0,0,0|2,0,0]=4 13621 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,2,0,0,0,0|2,0,0]=4 13622 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,2,0,0,0,0|2,0,0]=4 13623 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,2,0,0,0,0|2,0,0]=4 13624 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,2,0,0,0,0|2,0,0]=4 13625 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,2,0,0,0,0|2,0,0]=4 13626 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,2,0,0,0,0|2,0,0]=4 13627 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,2,0,0,0,0|2,0,0]=4 13628 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,2,0,0,0,0|2,0,0]=4 13629 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,2,0,0,0,0|2,0,0]=4 13630 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,2,0,0,0,0|2,0,0]=4 13631 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,2,0,0,0,0|2,0,0]=4 13632 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,2,0,0,0,0|2,0,0]=4 13633 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,2,0,0,0,0|2,0,0]=4 13634 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,2,0,0,0,0|2,0,0]=4 13635 B12R1.267 COCC#Cc1ccccc1Br 34a_100009814404_200000210301 [0,2,0,0,0,0|0,0,2]=4 13636 B12R1.267 COCC#Cc1ccccc1Br 34a_100138415774_100010706765 [0,2,0,0,0,0|0,0,2]=4 13637 B12R1.267 COCC#Cc1ccccc1Br 7a_100009814404_200000210301 [0,2,0,0,0,0|0,0,2]=4 13638 B12R1.267 COCC#Cc1ccccc1C 34a_200011352491_200000210301 [0,2,0,0,0,0|0,0,2]=4 13639 B12R1.267 COCC#Cc1ccccc1C 7a_200011352491_200000210301 [0,2,0,0,0,0|0,0,2]=4 13640 B12R1.267 COCC#Cc1ccccc1Cl 34a_100011219350_200000210301 [0,2,0,0,0,0|0,0,2]=4 13641 B12R1.267 COCC#Cc1ccccc1Cl 7a_100011219350_200000210301 [0,2,0,0,0,0|0,0,2]=4 13642 B12R1.267 COCC#Cc1ccccc1F 34a_100011219114_200000210301 [0,2,0,0,0,0|0,0,2]=4 13643 B12R1.267 COCC#Cc1ccccc1F 34a_100138415774_100010404167 [0,2,0,0,0,0|0,0,2]=4 13644 B12R1.267 COCC#Cc1ccccc1F 7a_100011219114_200000210301 [0,2,0,0,0,0|0,0,2]=4 13645 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [0,2,0,0,0,0|0,0,2]=4 13646 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,2,0,0,0,0|0,0,2]=4 13647 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [0,2,0,0,0,0|0,0,2]=4 13648 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [0,2,0,0,0,0|0,0,2]=4 13649 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [0,2,0,0,0,0|0,0,2]=4 13650 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [0,2,0,0,0,0|0,0,2]=4 13651 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,2,0,0,0,0|0,0,0]=2 13652 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,2,0,0,0,0|0,0,0]=2 13653 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,2,0,0,0,0|0,0,0]=2 13654 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,2,0,0,0,0|0,0,0]=2 13655 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,2,0,0,0,0|0,0,0]=2 13656 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,2,0,0,0,0|0,0,0]=2 13657 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,2,0,0,0,0|0,0,0]=2 13658 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [0,2,0,0,0,0|1,0,0]=3 13659 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [0,2,0,0,0,0|1,0,0]=3 13660 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [0,2,0,0,0,0|1,0,0]=3 13661 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [0,2,0,0,0,0|1,0,0]=3 13662 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [0,2,0,0,0,0|1,0,0]=3 13663 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [0,2,0,0,0,0|1,0,0]=3 13664 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [0,2,0,0,0,0|1,0,0]=3 13665 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [0,2,0,0,0,0|1,0,0]=3 13666 B12R1.267 COCCNc1ccncc1Br 27a_100000209980_100000726257 [0,2,0,0,0,0|2,0,0]=4 13667 B12R1.267 COCCNc1ccncc1C 27a_100000209980_100000765111 [0,2,0,0,0,0|2,0,0]=4 13668 B12R1.267 COCCNc1ccncc1F 27a_100000209980_100000035921 [0,2,0,0,0,0|2,0,0]=4 13669 B12R1.267 COCCNc1ncccc1Br 27a_100000209980_100000696092 [0,2,0,0,0,0|2,0,0]=4 13670 B12R1.267 COCCOc1cccc[n+]1[O-] 7a_100000211761_100000233755 [0,2,0,0,0,0|2,0,0]=4 13671 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,2,0,0,0,0|1,0,0]=3 13672 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,2,0,0,0,0|1,0,0]=3 13673 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,2,0,0,0,0|1,0,0]=3 13674 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,2,0,0,0,0|1,0,0]=3 13675 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,2,0,0,0,0|1,0,0]=3 13676 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,2,0,0,0,0|1,0,0]=3 13677 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,2,0,0,0,0|1,0,0]=3 13678 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,2,0,0,0,0|1,0,0]=3 13679 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,2,0,0,0,0|1,0,0]=3 13680 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,2,0,0,0,0|1,0,0]=3 13681 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,2,0,0,0,0|1,0,0]=3 13682 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,2,0,0,0,0|1,0,0]=3 13683 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,2,0,0,0,0|1,0,0]=3 13684 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,2,0,0,0,0|1,0,0]=3 13685 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,2,0,0,0,0|1,0,0]=3 13686 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,2,0,0,0,0|1,0,0]=3 13687 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,2,0,0,0,0|1,0,0]=3 13688 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,2,0,0,0,0|1,0,0]=3 13689 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,2,0,0,0,0|1,0,0]=3 13690 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,2,0,0,0,0|1,0,0]=3 13691 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,2,0,0,0,0|1,0,0]=3 13692 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,2,0,0,0,0|1,0,0]=3 13693 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,2,0,0,0,0|1,0,0]=3 13694 B12R1.267 COCCOc1cccnc1Br 34a_100000744436_100011201679 [0,2,0,0,0,0|2,0,0]=4 13695 B12R1.267 COCCOc1cccnc1Br 7a_100000744436_100000233755 [0,2,0,0,0,0|2,0,0]=4 13696 B12R1.267 COCCOc1cccnc1C 34a_100000745507_100011201679 [0,2,0,0,0,0|2,0,0]=4 13697 B12R1.267 COCCOc1cccnc1C 7a_100000745507_100000233755 [0,2,0,0,0,0|2,0,0]=4 13698 B12R1.267 COCCOc1cccnc1Cl 34a_100000757616_100011201679 [0,2,0,0,0,0|2,0,0]=4 13699 B12R1.267 COCCOc1cccnc1Cl 7a_100000757616_100000233755 [0,2,0,0,0,0|2,0,0]=4 13700 B12R1.267 COCCOc1cccnc1F 34a_100000061740_100011201679 [0,2,0,0,0,0|2,0,0]=4 13701 B12R1.267 COCCOc1cccnc1F 7a_100000061740_100000233755 [0,2,0,0,0,0|2,0,0]=4 13702 B12R1.267 COCCOc1cccnc1I 34a_100000034122_100011201679 [0,2,0,0,0,0|2,0,0]=4 13703 B12R1.267 COCCOc1cccnc1I 7a_100000034122_100000233755 [0,2,0,0,0,0|2,0,0]=4 13704 B12R1.267 COCCOc1cccnc1N 34a_100000211975_100011201679 [0,2,0,0,0,0|2,0,0]=4 13705 B12R1.267 COCCOc1cccnc1N 7a_100000211975_100000233755 [0,2,0,0,0,0|2,0,0]=4 13706 B12R1.267 COCCOc1cccoc1=O 34a_100000077404_100011201679 [0,2,0,0,0,0|2,0,0]=4 13707 B12R1.267 COCCOc1cccoc1=O 7a_100000077404_100000233755 [0,2,0,0,0,0|2,0,0]=4 13708 B12R1.267 COCCOc1ccncc1Br 34a_100011996408_100011201679 [0,2,0,0,0,0|2,0,0]=4 13709 B12R1.267 COCCOc1ccncc1C 34a_100000694293_100011201679 [0,2,0,0,0,0|2,0,0]=4 13710 B12R1.267 COCCOc1ccncc1Cl 34a_100011997054_100011201679 [0,2,0,0,0,0|2,0,0]=4 13711 B12R1.267 COCCOc1ccncc1F 34a_200000081243_100011201679 [0,2,0,0,0,0|2,0,0]=4 13712 B12R1.267 COCCOc1cnccc1C 34a_100011997053_100011201679 [0,2,0,0,0,0|2,0,0]=4 13713 B12R1.267 COCCOc1cnccc1C 7a_100011997053_100000233755 [0,2,0,0,0,0|2,0,0]=4 13714 B12R1.267 COCCOc1cnccc1Cl 34a_100011996695_100011201679 [0,2,0,0,0,0|2,0,0]=4 13715 B12R1.267 COCCOc1cnccc1I 34a_100000050107_100011201679 [0,2,0,0,0,0|2,0,0]=4 13716 B12R1.267 COCCOc1cnccc1N 34a_100000753702_100011201679 [0,2,0,0,0,0|2,0,0]=4 13717 B12R1.267 COCCOc1coccc1=O 34a_100000060831_100011201679 [0,2,0,0,0,0|2,0,0]=4 13718 B12R1.267 COCCOc1ncccc1Cl 34a_100011290957_100011201679 [0,2,0,0,0,0|2,0,0]=4 13719 B12R1.267 COCCOc1ncccc1F 34a_100011219419_100011201679 [0,2,0,0,0,0|2,0,0]=4 13720 B12R1.267 COCCOc1ncccc1N 34a_100000746358_100011201679 [0,2,0,0,0,0|2,0,0]=4 13721 B12R1.267 COCCOc1ncccc1O 271570a_203496583355_100000754258 [0,2,0,0,0,0|2,0,0]=4 13722 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100000233755_100009998708 [0,2,0,0,0,0|2,0,0]=4 13723 B12R1.267 COCCSc1c[nH]ccc1=O 62a_100009998708_100000233755 [0,2,0,0,0,0|2,0,0]=4 13724 B12R1.267 COCCSc1c[nH]ccc1=S 62a_100000233755_200012280681 [0,2,0,0,0,0|2,0,0]=4 13725 B12R1.267 COCCSc1c[nH]ccc1=S 62a_200012280681_100000233755 [0,2,0,0,0,0|2,0,0]=4 13726 B12R1.267 COCCSc1cccc[n+]1C 62a_100000233755_100000212160 [0,2,0,0,0,0|2,0,0]=4 13727 B12R1.267 COCCSc1cccc[n+]1[O-] 62a_100000233755_200000042595 [0,2,0,0,0,0|2,0,0]=4 13728 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [0,2,0,0,0,0|1,0,0]=3 13729 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [0,2,0,0,0,0|1,0,0]=3 13730 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [0,2,0,0,0,0|1,0,0]=3 13731 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [0,2,0,0,0,0|1,0,0]=3 13732 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [0,2,0,0,0,0|1,0,0]=3 13733 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [0,2,0,0,0,0|1,0,0]=3 13734 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [0,2,0,0,0,0|1,0,0]=3 13735 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [0,2,0,0,0,0|1,0,0]=3 13736 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [0,2,0,0,0,0|1,0,0]=3 13737 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [0,2,0,0,0,0|1,0,0]=3 13738 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [0,2,0,0,0,0|1,0,0]=3 13739 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [0,2,0,0,0,0|1,0,0]=3 13740 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [0,2,0,0,0,0|1,0,0]=3 13741 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [0,2,0,0,0,0|1,0,0]=3 13742 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [0,2,0,0,0,0|1,0,0]=3 13743 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [0,2,0,0,0,0|1,0,0]=3 13744 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [0,2,0,0,0,0|1,0,0]=3 13745 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [0,2,0,0,0,0|1,0,0]=3 13746 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [0,2,0,0,0,0|1,0,0]=3 13747 B12R1.267 COCCSc1cccnc1Br 62a_100000233755_100010202626 [0,2,0,0,0,0|2,0,0]=4 13748 B12R1.267 COCCSc1cccnc1Br 62a_100010202626_100000233755 [0,2,0,0,0,0|2,0,0]=4 13749 B12R1.267 COCCSc1cccnc1C 62a_100000233755_100000751574 [0,2,0,0,0,0|2,0,0]=4 13750 B12R1.267 COCCSc1cccnc1C 62a_100000751574_100000233755 [0,2,0,0,0,0|2,0,0]=4 13751 B12R1.267 COCCSc1cccnc1Cl 62a_100000036424_100000233755 [0,2,0,0,0,0|2,0,0]=4 13752 B12R1.267 COCCSc1cccnc1Cl 62a_100000233755_100000036424 [0,2,0,0,0,0|2,0,0]=4 13753 B12R1.267 COCCSc1cccnc1F 62a_100000233755_100009816115 [0,2,0,0,0,0|2,0,0]=4 13754 B12R1.267 COCCSc1cccnc1F 62a_100009816115_100000233755 [0,2,0,0,0,0|2,0,0]=4 13755 B12R1.267 COCCSc1cccnc1N 62a_100000045569_100000233755 [0,2,0,0,0,0|2,0,0]=4 13756 B12R1.267 COCCSc1cccnc1N 62a_100000233755_100000045569 [0,2,0,0,0,0|2,0,0]=4 13757 B12R1.267 COCCSc1cccnc1O 62a_100000233755_100000760158 [0,2,0,0,0,0|2,0,0]=4 13758 B12R1.267 COCCSc1cccnc1O 62a_100000760158_100000233755 [0,2,0,0,0,0|2,0,0]=4 13759 B12R1.267 COCCSc1ccncc1Br 62a_100000233755_100000726257 [0,2,0,0,0,0|2,0,0]=4 13760 B12R1.267 COCCSc1ccncc1Br 62a_100000726257_100000233755 [0,2,0,0,0,0|2,0,0]=4 13761 B12R1.267 COCCSc1ccncc1C 62a_100000233755_100000765111 [0,2,0,0,0,0|2,0,0]=4 13762 B12R1.267 COCCSc1ccncc1C 62a_100000765111_100000233755 [0,2,0,0,0,0|2,0,0]=4 13763 B12R1.267 COCCSc1ccncc1Cl 62a_100000233755_100000708259 [0,2,0,0,0,0|2,0,0]=4 13764 B12R1.267 COCCSc1ccncc1Cl 62a_100000708259_100000233755 [0,2,0,0,0,0|2,0,0]=4 13765 B12R1.267 COCCSc1ccncc1F 62a_100000047030_100000233755 [0,2,0,0,0,0|2,0,0]=4 13766 B12R1.267 COCCSc1ccncc1F 62a_100000233755_100000047030 [0,2,0,0,0,0|2,0,0]=4 13767 B12R1.267 COCCSc1ccncc1N 62a_100000233755_100000756074 [0,2,0,0,0,0|2,0,0]=4 13768 B12R1.267 COCCSc1ccncc1N 62a_100000756074_100000233755 [0,2,0,0,0,0|2,0,0]=4 13769 B12R1.267 COCCSc1ccncc1O 62a_100000233755_100009817591 [0,2,0,0,0,0|2,0,0]=4 13770 B12R1.267 COCCSc1ccncc1O 62a_100009817591_100000233755 [0,2,0,0,0,0|2,0,0]=4 13771 B12R1.267 COCCSc1cnccc1Br 62a_100000233755_100010138639 [0,2,0,0,0,0|2,0,0]=4 13772 B12R1.267 COCCSc1cnccc1Br 62a_100010138639_100000233755 [0,2,0,0,0,0|2,0,0]=4 13773 B12R1.267 COCCSc1cnccc1C 62a_100000233755_100000761580 [0,2,0,0,0,0|2,0,0]=4 13774 B12R1.267 COCCSc1cnccc1C 62a_100000761580_100000233755 [0,2,0,0,0,0|2,0,0]=4 13775 B12R1.267 COCCSc1cnccc1Cl 62a_100000233755_100009995489 [0,2,0,0,0,0|2,0,0]=4 13776 B12R1.267 COCCSc1cnccc1Cl 62a_100009995489_100000233755 [0,2,0,0,0,0|2,0,0]=4 13777 B12R1.267 COCCSc1cnccc1F 62a_100000233755_100009820683 [0,2,0,0,0,0|2,0,0]=4 13778 B12R1.267 COCCSc1cnccc1F 62a_100009820683_100000233755 [0,2,0,0,0,0|2,0,0]=4 13779 B12R1.267 COCCSc1cnccc1N 62a_100000047001_100000233755 [0,2,0,0,0,0|2,0,0]=4 13780 B12R1.267 COCCSc1cnccc1N 62a_100000233755_100000047001 [0,2,0,0,0,0|2,0,0]=4 13781 B12R1.267 COCCSc1ncccc1Br 62a_100000233755_100000696092 [0,2,0,0,0,0|2,0,0]=4 13782 B12R1.267 COCCSc1ncccc1Br 62a_100000696092_100000233755 [0,2,0,0,0,0|2,0,0]=4 13783 B12R1.267 COCCSc1ncccc1C 62a_100000233755_100000751373 [0,2,0,0,0,0|2,0,0]=4 13784 B12R1.267 COCCSc1ncccc1C 62a_100000751373_100000233755 [0,2,0,0,0,0|2,0,0]=4 13785 B12R1.267 COCCSc1ncccc1Cl 62a_100000233755_100011356963 [0,2,0,0,0,0|2,0,0]=4 13786 B12R1.267 COCCSc1ncccc1Cl 62a_100011356963_100000233755 [0,2,0,0,0,0|2,0,0]=4 13787 B12R1.267 COCCSc1ncccc1F 62a_100000233755_100000685392 [0,2,0,0,0,0|2,0,0]=4 13788 B12R1.267 COCCSc1ncccc1F 62a_100000685392_100000233755 [0,2,0,0,0,0|2,0,0]=4 13789 B12R1.267 COCCSc1ncccc1N 62a_100000233755_100000688686 [0,2,0,0,0,0|2,0,0]=4 13790 B12R1.267 COCCSc1ncccc1N 62a_100000688686_100000233755 [0,2,0,0,0,0|2,0,0]=4 13791 B12R1.267 COCCSc1ncccc1O 62a_100000034122_100000233755 [0,2,0,0,0,0|2,0,0]=4 13792 B12R1.267 COCCSc1ncccc1O 62a_100000233755_100000034122 [0,2,0,0,0,0|2,0,0]=4 13793 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,2,0,0,0,0|1,0,0]=3 13794 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,2,0,0,0,0|1,0,0]=3 13795 B12R1.267 COCNCc1cccnc1Br 2230a_100009818023_100000766300 [0,2,0,0,0,0|2,0,0]=4 13796 B12R1.267 COCNCc1cccnc1Cl 2230a_100015189234_100000766300 [0,2,0,0,0,0|2,0,0]=4 13797 B12R1.267 COCNCc1ncccc1Cl 2230a_100015189233_100000766300 [0,2,0,0,0,0|2,0,0]=4 13798 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,2,0,0,0,0|1,0,0]=3 13799 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,2,0,0,0,0|1,0,0]=3 13800 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,2,0,0,0,0|1,0,0]=3 13801 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,2,0,0,0,0|1,0,0]=3 13802 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,2,0,0,0,0|1,0,0]=3 13803 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,2,0,0,0,0|1,0,0]=3 13804 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,2,0,0,0,0|1,0,0]=3 13805 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,2,0,0,0,0|1,0,0]=3 13806 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,2,0,0,0,0|1,0,0]=3 13807 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,2,0,0,0,0|1,0,0]=3 13808 B12R1.267 COCSCc1cccnc1Br 62a_100000766300_100010140945 [0,2,0,0,0,0|2,0,0]=4 13809 B12R1.267 COCSCc1cccnc1Br 62a_100010140945_100000766300 [0,2,0,0,0,0|2,0,0]=4 13810 B12R1.267 COCSCc1cccnc1C 62a_100000732876_100000766300 [0,2,0,0,0,0|2,0,0]=4 13811 B12R1.267 COCSCc1cccnc1C 62a_100000766300_100000732876 [0,2,0,0,0,0|2,0,0]=4 13812 B12R1.267 COCSCc1cccnc1Cl 62a_100000045678_100000766300 [0,2,0,0,0,0|2,0,0]=4 13813 B12R1.267 COCSCc1cccnc1Cl 62a_100000766300_100000045678 [0,2,0,0,0,0|2,0,0]=4 13814 B12R1.267 COCSCc1cccnc1F 62a_100000099810_100000766300 [0,2,0,0,0,0|2,0,0]=4 13815 B12R1.267 COCSCc1cccnc1F 62a_100000766300_100000099810 [0,2,0,0,0,0|2,0,0]=4 13816 B12R1.267 COCSCc1ccncc1C 62a_100000766300_100020672808 [0,2,0,0,0,0|2,0,0]=4 13817 B12R1.267 COCSCc1ccncc1C 62a_100020672808_100000766300 [0,2,0,0,0,0|2,0,0]=4 13818 B12R1.267 COCSCc1ccncc1Cl 62a_100000763264_100000766300 [0,2,0,0,0,0|2,0,0]=4 13819 B12R1.267 COCSCc1ccncc1Cl 62a_100000766300_100000763264 [0,2,0,0,0,0|2,0,0]=4 13820 B12R1.267 COCSCc1cnccc1C 62a_100000690890_100000766300 [0,2,0,0,0,0|2,0,0]=4 13821 B12R1.267 COCSCc1cnccc1C 62a_100000766300_100000690890 [0,2,0,0,0,0|2,0,0]=4 13822 B12R1.267 COCSCc1ncccc1Br 62a_100000766300_100025702911 [0,2,0,0,0,0|2,0,0]=4 13823 B12R1.267 COCSCc1ncccc1Br 62a_100025702911_100000766300 [0,2,0,0,0,0|2,0,0]=4 13824 B12R1.267 COCSCc1ncccc1C 62a_100000696600_100000766300 [0,2,0,0,0,0|2,0,0]=4 13825 B12R1.267 COCSCc1ncccc1C 62a_100000766300_100000696600 [0,2,0,0,0,0|2,0,0]=4 13826 B12R1.267 COCSCc1ncccc1Cl 62a_100000099807_100000766300 [0,2,0,0,0,0|2,0,0]=4 13827 B12R1.267 COCSCc1ncccc1Cl 62a_100000766300_100000099807 [0,2,0,0,0,0|2,0,0]=4 13828 B12R1.267 COCSCc1ncccc1F 62a_100000104219_100000766300 [0,2,0,0,0,0|2,0,0]=4 13829 B12R1.267 COCSCc1ncccc1F 62a_100000766300_100000104219 [0,2,0,0,0,0|2,0,0]=4 13830 B12R1.267 COCSCc1ncccc1O 62a_100000766300_200020655725 [0,2,0,0,0,0|2,0,0]=4 13831 B12R1.267 COCSCc1ncccc1O 62a_200020655725_100000766300 [0,2,0,0,0,0|2,0,0]=4 13832 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,2,0,0,0,0|0,1,0]=3 13833 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,2,0,0,0,0|0,1,0]=3 13834 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [0,2,0,0,0,0|1,1,0]=4 13835 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [0,2,0,0,0,0|1,1,0]=4 13836 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [0,2,0,0,0,0|1,1,0]=4 13837 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [0,2,0,0,0,0|1,1,0]=4 13838 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [0,2,0,0,0,0|1,1,0]=4 13839 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [0,2,0,0,0,0|1,1,0]=4 13840 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,2,0,0,0,0|1,1,0]=4 13841 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,2,0,0,0,0|1,1,0]=4 13842 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,2,0,0,0,0|1,1,0]=4 13843 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,2,0,0,0,0|1,1,0]=4 13844 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,2,0,0,0,0|1,1,0]=4 13845 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,2,0,0,0,0|1,1,0]=4 13846 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,2,0,0,0,0|1,1,0]=4 13847 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,2,0,0,0,0|1,1,0]=4 13848 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,2,0,0,0,0|1,1,0]=4 13849 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,2,0,0,0,0|1,1,0]=4 13850 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,2,0,0,0,0|1,1,0]=4 13851 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,2,0,0,0,0|1,1,0]=4 13852 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,2,0,0,0,0|1,1,0]=4 13853 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,2,0,0,0,0|1,1,0]=4 13854 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,2,0,0,0,0|1,1,0]=4 13855 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,2,0,0,0,0|1,1,0]=4 13856 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,2,0,0,0,0|1,1,0]=4 13857 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,2,0,0,0,0|1,1,0]=4 13858 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [0,2,0,0,0,0|1,1,0]=4 13859 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [0,2,0,0,0,0|1,1,0]=4 13860 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [0,2,0,0,0,0|1,1,0]=4 13861 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [0,2,0,0,0,0|1,1,0]=4 13862 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [0,2,0,0,0,0|1,1,0]=4 13863 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [0,2,0,0,0,0|1,1,0]=4 13864 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [0,2,0,0,0,0|1,1,0]=4 13865 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [0,2,0,0,0,0|1,1,0]=4 13866 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [0,2,0,0,0,0|1,1,0]=4 13867 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [0,2,0,0,0,0|1,1,0]=4 13868 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [0,2,0,0,0,0|1,1,0]=4 13869 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [0,2,0,0,0,0|1,1,0]=4 13870 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,2,0,0,0,0|1,1,0]=4 13871 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,2,0,0,0,0|1,1,0]=4 13872 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,2,0,0,0,0|1,1,0]=4 13873 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,2,0,0,0,0|1,1,0]=4 13874 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,2,0,0,0,0|1,1,0]=4 13875 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,2,0,0,0,0|1,1,0]=4 13876 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,2,0,0,0,0|1,1,0]=4 13877 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,2,0,0,0,0|1,1,0]=4 13878 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,2,0,0,0,0|1,1,0]=4 13879 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,2,0,0,0,0|1,1,0]=4 13880 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,2,0,0,0,0|1,1,0]=4 13881 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,2,0,0,0,0|1,1,0]=4 13882 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,2,0,0,0,0|1,1,0]=4 13883 B12R1.267 CSCSCc1ccccc1Br 62a_100000184730_100011218213 [0,2,0,0,0,0|1,1,0]=4 13884 B12R1.267 CSCSCc1ccccc1Br 62a_100011218213_100000184730 [0,2,0,0,0,0|1,1,0]=4 13885 B12R1.267 CSCSCc1ccccc1C 62a_100000211839_100011218213 [0,2,0,0,0,0|1,1,0]=4 13886 B12R1.267 CSCSCc1ccccc1C 62a_100011218213_100000211839 [0,2,0,0,0,0|1,1,0]=4 13887 B12R1.267 CSCSCc1ccccc1Cl 62a_100000187162_100011218213 [0,2,0,0,0,0|1,1,0]=4 13888 B12R1.267 CSCSCc1ccccc1Cl 62a_100011218213_100000187162 [0,2,0,0,0,0|1,1,0]=4 13889 B12R1.267 CSCSCc1ccccc1F 62a_100000211605_100011218213 [0,2,0,0,0,0|1,1,0]=4 13890 B12R1.267 CSCSCc1ccccc1F 62a_100011218213_100000211605 [0,2,0,0,0,0|1,1,0]=4 13891 B12R1.267 CSCSCc1ccccc1I 62a_100011216222_100011218213 [0,2,0,0,0,0|1,1,0]=4 13892 B12R1.267 CSCSCc1ccccc1I 62a_100011218213_100011216222 [0,2,0,0,0,0|1,1,0]=4 13893 B12R1.267 C[n+]1ccccc1SCCCF 62a_100011934791_100000212160 [0,2,0,0,0,0|2,0,0]=4 13894 B12R1.267 C[n+]1ccccc1SCCCO 62a_100011215043_100000212160 [0,2,0,0,0,0|1,0,0]=3 13895 B12R1.267 Cc1ccccc1C#CCO[13CH3] 34a_200011352491_200025704644 [0,2,0,0,0,0|0,0,2]=4 13896 B12R1.267 Cc1ccccc1C#CCO[13CH3] 7a_200011352491_200025704644 [0,2,0,0,0,0|0,0,2]=4 13897 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,2,0,0,0,0|1,0,0]=3 13898 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,2,0,0,0,0|1,0,0]=3 13899 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,2,0,0,0,0|1,0,0]=3 13900 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,2,0,0,0,0|1,0,0]=3 13901 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,2,0,0,0,0|1,0,0]=3 13902 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,2,0,0,0,0|0,0,2]=4 13903 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,2,0,0,0,0|1,0,0]=3 13904 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,2,0,0,0,0|1,0,0]=3 13905 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,2,0,0,0,0|0,0,0]=2 13906 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,2,0,0,0,0|0,0,0]=2 13907 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,2,0,0,0,0|0,0,0]=2 13908 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,2,0,0,0,0|0,0,0]=2 13909 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,2,0,0,0,0|0,0,0]=2 13910 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [0,2,0,0,0,0|1,0,1]=4 13911 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,2,0,0,0,0|0,0,2]=4 13912 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,2,0,0,0,0|0,0,2]=4 13913 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,2,0,0,0,0|1,0,0]=3 13914 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,2,0,0,0,0|1,0,0]=3 13915 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,2,0,0,0,0|1,0,0]=3 13916 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,2,0,0,0,0|1,0,0]=3 13917 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,2,0,0,0,0|0,0,0]=2 13918 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,2,0,0,0,0|0,0,0]=2 13919 B12R1.267 Cc1ccccc1CSCC#N 62a_100000211839_100011215382 [0,2,0,0,0,0|1,0,1]=4 13920 B12R1.267 Cc1ccccc1CSCC#N 62a_100011215382_100000211839 [0,2,0,0,0,0|1,0,1]=4 13921 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,2,0,0,0,0|0,0,2]=4 13922 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,2,0,0,0,0|0,0,2]=4 13923 B12R1.267 Cc1ccccc1CSCCF 62a_100000211839_100011217306 [0,2,0,0,0,0|1,0,0]=3 13924 B12R1.267 Cc1ccccc1CSCCF 62a_100011217306_100000211839 [0,2,0,0,0,0|1,0,0]=3 13925 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [0,2,0,0,0,0|0,0,0]=2 13926 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [0,2,0,0,0,0|0,0,0]=2 13927 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [0,2,0,0,0,0|1,0,0]=3 13928 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [0,2,0,0,0,0|0,0,0]=2 13929 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [0,2,0,0,0,0|1,0,0]=3 13930 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [0,2,0,0,0,0|1,0,1]=4 13931 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,2,0,0,0,0|1,0,0]=3 13932 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,2,0,0,0,0|1,0,0]=3 13933 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,2,0,0,0,0|0,0,0]=2 13934 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,2,0,0,0,0|0,0,0]=2 13935 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,2,0,0,0,0|2,0,0]=4 13936 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,2,0,0,0,0|2,0,0]=4 13937 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,2,0,0,0,0|1,1,0]=4 13938 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,2,0,0,0,0|1,1,0]=4 13939 B12R1.267 Cc1ccccc1SCCC#N 62a_100000210755_100011215226 [0,2,0,0,0,0|1,0,1]=4 13940 B12R1.267 Cc1ccccc1SCCC#N 62a_100011215226_100000210755 [0,2,0,0,0,0|1,0,1]=4 13941 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [0,2,0,0,0,0|1,0,0]=3 13942 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [0,2,0,0,0,0|1,0,0]=3 13943 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [0,2,0,0,0,0|0,0,0]=2 13944 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [0,2,0,0,0,0|0,0,0]=2 13945 B12R1.267 Cc1cccnc1CCOCF 34a_100011997706_100015361967 [0,2,0,0,0,0|2,0,0]=4 13946 B12R1.267 Cc1cccnc1CCOCF 7a_100011997706_100015361967 [0,2,0,0,0,0|2,0,0]=4 13947 B12R1.267 Cc1cccnc1CNCCF 34a_100000724931_100000696600 [0,2,0,0,0,0|2,0,0]=4 13948 B12R1.267 Cc1cccnc1CNCCF 34a_100011223789_100011217306 [0,2,0,0,0,0|2,0,0]=4 13949 B12R1.267 Cc1cccnc1CNCCO 207a_100000210304_100000698913 [0,2,0,0,0,0|1,0,0]=3 13950 B12R1.267 Cc1cccnc1CNCCO 2230a_100016997473_100000696600 [0,2,0,0,0,0|1,0,0]=3 13951 B12R1.267 Cc1cccnc1CNCCO 270004a_100000210304_100000698913 [0,2,0,0,0,0|1,0,0]=3 13952 B12R1.267 Cc1cccnc1CNCCO 34a_100011223789_100000211926 [0,2,0,0,0,0|1,0,0]=3 13953 B12R1.267 Cc1cccnc1CNCCO 34a_100016990907_100000696600 [0,2,0,0,0,0|1,0,0]=3 13954 B12R1.267 Cc1cccnc1COCCBr 34a_100000211926_100000696600 [0,2,0,0,0,0|2,0,0]=4 13955 B12R1.267 Cc1cccnc1COCCF 34a_100000698912_100011217306 [0,2,0,0,0,0|2,0,0]=4 13956 B12R1.267 Cc1cccnc1COCCN 34a_100000210304_100000696600 [0,2,0,0,0,0|2,0,0]=4 13957 B12R1.267 Cc1cccnc1COCCO 34a_100000698912_100000211926 [0,2,0,0,0,0|1,0,0]=3 13958 B12R1.267 Cc1cccnc1CSCCF 62a_100000696600_100011217306 [0,2,0,0,0,0|2,0,0]=4 13959 B12R1.267 Cc1cccnc1CSCCF 62a_100011217306_100000696600 [0,2,0,0,0,0|2,0,0]=4 13960 B12R1.267 Cc1cccnc1CSCCO 62a_100000211926_100000696600 [0,2,0,0,0,0|1,0,0]=3 13961 B12R1.267 Cc1cccnc1CSCCO 62a_100000696600_100000211926 [0,2,0,0,0,0|1,0,0]=3 13962 B12R1.267 Cc1cccnc1SCCCF 62a_100000751373_100011934791 [0,2,0,0,0,0|2,0,0]=4 13963 B12R1.267 Cc1cccnc1SCCCF 62a_100011934791_100000751373 [0,2,0,0,0,0|2,0,0]=4 13964 B12R1.267 Cc1cccnc1SCCCO 62a_100000751373_100011215043 [0,2,0,0,0,0|1,0,0]=3 13965 B12R1.267 Cc1cccnc1SCCCO 62a_100011215043_100000751373 [0,2,0,0,0,0|1,0,0]=3 13966 B12R1.267 Cc1ccncc1CNCCF 34a_100000724931_100000690890 [0,2,0,0,0,0|2,0,0]=4 13967 B12R1.267 Cc1ccncc1CNCCO 207a_100000210304_100000685662 [0,2,0,0,0,0|1,0,0]=3 13968 B12R1.267 Cc1ccncc1CNCCO 2230a_100016997473_100000690890 [0,2,0,0,0,0|1,0,0]=3 13969 B12R1.267 Cc1ccncc1CNCCO 270004a_100000210304_100000685662 [0,2,0,0,0,0|1,0,0]=3 13970 B12R1.267 Cc1ccncc1CNCCO 34a_100016990907_100000690890 [0,2,0,0,0,0|1,0,0]=3 13971 B12R1.267 Cc1ccncc1COCCBr 34a_100000211926_100000690890 [0,2,0,0,0,0|2,0,0]=4 13972 B12R1.267 Cc1ccncc1COCCF 34a_100011996381_100011217306 [0,2,0,0,0,0|2,0,0]=4 13973 B12R1.267 Cc1ccncc1COCCN 34a_100000210304_100000690890 [0,2,0,0,0,0|2,0,0]=4 13974 B12R1.267 Cc1ccncc1COCCO 34a_100011996381_100000211926 [0,2,0,0,0,0|1,0,0]=3 13975 B12R1.267 Cc1ccncc1CSCCF 62a_100000690890_100011217306 [0,2,0,0,0,0|2,0,0]=4 13976 B12R1.267 Cc1ccncc1CSCCF 62a_100011217306_100000690890 [0,2,0,0,0,0|2,0,0]=4 13977 B12R1.267 Cc1ccncc1CSCCO 62a_100000211926_100000690890 [0,2,0,0,0,0|1,0,0]=3 13978 B12R1.267 Cc1ccncc1CSCCO 62a_100000690890_100000211926 [0,2,0,0,0,0|1,0,0]=3 13979 B12R1.267 Cc1ccncc1OCCCF 34a_100011997053_100011934791 [0,2,0,0,0,0|2,0,0]=4 13980 B12R1.267 Cc1ccncc1OCCCF 7a_100011997053_100011934791 [0,2,0,0,0,0|2,0,0]=4 13981 B12R1.267 Cc1ccncc1OCCCO 34a_100011997053_100000230001 [0,2,0,0,0,0|1,0,0]=3 13982 B12R1.267 Cc1ccncc1OCCCO 7a_100011997053_100011215043 [0,2,0,0,0,0|1,0,0]=3 13983 B12R1.267 Cc1ccncc1SCCCF 62a_100000761580_100011934791 [0,2,0,0,0,0|2,0,0]=4 13984 B12R1.267 Cc1ccncc1SCCCF 62a_100011934791_100000761580 [0,2,0,0,0,0|2,0,0]=4 13985 B12R1.267 Cc1ccncc1SCCCO 62a_100000761580_100011215043 [0,2,0,0,0,0|1,0,0]=3 13986 B12R1.267 Cc1ccncc1SCCCO 62a_100011215043_100000761580 [0,2,0,0,0,0|1,0,0]=3 13987 B12R1.267 Cc1ccnnc1NCCCO 27a_100000182051_100000089043 [0,2,0,0,0,0|2,0,0]=4 13988 B12R1.267 Cc1ccnnc1SCCCO 62a_100011215043_100000089043 [0,2,0,0,0,0|2,0,0]=4 13989 B12R1.267 Cc1cnccc1CNCCF 34a_100000724931_100020672809 [0,2,0,0,0,0|2,0,0]=4 13990 B12R1.267 Cc1cnccc1CNCCO 2230a_100016997473_100020672808 [0,2,0,0,0,0|1,0,0]=3 13991 B12R1.267 Cc1cnccc1CNCCO 34a_100016990907_100020672809 [0,2,0,0,0,0|1,0,0]=3 13992 B12R1.267 Cc1cnccc1COCCBr 34a_100000211926_100020672809 [0,2,0,0,0,0|2,0,0]=4 13993 B12R1.267 Cc1cnccc1COCCF 34a_100011997032_100011217306 [0,2,0,0,0,0|2,0,0]=4 13994 B12R1.267 Cc1cnccc1COCCN 34a_100000210304_100020672809 [0,2,0,0,0,0|2,0,0]=4 13995 B12R1.267 Cc1cnccc1COCCO 34a_100011997032_100000211926 [0,2,0,0,0,0|1,0,0]=3 13996 B12R1.267 Cc1cnccc1CSCCF 62a_100011217306_100020672808 [0,2,0,0,0,0|2,0,0]=4 13997 B12R1.267 Cc1cnccc1CSCCF 62a_100020672808_100011217306 [0,2,0,0,0,0|2,0,0]=4 13998 B12R1.267 Cc1cnccc1CSCCO 62a_100000211926_100020672808 [0,2,0,0,0,0|1,0,0]=3 13999 B12R1.267 Cc1cnccc1CSCCO 62a_100020672808_100000211926 [0,2,0,0,0,0|1,0,0]=3 14000 B12R1.267 Cc1cnccc1NCCCF 27a_100015189416_100000765111 [0,2,0,0,0,0|2,0,0]=4 14001 B12R1.267 Cc1cnccc1NCCCO 27a_100000182051_100000765111 [0,2,0,0,0,0|1,0,0]=3 14002 B12R1.267 Cc1cnccc1OCCCF 34a_100000694293_100011934791 [0,2,0,0,0,0|2,0,0]=4 14003 B12R1.267 Cc1cnccc1OCCCO 34a_100000694293_100000230001 [0,2,0,0,0,0|1,0,0]=3 14004 B12R1.267 Cc1cnccc1SCCCF 62a_100000765111_100011934791 [0,2,0,0,0,0|2,0,0]=4 14005 B12R1.267 Cc1cnccc1SCCCF 62a_100011934791_100000765111 [0,2,0,0,0,0|2,0,0]=4 14006 B12R1.267 Cc1cnccc1SCCCO 62a_100000765111_100011215043 [0,2,0,0,0,0|1,0,0]=3 14007 B12R1.267 Cc1cnccc1SCCCO 62a_100011215043_100000765111 [0,2,0,0,0,0|1,0,0]=3 14008 B12R1.267 Cc1cncnc1NCCCO 27a_100000182051_100011998708 [0,2,0,0,0,0|2,0,0]=4 14009 B12R1.267 Cc1cncnc1SCCCO 62a_100011215043_100011998708 [0,2,0,0,0,0|2,0,0]=4 14010 B12R1.267 Cc1cncnc1SCCCO 62a_100011998708_100011215043 [0,2,0,0,0,0|2,0,0]=4 14011 B12R1.267 Cc1ncccc1CNCCF 34a_100000724931_100000732876 [0,2,0,0,0,0|2,0,0]=4 14012 B12R1.267 Cc1ncccc1CNCCO 207a_100000210304_100000751968 [0,2,0,0,0,0|1,0,0]=3 14013 B12R1.267 Cc1ncccc1CNCCO 2230a_100016997473_100000732876 [0,2,0,0,0,0|1,0,0]=3 14014 B12R1.267 Cc1ncccc1CNCCO 270004a_100000210304_100000751968 [0,2,0,0,0,0|1,0,0]=3 14015 B12R1.267 Cc1ncccc1CNCCO 34a_100016990907_100000732876 [0,2,0,0,0,0|1,0,0]=3 14016 B12R1.267 Cc1ncccc1COCCBr 34a_100000211926_100000732876 [0,2,0,0,0,0|2,0,0]=4 14017 B12R1.267 Cc1ncccc1COCCF 34a_100000729262_100011217306 [0,2,0,0,0,0|2,0,0]=4 14018 B12R1.267 Cc1ncccc1COCCF 7a_100000729262_100011217306 [0,2,0,0,0,0|2,0,0]=4 14019 B12R1.267 Cc1ncccc1COCCN 34a_100000210304_100000732876 [0,2,0,0,0,0|2,0,0]=4 14020 B12R1.267 Cc1ncccc1COCCO 34a_100000729262_100000211926 [0,2,0,0,0,0|1,0,0]=3 14021 B12R1.267 Cc1ncccc1COCCO 7a_100000729262_100000211926 [0,2,0,0,0,0|1,0,0]=3 14022 B12R1.267 Cc1ncccc1CSCCF 62a_100000732876_100011217306 [0,2,0,0,0,0|2,0,0]=4 14023 B12R1.267 Cc1ncccc1CSCCF 62a_100011217306_100000732876 [0,2,0,0,0,0|2,0,0]=4 14024 B12R1.267 Cc1ncccc1CSCCO 62a_100000211926_100000732876 [0,2,0,0,0,0|1,0,0]=3 14025 B12R1.267 Cc1ncccc1CSCCO 62a_100000732876_100000211926 [0,2,0,0,0,0|1,0,0]=3 14026 B12R1.267 Cc1ncccc1OCCCF 34a_100000745507_100011934791 [0,2,0,0,0,0|2,0,0]=4 14027 B12R1.267 Cc1ncccc1OCCCF 7a_100000745507_100011934791 [0,2,0,0,0,0|2,0,0]=4 14028 B12R1.267 Cc1ncccc1OCCCO 34a_100000745507_100000230001 [0,2,0,0,0,0|1,0,0]=3 14029 B12R1.267 Cc1ncccc1OCCCO 7a_100000745507_100011215043 [0,2,0,0,0,0|1,0,0]=3 14030 B12R1.267 Cc1ncccc1SCCCF 62a_100000751574_100011934791 [0,2,0,0,0,0|2,0,0]=4 14031 B12R1.267 Cc1ncccc1SCCCF 62a_100011934791_100000751574 [0,2,0,0,0,0|2,0,0]=4 14032 B12R1.267 Cc1ncccc1SCCCO 62a_100000751574_100011215043 [0,2,0,0,0,0|1,0,0]=3 14033 B12R1.267 Cc1ncccc1SCCCO 62a_100011215043_100000751574 [0,2,0,0,0,0|1,0,0]=3 14034 B12R1.267 Cc1nccnc1CNCCO 2230a_100020641712_100000211926 [0,2,0,0,0,0|2,0,0]=4 14035 B12R1.267 Cc1nccnc1CNCCO 270004a_100000210304_100000050726 [0,2,0,0,0,0|2,0,0]=4 14036 B12R1.267 Cc1nccnc1CNCCO 34a_100020641712_100000211926 [0,2,0,0,0,0|2,0,0]=4 14037 B12R1.267 Cc1nccnc1NCCCO 27a_100000182051_100011999405 [0,2,0,0,0,0|2,0,0]=4 14038 B12R1.267 Cc1nccnc1OCCCO 34a_100000766352_100000230001 [0,2,0,0,0,0|2,0,0]=4 14039 B12R1.267 Cc1nccnc1SCCCO 62a_100011215043_100011999405 [0,2,0,0,0,0|2,0,0]=4 14040 B12R1.267 Cc1nccnc1SCCCO 62a_100011999405_100011215043 [0,2,0,0,0,0|2,0,0]=4 14041 B12R1.267 Cc1ncncc1SCCCO 62a_100009819671_100011215043 [0,2,0,0,0,0|2,0,0]=4 14042 B12R1.267 Cc1ncncc1SCCCO 62a_100011215043_100009819671 [0,2,0,0,0,0|2,0,0]=4 14043 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,2,0,0,0,0|1,0,0]=3 14044 B12R1.267 Clc1ncccc1COCCBr 34a_100000211926_100000045678 [0,2,0,0,0,0|2,0,0]=4 14045 B12R1.267 FCCCNc1ccccc1Br 34a_100000210017_100011934791 [0,2,0,0,0,0|1,0,0]=3 14046 B12R1.267 FCCCNc1ccccc1Cl 34a_100000185783_100011934791 [0,2,0,0,0,0|1,0,0]=3 14047 B12R1.267 FCCCNc1ccccc1F 34a_100000210422_100011934791 [0,2,0,0,0,0|1,0,0]=3 14048 B12R1.267 FCCCNc1ccccc1I 34a_100000210053_100011934791 [0,2,0,0,0,0|1,0,0]=3 14049 B12R1.267 FCCCNc1ccncc1Br 27a_100015189416_100000726257 [0,2,0,0,0,0|2,0,0]=4 14050 B12R1.267 FCCCNc1ccncc1F 27a_100015189416_100000035921 [0,2,0,0,0,0|2,0,0]=4 14051 B12R1.267 FCCCNc1ncccc1Br 27a_100015189416_100000696092 [0,2,0,0,0,0|2,0,0]=4 14052 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,2,0,0,0,0|1,0,0]=3 14053 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,2,0,0,0,0|1,0,0]=3 14054 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,2,0,0,0,0|1,0,0]=3 14055 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,2,0,0,0,0|1,0,0]=3 14056 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,2,0,0,0,0|1,0,0]=3 14057 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,2,0,0,0,0|1,0,0]=3 14058 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,2,0,0,0,0|1,0,0]=3 14059 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,2,0,0,0,0|1,0,0]=3 14060 B12R1.267 FCCCOc1cccnc1Br 34a_100000744436_100011934791 [0,2,0,0,0,0|2,0,0]=4 14061 B12R1.267 FCCCOc1cccnc1Br 7a_100000744436_100011934791 [0,2,0,0,0,0|2,0,0]=4 14062 B12R1.267 FCCCOc1cccnc1Cl 34a_100000757616_100011934791 [0,2,0,0,0,0|2,0,0]=4 14063 B12R1.267 FCCCOc1cccnc1Cl 7a_100000757616_100011934791 [0,2,0,0,0,0|2,0,0]=4 14064 B12R1.267 FCCCOc1cccnc1F 34a_100000061740_100011934791 [0,2,0,0,0,0|2,0,0]=4 14065 B12R1.267 FCCCOc1cccnc1F 7a_100000061740_100011934791 [0,2,0,0,0,0|2,0,0]=4 14066 B12R1.267 FCCCOc1cccnc1I 34a_100000034122_100011934791 [0,2,0,0,0,0|2,0,0]=4 14067 B12R1.267 FCCCOc1cccnc1I 7a_100000034122_100011934791 [0,2,0,0,0,0|2,0,0]=4 14068 B12R1.267 FCCCOc1ccncc1Br 34a_100011996408_100011934791 [0,2,0,0,0,0|2,0,0]=4 14069 B12R1.267 FCCCOc1ccncc1Cl 34a_100011997054_100011934791 [0,2,0,0,0,0|2,0,0]=4 14070 B12R1.267 FCCCOc1ccncc1F 34a_200000081243_100011934791 [0,2,0,0,0,0|2,0,0]=4 14071 B12R1.267 FCCCOc1cnccc1Cl 34a_100011996695_100011934791 [0,2,0,0,0,0|2,0,0]=4 14072 B12R1.267 FCCCOc1cnccc1I 34a_100000050107_100011934791 [0,2,0,0,0,0|2,0,0]=4 14073 B12R1.267 FCCCOc1ncccc1Cl 34a_100011290957_100011934791 [0,2,0,0,0,0|2,0,0]=4 14074 B12R1.267 FCCCOc1ncccc1F 34a_100011219419_100011934791 [0,2,0,0,0,0|2,0,0]=4 14075 B12R1.267 FCCCSc1c[nH]ccc1=S 62a_100011934791_200012280681 [0,2,0,0,0,0|2,0,0]=4 14076 B12R1.267 FCCCSc1c[nH]ccc1=S 62a_200012280681_100011934791 [0,2,0,0,0,0|2,0,0]=4 14077 B12R1.267 FCCCSc1ccccc1Br 62a_100000695589_100011934791 [0,2,0,0,0,0|1,0,0]=3 14078 B12R1.267 FCCCSc1ccccc1Br 62a_100011934791_100000695589 [0,2,0,0,0,0|1,0,0]=3 14079 B12R1.267 FCCCSc1ccccc1Cl 62a_100000764095_100011934791 [0,2,0,0,0,0|1,0,0]=3 14080 B12R1.267 FCCCSc1ccccc1Cl 62a_100011934791_100000764095 [0,2,0,0,0,0|1,0,0]=3 14081 B12R1.267 FCCCSc1ccccc1F 62a_100011215700_100011934791 [0,2,0,0,0,0|1,0,0]=3 14082 B12R1.267 FCCCSc1ccccc1F 62a_100011934791_100011215700 [0,2,0,0,0,0|1,0,0]=3 14083 B12R1.267 FCCCSc1cccnc1Br 62a_100010202626_100011934791 [0,2,0,0,0,0|2,0,0]=4 14084 B12R1.267 FCCCSc1cccnc1Br 62a_100011934791_100010202626 [0,2,0,0,0,0|2,0,0]=4 14085 B12R1.267 FCCCSc1cccnc1Cl 62a_100000036424_100011934791 [0,2,0,0,0,0|2,0,0]=4 14086 B12R1.267 FCCCSc1cccnc1Cl 62a_100011934791_100000036424 [0,2,0,0,0,0|2,0,0]=4 14087 B12R1.267 FCCCSc1cccnc1F 62a_100009816115_100011934791 [0,2,0,0,0,0|2,0,0]=4 14088 B12R1.267 FCCCSc1cccnc1F 62a_100011934791_100009816115 [0,2,0,0,0,0|2,0,0]=4 14089 B12R1.267 FCCCSc1ccncc1Br 62a_100000726257_100011934791 [0,2,0,0,0,0|2,0,0]=4 14090 B12R1.267 FCCCSc1ccncc1Br 62a_100011934791_100000726257 [0,2,0,0,0,0|2,0,0]=4 14091 B12R1.267 FCCCSc1ccncc1Cl 62a_100000708259_100011934791 [0,2,0,0,0,0|2,0,0]=4 14092 B12R1.267 FCCCSc1ccncc1Cl 62a_100011934791_100000708259 [0,2,0,0,0,0|2,0,0]=4 14093 B12R1.267 FCCCSc1ccncc1F 62a_100000047030_100011934791 [0,2,0,0,0,0|2,0,0]=4 14094 B12R1.267 FCCCSc1ccncc1F 62a_100011934791_100000047030 [0,2,0,0,0,0|2,0,0]=4 14095 B12R1.267 FCCCSc1cnccc1Br 62a_100010138639_100011934791 [0,2,0,0,0,0|2,0,0]=4 14096 B12R1.267 FCCCSc1cnccc1Br 62a_100011934791_100010138639 [0,2,0,0,0,0|2,0,0]=4 14097 B12R1.267 FCCCSc1cnccc1Cl 62a_100009995489_100011934791 [0,2,0,0,0,0|2,0,0]=4 14098 B12R1.267 FCCCSc1cnccc1Cl 62a_100011934791_100009995489 [0,2,0,0,0,0|2,0,0]=4 14099 B12R1.267 FCCCSc1cnccc1F 62a_100009820683_100011934791 [0,2,0,0,0,0|2,0,0]=4 14100 B12R1.267 FCCCSc1cnccc1F 62a_100011934791_100009820683 [0,2,0,0,0,0|2,0,0]=4 14101 B12R1.267 FCCCSc1ncccc1Br 62a_100000696092_100011934791 [0,2,0,0,0,0|2,0,0]=4 14102 B12R1.267 FCCCSc1ncccc1Br 62a_100011934791_100000696092 [0,2,0,0,0,0|2,0,0]=4 14103 B12R1.267 FCCCSc1ncccc1Cl 62a_100011356963_100011934791 [0,2,0,0,0,0|2,0,0]=4 14104 B12R1.267 FCCCSc1ncccc1Cl 62a_100011934791_100011356963 [0,2,0,0,0,0|2,0,0]=4 14105 B12R1.267 FCCCSc1ncccc1F 62a_100000685392_100011934791 [0,2,0,0,0,0|2,0,0]=4 14106 B12R1.267 FCCCSc1ncccc1F 62a_100011934791_100000685392 [0,2,0,0,0,0|2,0,0]=4 14107 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,2,0,0,0,0|1,0,0]=3 14108 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,2,0,0,0,0|1,0,0]=3 14109 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,2,0,0,0,0|1,0,0]=3 14110 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,2,0,0,0,0|1,0,0]=3 14111 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,2,0,0,0,0|1,0,0]=3 14112 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,2,0,0,0,0|1,0,0]=3 14113 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,2,0,0,0,0|1,0,0]=3 14114 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,2,0,0,0,0|1,0,0]=3 14115 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,2,0,0,0,0|1,0,0]=3 14116 B12R1.267 FCCNCc1cccnc1Br 2230a_100009818023_100011217306 [0,2,0,0,0,0|2,0,0]=4 14117 B12R1.267 FCCNCc1cccnc1Br 34a_100000724931_100010140945 [0,2,0,0,0,0|2,0,0]=4 14118 B12R1.267 FCCNCc1cccnc1Br 34a_100009818023_100011217306 [0,2,0,0,0,0|2,0,0]=4 14119 B12R1.267 FCCNCc1cccnc1Cl 2230a_100015189234_100011217306 [0,2,0,0,0,0|2,0,0]=4 14120 B12R1.267 FCCNCc1cccnc1Cl 34a_100000724931_100000045678 [0,2,0,0,0,0|2,0,0]=4 14121 B12R1.267 FCCNCc1cccnc1Cl 34a_100015189234_100011217306 [0,2,0,0,0,0|2,0,0]=4 14122 B12R1.267 FCCNCc1cccnc1F 34a_100000724633_100011217306 [0,2,0,0,0,0|2,0,0]=4 14123 B12R1.267 FCCNCc1cccnc1F 34a_100000724931_100000099810 [0,2,0,0,0,0|2,0,0]=4 14124 B12R1.267 FCCNCc1ccncc1F 34a_100011935246_100011217306 [0,2,0,0,0,0|2,0,0]=4 14125 B12R1.267 FCCNCc1ncccc1Br 34a_100000724931_100025702911 [0,2,0,0,0,0|2,0,0]=4 14126 B12R1.267 FCCNCc1ncccc1Cl 2230a_100015189233_100011217306 [0,2,0,0,0,0|2,0,0]=4 14127 B12R1.267 FCCNCc1ncccc1F 34a_100000690088_100011217306 [0,2,0,0,0,0|2,0,0]=4 14128 B12R1.267 FCCNCc1ncccc1F 34a_100000724931_100000104219 [0,2,0,0,0,0|2,0,0]=4 14129 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,2,0,0,0,0|1,0,0]=3 14130 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,2,0,0,0,0|1,0,0]=3 14131 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,2,0,0,0,0|1,0,0]=3 14132 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,2,0,0,0,0|1,0,0]=3 14133 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,2,0,0,0,0|1,0,0]=3 14134 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,2,0,0,0,0|1,0,0]=3 14135 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,2,0,0,0,0|1,0,0]=3 14136 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,2,0,0,0,0|1,0,0]=3 14137 B12R1.267 FCCOCc1cccnc1Br 34a_100000719692_100011217306 [0,2,0,0,0,0|2,0,0]=4 14138 B12R1.267 FCCOCc1cccnc1Br 7a_100000719692_100011217306 [0,2,0,0,0,0|2,0,0]=4 14139 B12R1.267 FCCOCc1cccnc1Cl 34a_100000748726_100011217306 [0,2,0,0,0,0|2,0,0]=4 14140 B12R1.267 FCCOCc1cccnc1Cl 7a_100000748726_100011217306 [0,2,0,0,0,0|2,0,0]=4 14141 B12R1.267 FCCOCc1cccnc1F 34a_100000079888_100011217306 [0,2,0,0,0,0|2,0,0]=4 14142 B12R1.267 FCCOCc1cccnc1F 7a_100000079888_100011217306 [0,2,0,0,0,0|2,0,0]=4 14143 B12R1.267 FCCOCc1ccncc1F 34a_100012172863_100011217306 [0,2,0,0,0,0|2,0,0]=4 14144 B12R1.267 FCCOCc1cnccc1Cl 34a_100000117392_100011217306 [0,2,0,0,0,0|2,0,0]=4 14145 B12R1.267 FCCOCc1ncccc1Br 34a_100011996772_100011217306 [0,2,0,0,0,0|2,0,0]=4 14146 B12R1.267 FCCOCc1ncccc1Cl 34a_100012002383_100011217306 [0,2,0,0,0,0|2,0,0]=4 14147 B12R1.267 FCCOCc1ncccc1F 34a_100011934865_100011217306 [0,2,0,0,0,0|2,0,0]=4 14148 B12R1.267 FCCSCc1ccccc1Br 62a_100000184730_100011217306 [0,2,0,0,0,0|1,0,0]=3 14149 B12R1.267 FCCSCc1ccccc1Br 62a_100011217306_100000184730 [0,2,0,0,0,0|1,0,0]=3 14150 B12R1.267 FCCSCc1ccccc1Cl 62a_100000187162_100011217306 [0,2,0,0,0,0|1,0,0]=3 14151 B12R1.267 FCCSCc1ccccc1Cl 62a_100011217306_100000187162 [0,2,0,0,0,0|1,0,0]=3 14152 B12R1.267 FCCSCc1ccccc1F 62a_100000211605_100011217306 [0,2,0,0,0,0|1,0,0]=3 14153 B12R1.267 FCCSCc1ccccc1F 62a_100011217306_100000211605 [0,2,0,0,0,0|1,0,0]=3 14154 B12R1.267 FCCSCc1ccccc1I 62a_100011216222_100011217306 [0,2,0,0,0,0|1,0,0]=3 14155 B12R1.267 FCCSCc1ccccc1I 62a_100011217306_100011216222 [0,2,0,0,0,0|1,0,0]=3 14156 B12R1.267 FCCSCc1cccnc1Br 62a_100010140945_100011217306 [0,2,0,0,0,0|2,0,0]=4 14157 B12R1.267 FCCSCc1cccnc1Br 62a_100011217306_100010140945 [0,2,0,0,0,0|2,0,0]=4 14158 B12R1.267 FCCSCc1cccnc1Cl 62a_100000045678_100011217306 [0,2,0,0,0,0|2,0,0]=4 14159 B12R1.267 FCCSCc1cccnc1Cl 62a_100011217306_100000045678 [0,2,0,0,0,0|2,0,0]=4 14160 B12R1.267 FCCSCc1cccnc1F 62a_100000099810_100011217306 [0,2,0,0,0,0|2,0,0]=4 14161 B12R1.267 FCCSCc1cccnc1F 62a_100011217306_100000099810 [0,2,0,0,0,0|2,0,0]=4 14162 B12R1.267 FCCSCc1ccncc1Cl 62a_100000763264_100011217306 [0,2,0,0,0,0|2,0,0]=4 14163 B12R1.267 FCCSCc1ccncc1Cl 62a_100011217306_100000763264 [0,2,0,0,0,0|2,0,0]=4 14164 B12R1.267 FCCSCc1ncccc1Br 62a_100011217306_100025702911 [0,2,0,0,0,0|2,0,0]=4 14165 B12R1.267 FCCSCc1ncccc1Br 62a_100025702911_100011217306 [0,2,0,0,0,0|2,0,0]=4 14166 B12R1.267 FCCSCc1ncccc1Cl 62a_100000099807_100011217306 [0,2,0,0,0,0|2,0,0]=4 14167 B12R1.267 FCCSCc1ncccc1Cl 62a_100011217306_100000099807 [0,2,0,0,0,0|2,0,0]=4 14168 B12R1.267 FCCSCc1ncccc1F 62a_100000104219_100011217306 [0,2,0,0,0,0|2,0,0]=4 14169 B12R1.267 FCCSCc1ncccc1F 62a_100011217306_100000104219 [0,2,0,0,0,0|2,0,0]=4 14170 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,2,0,0,0,0|1,0,0]=3 14171 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,2,0,0,0,0|1,0,0]=3 14172 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,2,0,0,0,0|1,0,0]=3 14173 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [0,2,0,0,0,0|1,0,0]=3 14174 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [0,2,0,0,0,0|1,0,0]=3 14175 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [0,2,0,0,0,0|1,0,0]=3 14176 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [0,2,0,0,0,0|1,0,0]=3 14177 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [0,2,0,0,0,0|1,0,0]=3 14178 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [0,2,0,0,0,0|1,0,0]=3 14179 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [0,2,0,0,0,0|1,0,0]=3 14180 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [0,2,0,0,0,0|1,0,0]=3 14181 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [0,2,0,0,0,0|1,0,0]=3 14182 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [0,2,0,0,0,0|1,0,0]=3 14183 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [0,2,0,0,0,0|1,0,0]=3 14184 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [0,2,0,0,0,0|1,0,0]=3 14185 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [0,2,0,0,0,0|1,0,0]=3 14186 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [0,2,0,0,0,0|1,0,0]=3 14187 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,2,0,0,0,0|1,0,0]=3 14188 B12R1.267 Fc1cccnc1COCCBr 34a_100000211926_100000104219 [0,2,0,0,0,0|2,0,0]=4 14189 B12R1.267 Fc1ncccc1COCCBr 34a_100000211926_100000099810 [0,2,0,0,0,0|2,0,0]=4 14190 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [0,2,0,0,0,0|1,0,1]=4 14191 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [0,2,0,0,0,0|1,0,1]=4 14192 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [0,2,0,0,0,0|1,0,1]=4 14193 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [0,2,0,0,0,0|1,0,1]=4 14194 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [0,2,0,0,0,0|1,0,1]=4 14195 B12R1.267 N#CCCSc1ccccc1Br 62a_100000695589_100011215226 [0,2,0,0,0,0|1,0,1]=4 14196 B12R1.267 N#CCCSc1ccccc1Br 62a_100011215226_100000695589 [0,2,0,0,0,0|1,0,1]=4 14197 B12R1.267 N#CCCSc1ccccc1Cl 62a_100000764095_100011215226 [0,2,0,0,0,0|1,0,1]=4 14198 B12R1.267 N#CCCSc1ccccc1Cl 62a_100011215226_100000764095 [0,2,0,0,0,0|1,0,1]=4 14199 B12R1.267 N#CCCSc1ccccc1F 62a_100011215226_100011215700 [0,2,0,0,0,0|1,0,1]=4 14200 B12R1.267 N#CCCSc1ccccc1F 62a_100011215700_100011215226 [0,2,0,0,0,0|1,0,1]=4 14201 B12R1.267 N#CCCSc1ccccc1N 62a_100000210017_100011215226 [0,2,0,0,0,0|1,0,1]=4 14202 B12R1.267 N#CCCSc1ccccc1N 62a_100011215226_100000210017 [0,2,0,0,0,0|1,0,1]=4 14203 B12R1.267 N#CCCSc1ccccc1O 62a_100000739446_100011215226 [0,2,0,0,0,0|1,0,1]=4 14204 B12R1.267 N#CCCSc1ccccc1O 62a_100011215226_100000739446 [0,2,0,0,0,0|1,0,1]=4 14205 B12R1.267 N#CCNCc1ccccc1Br 2230a_100000689332_100011215382 [0,2,0,0,0,0|1,0,1]=4 14206 B12R1.267 N#CCNCc1ccccc1Cl 2230a_100000174879_100011215382 [0,2,0,0,0,0|1,0,1]=4 14207 B12R1.267 N#CCOCc1ccccc1Br 7a_100000756307_100011215382 [0,2,0,0,0,0|1,0,1]=4 14208 B12R1.267 N#CCOCc1ccccc1Cl 7a_100000210847_100011215382 [0,2,0,0,0,0|1,0,1]=4 14209 B12R1.267 N#CCOCc1ccccc1F 7a_100000211962_100011215382 [0,2,0,0,0,0|1,0,1]=4 14210 B12R1.267 N#CCOCc1ccccc1I 7a_100000187465_100011215382 [0,2,0,0,0,0|1,0,1]=4 14211 B12R1.267 N#CCSCc1ccccc1Br 62a_100000184730_100011215382 [0,2,0,0,0,0|1,0,1]=4 14212 B12R1.267 N#CCSCc1ccccc1Br 62a_100011215382_100000184730 [0,2,0,0,0,0|1,0,1]=4 14213 B12R1.267 N#CCSCc1ccccc1Cl 62a_100000187162_100011215382 [0,2,0,0,0,0|1,0,1]=4 14214 B12R1.267 N#CCSCc1ccccc1Cl 62a_100011215382_100000187162 [0,2,0,0,0,0|1,0,1]=4 14215 B12R1.267 N#CCSCc1ccccc1F 62a_100000211605_100011215382 [0,2,0,0,0,0|1,0,1]=4 14216 B12R1.267 N#CCSCc1ccccc1F 62a_100011215382_100000211605 [0,2,0,0,0,0|1,0,1]=4 14217 B12R1.267 N#CCSCc1ccccc1I 62a_100011215382_100011216222 [0,2,0,0,0,0|1,0,1]=4 14218 B12R1.267 N#CCSCc1ccccc1I 62a_100011216222_100011215382 [0,2,0,0,0,0|1,0,1]=4 14219 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,2,0,0,0,0|1,0,0]=3 14220 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,2,0,0,0,0|1,0,0]=3 14221 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,2,0,0,0,0|1,0,0]=3 14222 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,2,0,0,0,0|1,0,0]=3 14223 B12R1.267 NCCOCc1cccnc1Br 34a_100000210304_100010140945 [0,2,0,0,0,0|2,0,0]=4 14224 B12R1.267 NCCOCc1cccnc1Cl 34a_100000210304_100000045678 [0,2,0,0,0,0|2,0,0]=4 14225 B12R1.267 NCCOCc1cccnc1F 34a_100000210304_100000099810 [0,2,0,0,0,0|2,0,0]=4 14226 B12R1.267 NCCOCc1ncccc1Br 34a_100000210304_100025702911 [0,2,0,0,0,0|2,0,0]=4 14227 B12R1.267 NCCOCc1ncccc1F 34a_100000210304_100000104219 [0,2,0,0,0,0|2,0,0]=4 14228 B12R1.267 NCCOCc1ncccc1O 34a_100000210304_200020655725 [0,2,0,0,0,0|2,0,0]=4 14229 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [0,2,0,0,0,0|1,0,0]=3 14230 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,2,0,0,0,0|0,0,2]=4 14231 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,2,0,0,0,0|1,0,0]=3 14232 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,2,0,0,0,0|0,0,0]=2 14233 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|1,0,0]=3 14234 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,2,0,0,0,0|1,0,0]=3 14235 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,2,0,0,0,0|0,0,0]=2 14236 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,2,0,0,0,0|0,0,0]=2 14237 B12R1.267 Nc1ccccc1SCCCF 62a_100000210017_100011934791 [0,2,0,0,0,0|1,0,0]=3 14238 B12R1.267 Nc1ccccc1SCCCF 62a_100011934791_100000210017 [0,2,0,0,0,0|1,0,0]=3 14239 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [0,2,0,0,0,0|0,0,0]=2 14240 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [0,2,0,0,0,0|0,0,0]=2 14241 B12R1.267 Nc1cccnc1COCCF 34a_114873767017_100011217306 [0,2,0,0,0,0|2,0,0]=4 14242 B12R1.267 Nc1cccnc1COCCO 34a_114873767017_100000211926 [0,2,0,0,0,0|1,0,0]=3 14243 B12R1.267 Nc1cccnc1OCCCF 34a_100000746358_100011934791 [0,2,0,0,0,0|2,0,0]=4 14244 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [0,2,0,0,0,0|1,0,0]=3 14245 B12R1.267 Nc1cccnc1SCCCF 62a_100000688686_100011934791 [0,2,0,0,0,0|2,0,0]=4 14246 B12R1.267 Nc1cccnc1SCCCF 62a_100011934791_100000688686 [0,2,0,0,0,0|2,0,0]=4 14247 B12R1.267 Nc1cccnc1SCCCO 62a_100000688686_100011215043 [0,2,0,0,0,0|1,0,0]=3 14248 B12R1.267 Nc1cccnc1SCCCO 62a_100011215043_100000688686 [0,2,0,0,0,0|1,0,0]=3 14249 B12R1.267 Nc1ccncc1OCCCF 34a_100000753702_100011934791 [0,2,0,0,0,0|2,0,0]=4 14250 B12R1.267 Nc1ccncc1OCCCO 34a_100000753702_100000230001 [0,2,0,0,0,0|1,0,0]=3 14251 B12R1.267 Nc1ccncc1SCCCF 62a_100000047001_100011934791 [0,2,0,0,0,0|2,0,0]=4 14252 B12R1.267 Nc1ccncc1SCCCF 62a_100011934791_100000047001 [0,2,0,0,0,0|2,0,0]=4 14253 B12R1.267 Nc1ccncc1SCCCO 62a_100000047001_100011215043 [0,2,0,0,0,0|1,0,0]=3 14254 B12R1.267 Nc1ccncc1SCCCO 62a_100011215043_100000047001 [0,2,0,0,0,0|1,0,0]=3 14255 B12R1.267 Nc1cnccc1SCCCF 62a_100000756074_100011934791 [0,2,0,0,0,0|2,0,0]=4 14256 B12R1.267 Nc1cnccc1SCCCF 62a_100011934791_100000756074 [0,2,0,0,0,0|2,0,0]=4 14257 B12R1.267 Nc1cnccc1SCCCO 62a_100000756074_100011215043 [0,2,0,0,0,0|1,0,0]=3 14258 B12R1.267 Nc1cnccc1SCCCO 62a_100011215043_100000756074 [0,2,0,0,0,0|1,0,0]=3 14259 B12R1.267 Nc1cncnc1NCCCO 27a_100000182051_100000709731 [0,2,0,0,0,0|2,0,0]=4 14260 B12R1.267 Nc1cncnc1SCCCO 62a_100000709731_100011215043 [0,2,0,0,0,0|2,0,0]=4 14261 B12R1.267 Nc1cncnc1SCCCO 62a_100011215043_100000709731 [0,2,0,0,0,0|2,0,0]=4 14262 B12R1.267 Nc1cnncc1SCCCO 62a_100009829405_100011215043 [0,2,0,0,0,0|2,0,0]=4 14263 B12R1.267 Nc1cnncc1SCCCO 62a_100011215043_100009829405 [0,2,0,0,0,0|2,0,0]=4 14264 B12R1.267 Nc1ncccc1OCCCF 34a_100000211975_100011934791 [0,2,0,0,0,0|2,0,0]=4 14265 B12R1.267 Nc1ncccc1OCCCF 7a_100000211975_100011934791 [0,2,0,0,0,0|2,0,0]=4 14266 B12R1.267 Nc1ncccc1OCCCO 34a_100000211975_100000230001 [0,2,0,0,0,0|1,0,0]=3 14267 B12R1.267 Nc1ncccc1OCCCO 7a_100000211975_100011215043 [0,2,0,0,0,0|1,0,0]=3 14268 B12R1.267 Nc1ncccc1SCCCF 62a_100000045569_100011934791 [0,2,0,0,0,0|2,0,0]=4 14269 B12R1.267 Nc1ncccc1SCCCF 62a_100011934791_100000045569 [0,2,0,0,0,0|2,0,0]=4 14270 B12R1.267 Nc1ncccc1SCCCO 62a_100000045569_100011215043 [0,2,0,0,0,0|1,0,0]=3 14271 B12R1.267 Nc1ncccc1SCCCO 62a_100011215043_100000045569 [0,2,0,0,0,0|1,0,0]=3 14272 B12R1.267 Nc1nccnc1SCCCO 62a_100000747729_100011215043 [0,2,0,0,0,0|2,0,0]=4 14273 B12R1.267 Nc1nccnc1SCCCO 62a_100011215043_100000747729 [0,2,0,0,0,0|2,0,0]=4 14274 B12R1.267 Nc1ncncc1OCCCO 7a_100000112926_100011215043 [0,2,0,0,0,0|2,0,0]=4 14275 B12R1.267 Nc1ncncc1SCCCO 62a_100011215043_100011996079 [0,2,0,0,0,0|2,0,0]=4 14276 B12R1.267 Nc1ncncc1SCCCO 62a_100011996079_100011215043 [0,2,0,0,0,0|2,0,0]=4 14277 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,2,0,0,0,0|0,0,2]=4 14278 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,2,0,0,0,0|0,0,2]=4 14279 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,2,0,0,0,0|0,0,2]=4 14280 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,2,0,0,0,0|0,0,2]=4 14281 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,2,0,0,0,0|0,0,2]=4 14282 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,2,0,0,0,0|0,0,2]=4 14283 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,2,0,0,0,0|0,0,2]=4 14284 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,2,0,0,0,0|0,0,2]=4 14285 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,2,0,0,0,0|0,0,2]=4 14286 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,2,0,0,0,0|0,0,2]=4 14287 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,2,0,0,0,0|0,0,2]=4 14288 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,2,0,0,0,0|0,0,2]=4 14289 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,2,0,0,0,0|0,0,2]=4 14290 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,2,0,0,0,0|0,0,2]=4 14291 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,2,0,0,0,0|0,0,2]=4 14292 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,2,0,0,0,0|0,0,2]=4 14293 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,2,0,0,0,0|0,0,2]=4 14294 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,2,0,0,0,0|0,0,2]=4 14295 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,2,0,0,0,0|0,0,2]=4 14296 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,2,0,0,0,0|0,0,2]=4 14297 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,2,0,0,0,0|0,0,2]=4 14298 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,2,0,0,0,0|0,0,2]=4 14299 B12R1.267 O=c1[nH]ccnc1SCCCO 62a_100011215043_100000763361 [0,2,0,0,0,0|2,0,0]=4 14300 B12R1.267 O=c1[nH]nccc1NCCCO 27a_100000182051_100000087129 [0,2,0,0,0,0|2,0,0]=4 14301 B12R1.267 O=c1[nH]nccc1SCCCO 62a_100011215043_100000087129 [0,2,0,0,0,0|2,0,0]=4 14302 B12R1.267 O=c1cc[nH]cc1SCCCF 62a_100009998708_100011934791 [0,2,0,0,0,0|2,0,0]=4 14303 B12R1.267 O=c1cc[nH]cc1SCCCF 62a_100011934791_100009998708 [0,2,0,0,0,0|2,0,0]=4 14304 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100009998708_100011215043 [0,2,0,0,0,0|1,0,0]=3 14305 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100011215043_100009998708 [0,2,0,0,0,0|1,0,0]=3 14306 B12R1.267 O=c1ccocc1OCCCF 34a_100000060831_100011934791 [0,2,0,0,0,0|2,0,0]=4 14307 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [0,2,0,0,0,0|1,0,0]=3 14308 B12R1.267 O=c1occcc1OCCCF 34a_100000077404_100011934791 [0,2,0,0,0,0|2,0,0]=4 14309 B12R1.267 O=c1occcc1OCCCF 7a_100000077404_100011934791 [0,2,0,0,0,0|2,0,0]=4 14310 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [0,2,0,0,0,0|1,0,0]=3 14311 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [0,2,0,0,0,0|1,0,0]=3 14312 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,2,0,0,0,0|0,0,0]=2 14313 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [0,2,0,0,0,0|0,0,0]=2 14314 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [0,2,0,0,0,0|0,0,0]=2 14315 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [0,2,0,0,0,0|0,0,0]=2 14316 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [0,2,0,0,0,0|0,0,0]=2 14317 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [0,2,0,0,0,0|0,0,0]=2 14318 B12R1.267 OCCCNc1ccncc1Br 27a_100000182051_100000726257 [0,2,0,0,0,0|1,0,0]=3 14319 B12R1.267 OCCCNc1ccncc1F 27a_100000182051_100000035921 [0,2,0,0,0,0|1,0,0]=3 14320 B12R1.267 OCCCNc1ncccc1Br 27a_100000182051_100000696092 [0,2,0,0,0,0|1,0,0]=3 14321 B12R1.267 OCCCNc1nccnc1F 27a_100000182051_200010125657 [0,2,0,0,0,0|2,0,0]=4 14322 B12R1.267 OCCCNc1ncncc1F 27a_100000182051_100000069762 [0,2,0,0,0,0|2,0,0]=4 14323 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,2,0,0,0,0|0,0,0]=2 14324 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,2,0,0,0,0|0,0,0]=2 14325 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,2,0,0,0,0|0,0,0]=2 14326 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,2,0,0,0,0|0,0,0]=2 14327 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,2,0,0,0,0|0,0,0]=2 14328 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,2,0,0,0,0|0,0,0]=2 14329 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,2,0,0,0,0|0,0,0]=2 14330 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,2,0,0,0,0|0,0,0]=2 14331 B12R1.267 OCCCOc1cccnc1Br 34a_100000744436_100000230001 [0,2,0,0,0,0|1,0,0]=3 14332 B12R1.267 OCCCOc1cccnc1Br 7a_100000744436_100011215043 [0,2,0,0,0,0|1,0,0]=3 14333 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [0,2,0,0,0,0|1,0,0]=3 14334 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [0,2,0,0,0,0|1,0,0]=3 14335 B12R1.267 OCCCOc1cccnc1F 34a_100000061740_100000230001 [0,2,0,0,0,0|1,0,0]=3 14336 B12R1.267 OCCCOc1cccnc1F 7a_100000061740_100011215043 [0,2,0,0,0,0|1,0,0]=3 14337 B12R1.267 OCCCOc1cccnc1I 34a_100000034122_100000230001 [0,2,0,0,0,0|1,0,0]=3 14338 B12R1.267 OCCCOc1cccnc1I 7a_100000034122_100011215043 [0,2,0,0,0,0|1,0,0]=3 14339 B12R1.267 OCCCOc1ccncc1Br 34a_100011996408_100000230001 [0,2,0,0,0,0|1,0,0]=3 14340 B12R1.267 OCCCOc1ccncc1Cl 34a_100011997054_100000230001 [0,2,0,0,0,0|1,0,0]=3 14341 B12R1.267 OCCCOc1ccncc1F 34a_200000081243_100000230001 [0,2,0,0,0,0|1,0,0]=3 14342 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [0,2,0,0,0,0|1,0,0]=3 14343 B12R1.267 OCCCOc1cnccc1I 34a_100000050107_100000230001 [0,2,0,0,0,0|1,0,0]=3 14344 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [0,2,0,0,0,0|1,0,0]=3 14345 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [0,2,0,0,0,0|1,0,0]=3 14346 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_100011215043_200012280681 [0,2,0,0,0,0|1,0,0]=3 14347 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_200012280681_100011215043 [0,2,0,0,0,0|1,0,0]=3 14348 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [0,2,0,0,0,0|0,0,0]=2 14349 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [0,2,0,0,0,0|0,0,0]=2 14350 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [0,2,0,0,0,0|0,0,0]=2 14351 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [0,2,0,0,0,0|0,0,0]=2 14352 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [0,2,0,0,0,0|0,0,0]=2 14353 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [0,2,0,0,0,0|0,0,0]=2 14354 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [0,2,0,0,0,0|0,0,0]=2 14355 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [0,2,0,0,0,0|0,0,0]=2 14356 B12R1.267 OCCCSc1cccnc1Br 62a_100010202626_100011215043 [0,2,0,0,0,0|1,0,0]=3 14357 B12R1.267 OCCCSc1cccnc1Br 62a_100011215043_100010202626 [0,2,0,0,0,0|1,0,0]=3 14358 B12R1.267 OCCCSc1cccnc1Cl 62a_100000036424_100011215043 [0,2,0,0,0,0|1,0,0]=3 14359 B12R1.267 OCCCSc1cccnc1Cl 62a_100011215043_100000036424 [0,2,0,0,0,0|1,0,0]=3 14360 B12R1.267 OCCCSc1cccnc1F 62a_100009816115_100011215043 [0,2,0,0,0,0|1,0,0]=3 14361 B12R1.267 OCCCSc1cccnc1F 62a_100011215043_100009816115 [0,2,0,0,0,0|1,0,0]=3 14362 B12R1.267 OCCCSc1cccnc1O 62a_100000760158_100011215043 [0,2,0,0,0,0|1,0,0]=3 14363 B12R1.267 OCCCSc1cccnc1O 62a_100011215043_100000760158 [0,2,0,0,0,0|1,0,0]=3 14364 B12R1.267 OCCCSc1ccncc1Br 62a_100000726257_100011215043 [0,2,0,0,0,0|1,0,0]=3 14365 B12R1.267 OCCCSc1ccncc1Br 62a_100011215043_100000726257 [0,2,0,0,0,0|1,0,0]=3 14366 B12R1.267 OCCCSc1ccncc1Cl 62a_100000708259_100011215043 [0,2,0,0,0,0|1,0,0]=3 14367 B12R1.267 OCCCSc1ccncc1Cl 62a_100011215043_100000708259 [0,2,0,0,0,0|1,0,0]=3 14368 B12R1.267 OCCCSc1ccncc1F 62a_100000047030_100011215043 [0,2,0,0,0,0|1,0,0]=3 14369 B12R1.267 OCCCSc1ccncc1F 62a_100011215043_100000047030 [0,2,0,0,0,0|1,0,0]=3 14370 B12R1.267 OCCCSc1ccncc1O 62a_100009817591_100011215043 [0,2,0,0,0,0|1,0,0]=3 14371 B12R1.267 OCCCSc1ccncc1O 62a_100011215043_100009817591 [0,2,0,0,0,0|1,0,0]=3 14372 B12R1.267 OCCCSc1cnccc1Br 62a_100010138639_100011215043 [0,2,0,0,0,0|1,0,0]=3 14373 B12R1.267 OCCCSc1cnccc1Br 62a_100011215043_100010138639 [0,2,0,0,0,0|1,0,0]=3 14374 B12R1.267 OCCCSc1cnccc1Cl 62a_100009995489_100011215043 [0,2,0,0,0,0|1,0,0]=3 14375 B12R1.267 OCCCSc1cnccc1Cl 62a_100011215043_100009995489 [0,2,0,0,0,0|1,0,0]=3 14376 B12R1.267 OCCCSc1cnccc1F 62a_100009820683_100011215043 [0,2,0,0,0,0|1,0,0]=3 14377 B12R1.267 OCCCSc1cnccc1F 62a_100011215043_100009820683 [0,2,0,0,0,0|1,0,0]=3 14378 B12R1.267 OCCCSc1cncnc1Br 62a_100011215043_200012461658 [0,2,0,0,0,0|2,0,0]=4 14379 B12R1.267 OCCCSc1cncnc1Br 62a_200012461658_100011215043 [0,2,0,0,0,0|2,0,0]=4 14380 B12R1.267 OCCCSc1cncnc1Cl 62a_100000758962_100011215043 [0,2,0,0,0,0|2,0,0]=4 14381 B12R1.267 OCCCSc1cncnc1Cl 62a_100011215043_100000758962 [0,2,0,0,0,0|2,0,0]=4 14382 B12R1.267 OCCCSc1cncnc1O 62a_100000751107_100011215043 [0,2,0,0,0,0|2,0,0]=4 14383 B12R1.267 OCCCSc1cncnc1O 62a_100011215043_100000751107 [0,2,0,0,0,0|2,0,0]=4 14384 B12R1.267 OCCCSc1ncccc1Br 62a_100000696092_100011215043 [0,2,0,0,0,0|1,0,0]=3 14385 B12R1.267 OCCCSc1ncccc1Br 62a_100011215043_100000696092 [0,2,0,0,0,0|1,0,0]=3 14386 B12R1.267 OCCCSc1ncccc1Cl 62a_100011215043_100011356963 [0,2,0,0,0,0|1,0,0]=3 14387 B12R1.267 OCCCSc1ncccc1Cl 62a_100011356963_100011215043 [0,2,0,0,0,0|1,0,0]=3 14388 B12R1.267 OCCCSc1ncccc1F 62a_100000685392_100011215043 [0,2,0,0,0,0|1,0,0]=3 14389 B12R1.267 OCCCSc1ncccc1F 62a_100011215043_100000685392 [0,2,0,0,0,0|1,0,0]=3 14390 B12R1.267 OCCCSc1ncccc1O 62a_100000034122_100011215043 [0,2,0,0,0,0|1,0,0]=3 14391 B12R1.267 OCCCSc1ncccc1O 62a_100011215043_100000034122 [0,2,0,0,0,0|1,0,0]=3 14392 B12R1.267 OCCCSc1nccnc1Cl 62a_100010886584_100011215043 [0,2,0,0,0,0|2,0,0]=4 14393 B12R1.267 OCCCSc1nccnc1Cl 62a_100011215043_100010886584 [0,2,0,0,0,0|2,0,0]=4 14394 B12R1.267 OCCCSc1nccnc1F 62a_100011215043_200010125657 [0,2,0,0,0,0|2,0,0]=4 14395 B12R1.267 OCCCSc1nccnc1F 62a_200010125657_100011215043 [0,2,0,0,0,0|2,0,0]=4 14396 B12R1.267 OCCCSc1ncncc1F 62a_100000069762_100011215043 [0,2,0,0,0,0|2,0,0]=4 14397 B12R1.267 OCCCSc1ncncc1F 62a_100011215043_100000069762 [0,2,0,0,0,0|2,0,0]=4 14398 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,2,0,0,0,0|0,0,0]=2 14399 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,2,0,0,0,0|0,0,0]=2 14400 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,2,0,0,0,0|0,0,0]=2 14401 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,2,0,0,0,0|0,0,0]=2 14402 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,2,0,0,0,0|0,0,0]=2 14403 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,2,0,0,0,0|0,0,0]=2 14404 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,2,0,0,0,0|0,0,0]=2 14405 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,2,0,0,0,0|0,0,0]=2 14406 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,2,0,0,0,0|0,0,0]=2 14407 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,2,0,0,0,0|0,0,0]=2 14408 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,2,0,0,0,0|0,0,0]=2 14409 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,2,0,0,0,0|0,0,0]=2 14410 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,2,0,0,0,0|0,0,0]=2 14411 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,2,0,0,0,0|0,0,0]=2 14412 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,2,0,0,0,0|0,0,0]=2 14413 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,2,0,0,0,0|0,0,0]=2 14414 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,2,0,0,0,0|0,0,0]=2 14415 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,2,0,0,0,0|0,0,0]=2 14416 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,2,0,0,0,0|0,0,0]=2 14417 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,2,0,0,0,0|0,0,0]=2 14418 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,2,0,0,0,0|0,0,0]=2 14419 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,2,0,0,0,0|0,0,0]=2 14420 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,2,0,0,0,0|0,0,0]=2 14421 B12R1.267 OCCNCc1cccnc1Br 2230a_100009818023_100000211926 [0,2,0,0,0,0|1,0,0]=3 14422 B12R1.267 OCCNCc1cccnc1Br 2230a_100016997473_100010140945 [0,2,0,0,0,0|1,0,0]=3 14423 B12R1.267 OCCNCc1cccnc1Br 34a_100009818023_100000211926 [0,2,0,0,0,0|1,0,0]=3 14424 B12R1.267 OCCNCc1cccnc1Br 34a_100016990907_100010140945 [0,2,0,0,0,0|1,0,0]=3 14425 B12R1.267 OCCNCc1cccnc1Cl 2230a_100015189234_100000211926 [0,2,0,0,0,0|1,0,0]=3 14426 B12R1.267 OCCNCc1cccnc1Cl 2230a_100016997473_100000045678 [0,2,0,0,0,0|1,0,0]=3 14427 B12R1.267 OCCNCc1cccnc1Cl 34a_100015189234_100000211926 [0,2,0,0,0,0|1,0,0]=3 14428 B12R1.267 OCCNCc1cccnc1Cl 34a_100016990907_100000045678 [0,2,0,0,0,0|1,0,0]=3 14429 B12R1.267 OCCNCc1cccnc1F 2230a_100016997473_100000099810 [0,2,0,0,0,0|1,0,0]=3 14430 B12R1.267 OCCNCc1cccnc1F 34a_100000724633_100000211926 [0,2,0,0,0,0|1,0,0]=3 14431 B12R1.267 OCCNCc1cccnc1F 34a_100016990907_100000099810 [0,2,0,0,0,0|1,0,0]=3 14432 B12R1.267 OCCNCc1cccnc1O 207a_100000210304_100011998315 [0,2,0,0,0,0|1,0,0]=3 14433 B12R1.267 OCCNCc1cccnc1O 270004a_100000210304_100011998315 [0,2,0,0,0,0|1,0,0]=3 14434 B12R1.267 OCCNCc1ccncc1Br 270004a_100000210304_100000755692 [0,2,0,0,0,0|1,0,0]=3 14435 B12R1.267 OCCNCc1ccncc1Cl 207a_100000210304_100011934409 [0,2,0,0,0,0|1,0,0]=3 14436 B12R1.267 OCCNCc1ccncc1Cl 2230a_100016997473_100000763264 [0,2,0,0,0,0|1,0,0]=3 14437 B12R1.267 OCCNCc1ccncc1Cl 270004a_100000210304_100011934409 [0,2,0,0,0,0|1,0,0]=3 14438 B12R1.267 OCCNCc1ccncc1F 34a_100011935246_100000211926 [0,2,0,0,0,0|1,0,0]=3 14439 B12R1.267 OCCNCc1cnccc1Br 270004a_100000210304_100009816821 [0,2,0,0,0,0|1,0,0]=3 14440 B12R1.267 OCCNCc1cnccc1Cl 270004a_100000210304_100000050567 [0,2,0,0,0,0|1,0,0]=3 14441 B12R1.267 OCCNCc1ncccc1Br 207a_100000210304_100011934733 [0,2,0,0,0,0|1,0,0]=3 14442 B12R1.267 OCCNCc1ncccc1Br 2230a_100016997473_100025702911 [0,2,0,0,0,0|1,0,0]=3 14443 B12R1.267 OCCNCc1ncccc1Br 270004a_100000210304_100011934733 [0,2,0,0,0,0|1,0,0]=3 14444 B12R1.267 OCCNCc1ncccc1Br 34a_100016990907_100025702911 [0,2,0,0,0,0|1,0,0]=3 14445 B12R1.267 OCCNCc1ncccc1Cl 207a_100000210304_100012001307 [0,2,0,0,0,0|1,0,0]=3 14446 B12R1.267 OCCNCc1ncccc1Cl 2230a_100015189233_100000211926 [0,2,0,0,0,0|1,0,0]=3 14447 B12R1.267 OCCNCc1ncccc1Cl 2230a_100016997473_100000099807 [0,2,0,0,0,0|1,0,0]=3 14448 B12R1.267 OCCNCc1ncccc1Cl 270004a_100000210304_100012001307 [0,2,0,0,0,0|1,0,0]=3 14449 B12R1.267 OCCNCc1ncccc1F 207a_100000210304_100011934734 [0,2,0,0,0,0|1,0,0]=3 14450 B12R1.267 OCCNCc1ncccc1F 2230a_100016997473_100000104219 [0,2,0,0,0,0|1,0,0]=3 14451 B12R1.267 OCCNCc1ncccc1F 270004a_100000210304_100011934734 [0,2,0,0,0,0|1,0,0]=3 14452 B12R1.267 OCCNCc1ncccc1F 34a_100000690088_100000211926 [0,2,0,0,0,0|1,0,0]=3 14453 B12R1.267 OCCNCc1ncccc1F 34a_100016990907_100000104219 [0,2,0,0,0,0|1,0,0]=3 14454 B12R1.267 OCCNCc1ncccc1O 34a_100016990907_200020655725 [0,2,0,0,0,0|1,0,0]=3 14455 B12R1.267 OCCNCc1nccnc1Cl 2230a_100000729963_100000211926 [0,2,0,0,0,0|2,0,0]=4 14456 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,2,0,0,0,0|0,0,0]=2 14457 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,2,0,0,0,0|0,0,0]=2 14458 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,2,0,0,0,0|0,0,0]=2 14459 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,2,0,0,0,0|0,0,0]=2 14460 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,2,0,0,0,0|0,0,0]=2 14461 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,2,0,0,0,0|0,0,0]=2 14462 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,2,0,0,0,0|0,0,0]=2 14463 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,2,0,0,0,0|0,0,0]=2 14464 B12R1.267 OCCOCc1cccnc1Br 34a_100000719692_100000211926 [0,2,0,0,0,0|1,0,0]=3 14465 B12R1.267 OCCOCc1cccnc1Br 7a_100000719692_100000211926 [0,2,0,0,0,0|1,0,0]=3 14466 B12R1.267 OCCOCc1cccnc1Cl 34a_100000748726_100000211926 [0,2,0,0,0,0|1,0,0]=3 14467 B12R1.267 OCCOCc1cccnc1Cl 7a_100000748726_100000211926 [0,2,0,0,0,0|1,0,0]=3 14468 B12R1.267 OCCOCc1cccnc1F 34a_100000079888_100000211926 [0,2,0,0,0,0|1,0,0]=3 14469 B12R1.267 OCCOCc1cccnc1F 7a_100000079888_100000211926 [0,2,0,0,0,0|1,0,0]=3 14470 B12R1.267 OCCOCc1ccncc1F 34a_100012172863_100000211926 [0,2,0,0,0,0|1,0,0]=3 14471 B12R1.267 OCCOCc1cnccc1Cl 34a_100000117392_100000211926 [0,2,0,0,0,0|1,0,0]=3 14472 B12R1.267 OCCOCc1ncccc1Br 34a_100011996772_100000211926 [0,2,0,0,0,0|1,0,0]=3 14473 B12R1.267 OCCOCc1ncccc1Cl 34a_100012002383_100000211926 [0,2,0,0,0,0|1,0,0]=3 14474 B12R1.267 OCCOCc1ncccc1F 34a_100011934865_100000211926 [0,2,0,0,0,0|1,0,0]=3 14475 B12R1.267 OCCOCc1nccnc1Cl 34a_100000057004_100000211926 [0,2,0,0,0,0|2,0,0]=4 14476 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [0,2,0,0,0,0|0,0,0]=2 14477 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [0,2,0,0,0,0|0,0,0]=2 14478 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [0,2,0,0,0,0|0,0,0]=2 14479 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [0,2,0,0,0,0|0,0,0]=2 14480 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [0,2,0,0,0,0|0,0,0]=2 14481 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [0,2,0,0,0,0|0,0,0]=2 14482 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [0,2,0,0,0,0|0,0,0]=2 14483 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [0,2,0,0,0,0|0,0,0]=2 14484 B12R1.267 OCCSCc1cccnc1Br 62a_100000211926_100010140945 [0,2,0,0,0,0|1,0,0]=3 14485 B12R1.267 OCCSCc1cccnc1Br 62a_100010140945_100000211926 [0,2,0,0,0,0|1,0,0]=3 14486 B12R1.267 OCCSCc1cccnc1Cl 62a_100000045678_100000211926 [0,2,0,0,0,0|1,0,0]=3 14487 B12R1.267 OCCSCc1cccnc1Cl 62a_100000211926_100000045678 [0,2,0,0,0,0|1,0,0]=3 14488 B12R1.267 OCCSCc1cccnc1F 62a_100000099810_100000211926 [0,2,0,0,0,0|1,0,0]=3 14489 B12R1.267 OCCSCc1cccnc1F 62a_100000211926_100000099810 [0,2,0,0,0,0|1,0,0]=3 14490 B12R1.267 OCCSCc1ccncc1Cl 62a_100000211926_100000763264 [0,2,0,0,0,0|1,0,0]=3 14491 B12R1.267 OCCSCc1ccncc1Cl 62a_100000763264_100000211926 [0,2,0,0,0,0|1,0,0]=3 14492 B12R1.267 OCCSCc1ncccc1Br 62a_100000211926_100025702911 [0,2,0,0,0,0|1,0,0]=3 14493 B12R1.267 OCCSCc1ncccc1Br 62a_100025702911_100000211926 [0,2,0,0,0,0|1,0,0]=3 14494 B12R1.267 OCCSCc1ncccc1Cl 62a_100000099807_100000211926 [0,2,0,0,0,0|1,0,0]=3 14495 B12R1.267 OCCSCc1ncccc1Cl 62a_100000211926_100000099807 [0,2,0,0,0,0|1,0,0]=3 14496 B12R1.267 OCCSCc1ncccc1F 62a_100000104219_100000211926 [0,2,0,0,0,0|1,0,0]=3 14497 B12R1.267 OCCSCc1ncccc1F 62a_100000211926_100000104219 [0,2,0,0,0,0|1,0,0]=3 14498 B12R1.267 OCCSCc1ncccc1O 62a_100000211926_200020655725 [0,2,0,0,0,0|1,0,0]=3 14499 B12R1.267 OCCSCc1ncccc1O 62a_200020655725_100000211926 [0,2,0,0,0,0|1,0,0]=3 14500 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,2,0,0,0,0|1,0,0]=3 14501 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [0,2,0,0,0,0|1,0,0]=3 14502 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [0,2,0,0,0,0|1,0,0]=3 14503 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|1,0,0]=3 14504 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|1,0,0]=3 14505 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [0,2,0,0,0,0|1,0,0]=3 14506 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [0,2,0,0,0,0|1,0,0]=3 14507 B12R1.267 Oc1cccnc1CNCCF 34a_100000724931_200020655725 [0,2,0,0,0,0|2,0,0]=4 14508 B12R1.267 Oc1cccnc1COCCBr 34a_100000211926_200020655725 [0,2,0,0,0,0|2,0,0]=4 14509 B12R1.267 Oc1cccnc1CSCCF 62a_100011217306_200020655725 [0,2,0,0,0,0|2,0,0]=4 14510 B12R1.267 Oc1cccnc1CSCCF 62a_200020655725_100011217306 [0,2,0,0,0,0|2,0,0]=4 14511 B12R1.267 Oc1cccnc1SCCCF 62a_100000034122_100011934791 [0,2,0,0,0,0|2,0,0]=4 14512 B12R1.267 Oc1cccnc1SCCCF 62a_100011934791_100000034122 [0,2,0,0,0,0|2,0,0]=4 14513 B12R1.267 Oc1cnccc1SCCCF 62a_100009817591_100011934791 [0,2,0,0,0,0|2,0,0]=4 14514 B12R1.267 Oc1cnccc1SCCCF 62a_100011934791_100009817591 [0,2,0,0,0,0|2,0,0]=4 14515 B12R1.267 Oc1ncccc1SCCCF 62a_100000760158_100011934791 [0,2,0,0,0,0|2,0,0]=4 14516 B12R1.267 Oc1ncccc1SCCCF 62a_100011934791_100000760158 [0,2,0,0,0,0|2,0,0]=4 14517 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,2,0,0,0,0|1,0,0]=3 14518 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,2,0,0,0,0|1,0,0]=3 14519 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,2,0,0,0,0|2,0,0]=4 14520 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,2,0,0,0,0|2,0,0]=4 14521 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,2,0,0,0,0|2,0,0]=4 14522 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,2,0,0,0,0|2,0,0]=4 14523 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,2,0,0,0,0|2,0,0]=4 14524 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,2,0,0,0,0|2,0,0]=4 14525 B12R1.267 [13CH3]OCC#Cc1ccccc1Br 34a_100009814404_200025704644 [0,2,0,0,0,0|0,0,2]=4 14526 B12R1.267 [13CH3]OCC#Cc1ccccc1Br 7a_100009814404_200025704644 [0,2,0,0,0,0|0,0,2]=4 14527 B12R1.267 [13CH3]OCC#Cc1ccccc1Cl 34a_100011219350_200025704644 [0,2,0,0,0,0|0,0,2]=4 14528 B12R1.267 [13CH3]OCC#Cc1ccccc1Cl 7a_100011219350_200025704644 [0,2,0,0,0,0|0,0,2]=4 14529 B12R1.267 [13CH3]OCC#Cc1ccccc1F 34a_100011219114_200025704644 [0,2,0,0,0,0|0,0,2]=4 14530 B12R1.267 [13CH3]OCC#Cc1ccccc1F 7a_100011219114_200025704644 [0,2,0,0,0,0|0,0,2]=4 14531 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,2,0,0,0,0|0,0,0]=2 14532 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,2,0,0,0,0|0,0,0]=2 14533 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,2,0,0,0,0|0,0,0]=2 14534 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,2,0,0,0,0|0,0,0]=2 14535 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,2,0,0,0,0|0,0,0]=2 14536 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,2,0,0,0,0|0,0,0]=2 14537 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [0,2,0,0,0,0|1,0,0]=3 14538 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,2,0,0,0,0|1,0,0]=3 14539 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,2,0,0,0,0|1,0,0]=3 14540 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,2,0,0,0,0|1,0,0]=3 14541 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,2,0,0,0,0|1,0,0]=3 14542 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,2,0,0,0,0|1,0,0]=3 14543 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,2,0,0,0,0|1,0,0]=3 14544 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,2,0,0,0,0|1,0,0]=3 14545 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [0,2,0,0,0,0|1,0,0]=3 14546 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [0,2,0,0,0,0|1,0,0]=3 14547 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [0,2,0,0,0,0|1,0,0]=3 14548 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [0,2,0,0,0,0|1,0,0]=3 14549 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [0,2,0,0,0,0|1,0,0]=3 14550 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [0,2,0,0,0,0|1,0,0]=3 14551 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,2,0,0,0,0|0,1,0]=3 14552 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,2,0,0,0,0|0,1,0]=3 14553 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,2,0,0,0,0|1,1,0]=4 14554 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,2,0,0,0,0|1,1,0]=4 14555 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,2,0,0,0,0|1,1,0]=4 14556 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,2,0,0,0,0|1,1,0]=4 14557 B12R1.267 [O-][n+]1ccccc1OCCCF 7a_100000211761_100011934791 [0,2,0,0,0,0|2,0,0]=4 14558 B12R1.267 [O-][n+]1ccccc1OCCCO 7a_100000211761_100011215043 [0,2,0,0,0,0|1,0,0]=3 14559 B12R1.267 [O-][n+]1ccccc1SCCCF 62a_100011934791_200000042595 [0,2,0,0,0,0|2,0,0]=4 14560 B12R1.267 [O-][n+]1ccccc1SCCCO 62a_100011215043_200000042595 [0,2,0,0,0,0|1,0,0]=3 14561 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,2,0,0,0,0|1,0,0]=3 14562 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,2,0,0,0,0|1,0,0]=3 14563 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,2,0,0,0,0|1,0,0]=3 14564 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,2,0,0,0,0|1,0,0]=3 14565 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,2,0,0,0,0|1,0,0]=3 14566 B12R1.371 CC(CO)Oc1cccc[n+]1[O-] 7a_100000211761_100012180447 [0,2,0,0,0,0|2,0,0]=4 14567 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,2,0,0,0,0|1,0,0]=3 14568 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,2,0,0,0,0|1,0,0]=3 14569 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,2,0,0,0,0|1,0,0]=3 14570 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,2,0,0,0,0|1,0,0]=3 14571 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,2,0,0,0,0|1,0,0]=3 14572 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,2,0,0,0,0|1,0,0]=3 14573 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,2,0,0,0,0|1,0,0]=3 14574 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,2,0,0,0,0|1,0,0]=3 14575 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,2,0,0,0,0|1,0,0]=3 14576 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,2,0,0,0,0|1,0,0]=3 14577 B12R1.371 CC(CO)Oc1cccnc1Br 34a_100000744436_100012180447 [0,2,0,0,0,0|2,0,0]=4 14578 B12R1.371 CC(CO)Oc1cccnc1Br 7a_100000744436_100012180447 [0,2,0,0,0,0|2,0,0]=4 14579 B12R1.371 CC(CO)Oc1cccnc1Cl 34a_100000757616_100012180447 [0,2,0,0,0,0|2,0,0]=4 14580 B12R1.371 CC(CO)Oc1cccnc1Cl 7a_100000757616_100012180447 [0,2,0,0,0,0|2,0,0]=4 14581 B12R1.371 CC(CO)Oc1cccnc1F 34a_100000061740_100012180447 [0,2,0,0,0,0|2,0,0]=4 14582 B12R1.371 CC(CO)Oc1cccnc1F 7a_100000061740_100012180447 [0,2,0,0,0,0|2,0,0]=4 14583 B12R1.371 CC(CO)Oc1cccnc1I 34a_100000034122_100012180447 [0,2,0,0,0,0|2,0,0]=4 14584 B12R1.371 CC(CO)Oc1cccnc1I 7a_100000034122_100012180447 [0,2,0,0,0,0|2,0,0]=4 14585 B12R1.371 CC(CO)Oc1cccnc1N 34a_100000211975_100012180447 [0,2,0,0,0,0|2,0,0]=4 14586 B12R1.371 CC(CO)Oc1cccnc1N 7a_100000211975_100012180447 [0,2,0,0,0,0|2,0,0]=4 14587 B12R1.371 CC(CO)Oc1cccoc1=O 34a_100000077404_100012180447 [0,2,0,0,0,0|2,0,0]=4 14588 B12R1.371 CC(CO)Oc1cccoc1=O 7a_100000077404_100012180447 [0,2,0,0,0,0|2,0,0]=4 14589 B12R1.371 CC(CO)Oc1ccncc1Br 34a_100011996408_100012180447 [0,2,0,0,0,0|2,0,0]=4 14590 B12R1.371 CC(CO)Oc1ccncc1Cl 34a_100011997054_100012180447 [0,2,0,0,0,0|2,0,0]=4 14591 B12R1.371 CC(CO)Oc1ccncc1F 34a_200000081243_100012180447 [0,2,0,0,0,0|2,0,0]=4 14592 B12R1.371 CC(CO)Oc1cnccc1Cl 34a_100011996695_100012180447 [0,2,0,0,0,0|2,0,0]=4 14593 B12R1.371 CC(CO)Oc1cnccc1I 34a_100000050107_100012180447 [0,2,0,0,0,0|2,0,0]=4 14594 B12R1.371 CC(CO)Oc1cnccc1N 34a_100000753702_100012180447 [0,2,0,0,0,0|2,0,0]=4 14595 B12R1.371 CC(CO)Oc1coccc1=O 34a_100000060831_100012180447 [0,2,0,0,0,0|2,0,0]=4 14596 B12R1.371 CC(CO)Oc1ncccc1Cl 34a_100011290957_100012180447 [0,2,0,0,0,0|2,0,0]=4 14597 B12R1.371 CC(CO)Oc1ncccc1F 34a_100011219419_100012180447 [0,2,0,0,0,0|2,0,0]=4 14598 B12R1.371 CC(CO)Oc1ncccc1N 34a_100000746358_100012180447 [0,2,0,0,0,0|2,0,0]=4 14599 B12R1.371 CC(CO)Sc1c[nH]ccc1=O 62a_100012180447_100009998708 [0,2,0,0,0,0|2,0,0]=4 14600 B12R1.371 CC(CO)Sc1c[nH]ccc1=S 62a_100012180447_200012280681 [0,2,0,0,0,0|2,0,0]=4 14601 B12R1.371 CC(CO)Sc1cccc[n+]1C 62a_100012180447_100000212160 [0,2,0,0,0,0|2,0,0]=4 14602 B12R1.371 CC(CO)Sc1cccc[n+]1[O-] 62a_100012180447_200000042595 [0,2,0,0,0,0|2,0,0]=4 14603 B12R1.371 CC(CO)Sc1ccccc1Br 62a_100012180447_100000695589 [0,2,0,0,0,0|1,0,0]=3 14604 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,2,0,0,0,0|1,0,0]=3 14605 B12R1.371 CC(CO)Sc1ccccc1F 62a_100012180447_100011215700 [0,2,0,0,0,0|1,0,0]=3 14606 B12R1.371 CC(CO)Sc1ccccc1N 62a_100012180447_100000210017 [0,2,0,0,0,0|1,0,0]=3 14607 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,2,0,0,0,0|1,0,0]=3 14608 B12R1.371 CC(CO)Sc1cccnc1Br 62a_100012180447_100010202626 [0,2,0,0,0,0|2,0,0]=4 14609 B12R1.371 CC(CO)Sc1cccnc1Cl 62a_100012180447_100000036424 [0,2,0,0,0,0|2,0,0]=4 14610 B12R1.371 CC(CO)Sc1cccnc1F 62a_100012180447_100009816115 [0,2,0,0,0,0|2,0,0]=4 14611 B12R1.371 CC(CO)Sc1cccnc1N 62a_100012180447_100000045569 [0,2,0,0,0,0|2,0,0]=4 14612 B12R1.371 CC(CO)Sc1cccnc1O 62a_100012180447_100000760158 [0,2,0,0,0,0|2,0,0]=4 14613 B12R1.371 CC(CO)Sc1ccncc1Br 62a_100012180447_100000726257 [0,2,0,0,0,0|2,0,0]=4 14614 B12R1.371 CC(CO)Sc1ccncc1Cl 62a_100012180447_100000708259 [0,2,0,0,0,0|2,0,0]=4 14615 B12R1.371 CC(CO)Sc1ccncc1F 62a_100012180447_100000047030 [0,2,0,0,0,0|2,0,0]=4 14616 B12R1.371 CC(CO)Sc1ccncc1N 62a_100012180447_100000756074 [0,2,0,0,0,0|2,0,0]=4 14617 B12R1.371 CC(CO)Sc1ccncc1O 62a_100012180447_100009817591 [0,2,0,0,0,0|2,0,0]=4 14618 B12R1.371 CC(CO)Sc1cnccc1Br 62a_100012180447_100010138639 [0,2,0,0,0,0|2,0,0]=4 14619 B12R1.371 CC(CO)Sc1cnccc1Cl 62a_100012180447_100009995489 [0,2,0,0,0,0|2,0,0]=4 14620 B12R1.371 CC(CO)Sc1cnccc1F 62a_100012180447_100009820683 [0,2,0,0,0,0|2,0,0]=4 14621 B12R1.371 CC(CO)Sc1cnccc1N 62a_100012180447_100000047001 [0,2,0,0,0,0|2,0,0]=4 14622 B12R1.371 CC(CO)Sc1ncccc1Br 62a_100012180447_100000696092 [0,2,0,0,0,0|2,0,0]=4 14623 B12R1.371 CC(CO)Sc1ncccc1Cl 62a_100012180447_100011356963 [0,2,0,0,0,0|2,0,0]=4 14624 B12R1.371 CC(CO)Sc1ncccc1F 62a_100012180447_100000685392 [0,2,0,0,0,0|2,0,0]=4 14625 B12R1.371 CC(CO)Sc1ncccc1N 62a_100012180447_100000688686 [0,2,0,0,0,0|2,0,0]=4 14626 B12R1.371 CC(CO)Sc1ncccc1O 62a_100012180447_100000034122 [0,2,0,0,0,0|2,0,0]=4 14627 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,2,0,0,0,0|1,0,1]=4 14628 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,2,0,0,0,0|1,0,1]=4 14629 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,2,0,0,0,0|1,0,1]=4 14630 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,2,0,0,0,0|1,0,1]=4 14631 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,2,0,0,0,0|1,0,1]=4 14632 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,2,0,0,0,0|1,0,1]=4 14633 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,2,0,0,0,0|1,0,1]=4 14634 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,2,0,0,0,0|1,0,1]=4 14635 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,2,0,0,0,0|1,0,1]=4 14636 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,2,0,0,0,0|1,0,1]=4 14637 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,2,0,0,0,0|1,0,1]=4 14638 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,2,0,0,0,0|2,0,0]=4 14639 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,2,0,0,0,0|2,0,0]=4 14640 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,2,0,0,0,0|2,0,0]=4 14641 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,2,0,0,0,0|2,0,0]=4 14642 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,2,0,0,0,0|2,0,0]=4 14643 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,2,0,0,0,0|2,0,0]=4 14644 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,2,0,0,0,0|2,0,0]=4 14645 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,2,0,0,0,0|2,0,0]=4 14646 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,2,0,0,0,0|2,0,0]=4 14647 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,2,0,0,0,0|2,0,0]=4 14648 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,2,0,0,0,0|2,0,0]=4 14649 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,2,0,0,0,0|2,0,0]=4 14650 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,2,0,0,0,0|2,0,0]=4 14651 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,2,0,0,0,0|2,0,0]=4 14652 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,2,0,0,0,0|2,0,0]=4 14653 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,2,0,0,0,0|2,0,0]=4 14654 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,2,0,0,0,0|2,0,0]=4 14655 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,2,0,0,0,0|2,0,0]=4 14656 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,2,0,0,0,0|2,0,0]=4 14657 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,2,0,0,0,0|2,0,0]=4 14658 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,2,0,0,0,0|2,0,0]=4 14659 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,2,0,0,0,0|2,0,0]=4 14660 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,2,0,0,0,0|2,0,0]=4 14661 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,2,0,0,0,0|2,0,0]=4 14662 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,2,0,0,0,0|2,0,0]=4 14663 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,2,0,0,0,0|2,0,0]=4 14664 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,2,0,0,0,0|2,0,0]=4 14665 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,2,0,0,0,0|2,0,0]=4 14666 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,2,0,0,0,0|2,0,0]=4 14667 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,2,0,0,0,0|2,0,0]=4 14668 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,2,0,0,0,0|2,0,0]=4 14669 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,2,0,0,0,0|2,0,0]=4 14670 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,2,0,0,0,0|2,0,0]=4 14671 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,2,0,0,0,0|2,0,0]=4 14672 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,2,0,0,0,0|2,0,0]=4 14673 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,2,0,0,0,0|2,0,0]=4 14674 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,2,0,0,0,0|2,0,0]=4 14675 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,2,0,0,0,0|2,0,0]=4 14676 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,2,0,0,0,0|2,0,0]=4 14677 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,2,0,0,0,0|2,0,0]=4 14678 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,2,0,0,0,0|2,0,0]=4 14679 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,2,0,0,0,0|2,0,0]=4 14680 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,2,0,0,0,0|2,0,0]=4 14681 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,2,0,0,0,0|2,0,0]=4 14682 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,2,0,0,0,0|2,0,0]=4 14683 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,2,0,0,0,0|2,0,0]=4 14684 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,2,0,0,0,0|2,0,0]=4 14685 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,2,0,0,0,0|2,0,0]=4 14686 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,2,0,0,0,0|2,0,0]=4 14687 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,2,0,0,0,0|2,0,0]=4 14688 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,2,0,0,0,0|2,0,0]=4 14689 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,2,0,0,0,0|2,0,0]=4 14690 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,2,0,0,0,0|2,0,0]=4 14691 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,2,0,0,0,0|2,0,0]=4 14692 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,2,0,0,0,0|2,0,0]=4 14693 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,2,0,0,0,0|2,0,0]=4 14694 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,2,0,0,0,0|2,0,0]=4 14695 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,2,0,0,0,0|2,0,0]=4 14696 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,2,0,0,0,0|2,0,0]=4 14697 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,2,0,0,0,0|2,0,0]=4 14698 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,2,0,0,0,0|2,0,0]=4 14699 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,2,0,0,0,0|2,0,0]=4 14700 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,2,0,0,0,0|2,0,0]=4 14701 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,2,0,0,0,0|2,0,0]=4 14702 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,2,0,0,0,0|2,0,0]=4 14703 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,2,0,0,0,0|2,0,0]=4 14704 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,2,0,0,0,0|2,0,0]=4 14705 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,2,0,0,0,0|2,0,0]=4 14706 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,2,0,0,0,0|2,0,0]=4 14707 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,2,0,0,0,0|2,0,0]=4 14708 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,2,0,0,0,0|2,0,0]=4 14709 B12R1.371 CN(CF)Cc1ccccc1Br 269982a_100000184654_100015361967 [0,2,0,0,0,0|2,0,0]=4 14710 B12R1.371 CN(CF)Cc1ccccc1Cl 269982a_100000184507_100015361967 [0,2,0,0,0,0|2,0,0]=4 14711 B12R1.371 CN(CF)Cc1ccccc1F 269982a_100000742528_100015361967 [0,2,0,0,0,0|2,0,0]=4 14712 B12R1.371 CN(CF)Cc1ccccc1F 34a_100000742528_100015361967 [0,2,0,0,0,0|2,0,0]=4 14713 B12R1.371 CN(CF)Cc1ccccc1O 269982a_100015189988_100015361967 [0,2,0,0,0,0|2,0,0]=4 14714 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,2,0,0,0,0|2,0,0]=4 14715 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,2,0,0,0,0|2,0,0]=4 14716 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,2,0,0,0,0|2,0,0]=4 14717 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,2,0,0,0,0|2,0,0]=4 14718 B12R1.371 C[C@H](CO)Nc1ccncc1Br 27a_100000737577_100000726257 [0,2,0,0,0,0|2,0,0]=4 14719 B12R1.371 C[C@H](CO)Nc1ccncc1F 27a_100000737577_100000035921 [0,2,0,0,0,0|2,0,0]=4 14720 B12R1.371 C[C@H](CO)Nc1ncccc1Br 27a_100000737577_100000696092 [0,2,0,0,0,0|2,0,0]=4 14721 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100009998708_100016084084 [0,2,0,0,0,0|2,0,0]=4 14722 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100016084084_100009998708 [0,2,0,0,0,0|2,0,0]=4 14723 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_100016084084_200012280681 [0,2,0,0,0,0|2,0,0]=4 14724 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_200012280681_100016084084 [0,2,0,0,0,0|2,0,0]=4 14725 B12R1.371 C[C@H](CO)Sc1cccc[n+]1C 62a_100016084084_100000212160 [0,2,0,0,0,0|2,0,0]=4 14726 B12R1.371 C[C@H](CO)Sc1cccc[n+]1[O-] 62a_100016084084_200000042595 [0,2,0,0,0,0|2,0,0]=4 14727 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100000695589_100016084084 [0,2,0,0,0,0|1,0,0]=3 14728 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100016084084_100000695589 [0,2,0,0,0,0|1,0,0]=3 14729 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,2,0,0,0,0|1,0,0]=3 14730 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,2,0,0,0,0|1,0,0]=3 14731 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100011215700_100016084084 [0,2,0,0,0,0|1,0,0]=3 14732 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100016084084_100011215700 [0,2,0,0,0,0|1,0,0]=3 14733 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100000210017_100016084084 [0,2,0,0,0,0|1,0,0]=3 14734 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100016084084_100000210017 [0,2,0,0,0,0|1,0,0]=3 14735 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,2,0,0,0,0|1,0,0]=3 14736 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,2,0,0,0,0|1,0,0]=3 14737 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100010202626_100016084084 [0,2,0,0,0,0|2,0,0]=4 14738 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100016084084_100010202626 [0,2,0,0,0,0|2,0,0]=4 14739 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100000036424_100016084084 [0,2,0,0,0,0|2,0,0]=4 14740 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100016084084_100000036424 [0,2,0,0,0,0|2,0,0]=4 14741 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100009816115_100016084084 [0,2,0,0,0,0|2,0,0]=4 14742 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100016084084_100009816115 [0,2,0,0,0,0|2,0,0]=4 14743 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100000045569_100016084084 [0,2,0,0,0,0|2,0,0]=4 14744 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100016084084_100000045569 [0,2,0,0,0,0|2,0,0]=4 14745 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100000760158_100016084084 [0,2,0,0,0,0|2,0,0]=4 14746 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100016084084_100000760158 [0,2,0,0,0,0|2,0,0]=4 14747 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100000726257_100016084084 [0,2,0,0,0,0|2,0,0]=4 14748 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100016084084_100000726257 [0,2,0,0,0,0|2,0,0]=4 14749 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100000708259_100016084084 [0,2,0,0,0,0|2,0,0]=4 14750 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100016084084_100000708259 [0,2,0,0,0,0|2,0,0]=4 14751 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100000047030_100016084084 [0,2,0,0,0,0|2,0,0]=4 14752 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100016084084_100000047030 [0,2,0,0,0,0|2,0,0]=4 14753 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100000756074_100016084084 [0,2,0,0,0,0|2,0,0]=4 14754 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100016084084_100000756074 [0,2,0,0,0,0|2,0,0]=4 14755 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100009817591_100016084084 [0,2,0,0,0,0|2,0,0]=4 14756 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100016084084_100009817591 [0,2,0,0,0,0|2,0,0]=4 14757 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100010138639_100016084084 [0,2,0,0,0,0|2,0,0]=4 14758 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100016084084_100010138639 [0,2,0,0,0,0|2,0,0]=4 14759 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100009995489_100016084084 [0,2,0,0,0,0|2,0,0]=4 14760 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100016084084_100009995489 [0,2,0,0,0,0|2,0,0]=4 14761 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100009820683_100016084084 [0,2,0,0,0,0|2,0,0]=4 14762 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100016084084_100009820683 [0,2,0,0,0,0|2,0,0]=4 14763 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100000047001_100016084084 [0,2,0,0,0,0|2,0,0]=4 14764 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100016084084_100000047001 [0,2,0,0,0,0|2,0,0]=4 14765 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100000696092_100016084084 [0,2,0,0,0,0|2,0,0]=4 14766 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100016084084_100000696092 [0,2,0,0,0,0|2,0,0]=4 14767 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100011356963_100016084084 [0,2,0,0,0,0|2,0,0]=4 14768 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100016084084_100011356963 [0,2,0,0,0,0|2,0,0]=4 14769 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100000685392_100016084084 [0,2,0,0,0,0|2,0,0]=4 14770 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100016084084_100000685392 [0,2,0,0,0,0|2,0,0]=4 14771 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100000688686_100016084084 [0,2,0,0,0,0|2,0,0]=4 14772 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100016084084_100000688686 [0,2,0,0,0,0|2,0,0]=4 14773 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100000034122_100016084084 [0,2,0,0,0,0|2,0,0]=4 14774 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100016084084_100000034122 [0,2,0,0,0,0|2,0,0]=4 14775 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,2,0,0,0,0|1,0,1]=4 14776 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,2,0,0,0,0|0,0,1]=3 14777 B12R1.371 Cc1ccccc1CN(C)CF 269982a_100000184421_100015361967 [0,2,0,0,0,0|2,0,0]=4 14778 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,2,0,0,0,0|1,0,1]=4 14779 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,2,0,0,0,0|1,0,1]=4 14780 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,2,0,0,0,0|1,0,0]=3 14781 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,2,0,0,0,0|1,0,0]=3 14782 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,2,0,0,0,0|1,0,0]=3 14783 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,2,0,0,0,0|1,0,0]=3 14784 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,2,0,0,0,0|1,0,0]=3 14785 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,2,0,0,0,0|1,0,0]=3 14786 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,2,0,0,0,0|1,0,1]=4 14787 B12R1.371 Cc1cccnc1SC(C)CO 62a_100012180447_100000751373 [0,2,0,0,0,0|2,0,0]=4 14788 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100000751373_100016084084 [0,2,0,0,0,0|2,0,0]=4 14789 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100016084084_100000751373 [0,2,0,0,0,0|2,0,0]=4 14790 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,2,0,0,0,0|1,0,1]=4 14791 B12R1.371 Cc1ccncc1OC(C)CO 34a_100011997053_100012180447 [0,2,0,0,0,0|2,0,0]=4 14792 B12R1.371 Cc1ccncc1OC(C)CO 7a_100011997053_100012180447 [0,2,0,0,0,0|2,0,0]=4 14793 B12R1.371 Cc1ccncc1SC(C)CO 62a_100012180447_100000761580 [0,2,0,0,0,0|2,0,0]=4 14794 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100000761580_100016084084 [0,2,0,0,0,0|2,0,0]=4 14795 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100016084084_100000761580 [0,2,0,0,0,0|2,0,0]=4 14796 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,2,0,0,0,0|1,0,1]=4 14797 B12R1.371 Cc1cnccc1N[C@H](C)CO 27a_100000737577_100000765111 [0,2,0,0,0,0|2,0,0]=4 14798 B12R1.371 Cc1cnccc1OC(C)CO 34a_100000694293_100012180447 [0,2,0,0,0,0|2,0,0]=4 14799 B12R1.371 Cc1cnccc1SC(C)CO 62a_100012180447_100000765111 [0,2,0,0,0,0|2,0,0]=4 14800 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100000765111_100016084084 [0,2,0,0,0,0|2,0,0]=4 14801 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100016084084_100000765111 [0,2,0,0,0,0|2,0,0]=4 14802 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,2,0,0,0,0|1,0,1]=4 14803 B12R1.371 Cc1ncccc1OC(C)CO 34a_100000745507_100012180447 [0,2,0,0,0,0|2,0,0]=4 14804 B12R1.371 Cc1ncccc1OC(C)CO 7a_100000745507_100012180447 [0,2,0,0,0,0|2,0,0]=4 14805 B12R1.371 Cc1ncccc1SC(C)CO 62a_100012180447_100000751574 [0,2,0,0,0,0|2,0,0]=4 14806 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100000751574_100016084084 [0,2,0,0,0,0|2,0,0]=4 14807 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100016084084_100000751574 [0,2,0,0,0,0|2,0,0]=4 14808 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,2,0,0,0,0|1,0,1]=4 14809 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,2,0,0,0,0|1,0,1]=4 14810 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,2,0,0,0,0|1,0,1]=4 14811 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,2,0,0,0,0|1,0,1]=4 14812 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,2,0,0,0,0|1,0,1]=4 14813 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,2,0,0,0,0|0,0,1]=3 14814 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,2,0,0,0,0|0,0,1]=3 14815 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,2,0,0,0,0|0,0,1]=3 14816 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,2,0,0,0,0|0,0,1]=3 14817 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,2,0,0,0,0|1,0,1]=4 14818 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,2,0,0,0,0|1,0,1]=4 14819 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,2,0,0,0,0|1,0,1]=4 14820 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,2,0,0,0,0|1,0,1]=4 14821 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,2,0,0,0,0|1,0,1]=4 14822 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,2,0,0,0,0|1,0,1]=4 14823 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,2,0,0,0,0|1,0,1]=4 14824 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,2,0,0,0,0|1,0,1]=4 14825 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,2,0,0,0,0|1,0,1]=4 14826 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,2,0,0,0,0|1,0,1]=4 14827 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,2,0,0,0,0|1,0,1]=4 14828 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,2,0,0,0,0|1,0,1]=4 14829 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,2,0,0,0,0|1,0,1]=4 14830 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,2,0,0,0,0|1,0,1]=4 14831 B12R1.374 CCCCc1cc(=O)[nH]cc1F 271570a_100020621405_100009817642 [0,2,0,0,0,0|2,0,0]=4 14832 B12R1.374 CCCCc1cc(c[nH]c1=O)F 271570a_100020621405_100009817720 [0,2,0,0,0,0|2,0,0]=4 14833 B12R1.374 CCCCc1cc(ccc1Br)Br 271570a_100020621405_100011483371 [0,2,0,0,0,0|1,0,0]=3 14834 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [0,2,0,0,0,0|1,0,0]=3 14835 B12R1.374 CCCCc1cc(ccc1Br)Cl 271570a_100020621405_100012339723 [0,2,0,0,0,0|1,0,0]=3 14836 B12R1.374 CCCCc1cc(ccc1Br)F 271570a_100020621405_100011217576 [0,2,0,0,0,0|1,0,0]=3 14837 B12R1.374 CCCCc1cc(ccc1Br)N 271570a_100020621405_100000750459 [0,2,0,0,0,0|1,0,0]=3 14838 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [0,2,0,0,0,0|1,0,0]=3 14839 B12R1.374 CCCCc1cc(ccc1C)Br 271570a_100020621405_100011344865 [0,2,0,0,0,0|1,0,0]=3 14840 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [0,2,0,0,0,0|1,0,0]=3 14841 B12R1.374 CCCCc1cc(ccc1C)Cl 271570a_100020621405_100011263213 [0,2,0,0,0,0|1,0,0]=3 14842 B12R1.374 CCCCc1cc(ccc1C)F 271570a_100020621405_100011218078 [0,2,0,0,0,0|1,0,0]=3 14843 B12R1.374 CCCCc1cc(ccc1C)N 271570a_100020621405_100000736455 [0,2,0,0,0,0|1,0,0]=3 14844 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [0,2,0,0,0,0|1,0,0]=3 14845 B12R1.374 CCCCc1cc(ccc1Cl)Br 271570a_100020621405_100011772130 [0,2,0,0,0,0|1,0,0]=3 14846 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [0,2,0,0,0,0|1,0,0]=3 14847 B12R1.374 CCCCc1cc(ccc1Cl)Cl 271570a_100020621405_100000707729 [0,2,0,0,0,0|1,0,0]=3 14848 B12R1.374 CCCCc1cc(ccc1Cl)F 271570a_100020621405_100011217299 [0,2,0,0,0,0|1,0,0]=3 14849 B12R1.374 CCCCc1cc(ccc1Cl)N 271570a_100020621405_100012360549 [0,2,0,0,0,0|1,0,0]=3 14850 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [0,2,0,0,0,0|1,0,0]=3 14851 B12R1.374 CCCCc1cc(ccc1F)Br 271570a_100020621405_100011217312 [0,2,0,0,0,0|1,0,0]=3 14852 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [0,2,0,0,0,0|1,0,0]=3 14853 B12R1.374 CCCCc1cc(ccc1F)Cl 271570a_100020621405_100011218116 [0,2,0,0,0,0|1,0,0]=3 14854 B12R1.374 CCCCc1cc(ccc1F)F 271570a_100020621405_100000750033 [0,2,0,0,0,0|1,0,0]=3 14855 B12R1.374 CCCCc1cc(ccc1F)N 271570a_100020621405_100000760356 [0,2,0,0,0,0|1,0,0]=3 14856 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [0,2,0,0,0,0|1,0,0]=3 14857 B12R1.374 CCCCc1cc(ccc1N)Br 271570a_100020621405_100000187925 [0,2,0,0,0,0|1,0,0]=3 14858 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [0,2,0,0,0,0|1,0,0]=3 14859 B12R1.374 CCCCc1cc(ccc1N)Cl 271570a_100020621405_100000761889 [0,2,0,0,0,0|1,0,0]=3 14860 B12R1.374 CCCCc1cc(ccc1N)F 271570a_100020621405_100000760547 [0,2,0,0,0,0|1,0,0]=3 14861 B12R1.374 CCCCc1cc(ccc1N)N 271570a_100020621405_100011534242 [0,2,0,0,0,0|1,0,0]=3 14862 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [0,2,0,0,0,0|1,0,0]=3 14863 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [0,2,0,0,0,0|1,0,0]=3 14864 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,2,0,0,0,0|1,0,0]=3 14865 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [0,2,0,0,0,0|1,0,0]=3 14866 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [0,2,0,0,0,0|1,0,0]=3 14867 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [0,2,0,0,0,0|1,0,0]=3 14868 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [0,2,0,0,0,0|1,0,0]=3 14869 B12R1.374 CCCCc1cc(cnc1Br)N 271570a_100020621405_100010201102 [0,2,0,0,0,0|2,0,0]=4 14870 B12R1.374 CCCCc1cc(cnc1C)Br 271570a_100020621405_200010090566 [0,2,0,0,0,0|2,0,0]=4 14871 B12R1.374 CCCCc1cc(cnc1C)C 271570a_100020621405_100009817436 [0,2,0,0,0,0|2,0,0]=4 14872 B12R1.374 CCCCc1cc(cnc1C)F 271570a_100020621405_100009860710 [0,2,0,0,0,0|2,0,0]=4 14873 B12R1.374 CCCCc1cc(cnc1C)N 271570a_100020621405_100011998591 [0,2,0,0,0,0|2,0,0]=4 14874 B12R1.374 CCCCc1cc(cnc1C)O 271570a_100020621405_100009819603 [0,2,0,0,0,0|2,0,0]=4 14875 B12R1.374 CCCCc1cc(cnc1Cl)Br 271570a_100020621405_100009814771 [0,2,0,0,0,0|2,0,0]=4 14876 B12R1.374 CCCCc1cc(cnc1Cl)C 271570a_100020621405_100010210167 [0,2,0,0,0,0|2,0,0]=4 14877 B12R1.374 CCCCc1cc(cnc1Cl)Cl 271570a_100020621405_200000062399 [0,2,0,0,0,0|2,0,0]=4 14878 B12R1.374 CCCCc1cc(cnc1Cl)N 271570a_100020621405_100010253917 [0,2,0,0,0,0|2,0,0]=4 14879 B12R1.374 CCCCc1cc(cnc1F)Br 271570a_100020621405_100010172738 [0,2,0,0,0,0|2,0,0]=4 14880 B12R1.374 CCCCc1cc(cnc1F)C 271570a_100020621405_100000049784 [0,2,0,0,0,0|2,0,0]=4 14881 B12R1.374 CCCCc1cc(cnc1F)Cl 271570a_100020621405_100010188783 [0,2,0,0,0,0|2,0,0]=4 14882 B12R1.374 CCCCc1cc(cnc1F)F 271570a_100020621405_100009820768 [0,2,0,0,0,0|2,0,0]=4 14883 B12R1.374 CCCCc1cc(cnc1F)N 271570a_100020621405_100009840397 [0,2,0,0,0,0|2,0,0]=4 14884 B12R1.374 CCCCc1cc(cnc1F)O 271570a_100020621405_100009817267 [0,2,0,0,0,0|2,0,0]=4 14885 B12R1.374 CCCCc1cc(cnc1N)Br 271570a_100020621405_100000760472 [0,2,0,0,0,0|2,0,0]=4 14886 B12R1.374 CCCCc1cc(cnc1N)C 271570a_100020621405_100000049664 [0,2,0,0,0,0|2,0,0]=4 14887 B12R1.374 CCCCc1cc(cnc1N)Cl 271570a_100020621405_100000050159 [0,2,0,0,0,0|2,0,0]=4 14888 B12R1.374 CCCCc1cc(cnc1N)F 271570a_100020621405_100009814671 [0,2,0,0,0,0|2,0,0]=4 14889 B12R1.374 CCCCc1cc(cnc1N)N 271570a_100020621405_200011934315 [0,2,0,0,0,0|2,0,0]=4 14890 B12R1.374 CCCCc1cc(cnc1O)Br 271570a_100020621405_100010197142 [0,2,0,0,0,0|2,0,0]=4 14891 B12R1.374 CCCCc1cc(cnc1O)C 271570a_100020621405_100000049931 [0,2,0,0,0,0|2,0,0]=4 14892 B12R1.374 CCCCc1cc(cnc1O)Cl 271570a_100020621405_100010188700 [0,2,0,0,0,0|2,0,0]=4 14893 B12R1.374 CCCCc1cc(ncc1Br)Br 271570a_100020621405_100010171693 [0,2,0,0,0,0|2,0,0]=4 14894 B12R1.374 CCCCc1cc(ncc1Br)Cl 271570a_100020621405_100009815598 [0,2,0,0,0,0|2,0,0]=4 14895 B12R1.374 CCCCc1cc(ncc1C)Br 271570a_100020621405_100010067628 [0,2,0,0,0,0|2,0,0]=4 14896 B12R1.374 CCCCc1cc(ncc1C)C 271570a_100020621405_100009862788 [0,2,0,0,0,0|2,0,0]=4 14897 B12R1.374 CCCCc1cc(ncc1C)Cl 271570a_100020621405_100010068021 [0,2,0,0,0,0|2,0,0]=4 14898 B12R1.374 CCCCc1cc(ncc1C)F 271570a_100020621405_100000049870 [0,2,0,0,0,0|2,0,0]=4 14899 B12R1.374 CCCCc1cc(ncc1C)N 271570a_100020621405_100009819938 [0,2,0,0,0,0|2,0,0]=4 14900 B12R1.374 CCCCc1cc(ncc1C)O 271570a_100020621405_100009831917 [0,2,0,0,0,0|2,0,0]=4 14901 B12R1.374 CCCCc1cc(ncc1Cl)Br 271570a_100020621405_100010223331 [0,2,0,0,0,0|2,0,0]=4 14902 B12R1.374 CCCCc1cc(ncc1Cl)Cl 271570a_100020621405_100010172835 [0,2,0,0,0,0|2,0,0]=4 14903 B12R1.374 CCCCc1cc(ncc1Cl)F 271570a_100020621405_100009892587 [0,2,0,0,0,0|2,0,0]=4 14904 B12R1.374 CCCCc1cc(ncc1Cl)N 271570a_100020621405_100010134119 [0,2,0,0,0,0|2,0,0]=4 14905 B12R1.374 CCCCc1cc(ncc1F)Br 271570a_100020621405_100010193852 [0,2,0,0,0,0|2,0,0]=4 14906 B12R1.374 CCCCc1cc(ncc1F)C 271570a_100020621405_100009867690 [0,2,0,0,0,0|2,0,0]=4 14907 B12R1.374 CCCCc1cc(ncc1F)Cl 271570a_100020621405_100000708277 [0,2,0,0,0,0|2,0,0]=4 14908 B12R1.374 CCCCc1cc(ncc1F)F 271570a_100020621405_100010233071 [0,2,0,0,0,0|2,0,0]=4 14909 B12R1.374 CCCCc1cc(ncc1F)N 271570a_100020621405_100015713587 [0,2,0,0,0,0|2,0,0]=4 14910 B12R1.374 CCCCc1cc(ncc1N)Cl 271570a_100020621405_100000050123 [0,2,0,0,0,0|2,0,0]=4 14911 B12R1.374 CCCCc1cc(ncc1O)C 271570a_100020621405_100009843476 [0,2,0,0,0,0|2,0,0]=4 14912 B12R1.374 CCCCc1cc(ncc1O)Cl 271570a_100020621405_100000698892 [0,2,0,0,0,0|2,0,0]=4 14913 B12R1.374 CCCCc1cn(ccc1=O)C 271570a_100020621405_100010750718 [0,2,0,0,0,0|2,0,0]=4 14914 B12R1.374 CCCCc1nc(ccc1Br)N 271570a_100020621405_100010192275 [0,2,0,0,0,0|2,0,0]=4 14915 B12R1.374 CCCCc1nc(ccc1C)C 271570a_100020621405_100009854376 [0,2,0,0,0,0|2,0,0]=4 14916 B12R1.374 CCCCc1nc(ccc1C)N 271570a_100020621405_100000126722 [0,2,0,0,0,0|2,0,0]=4 14917 B12R1.374 CCCCc1nc(ccc1F)C 271570a_100020621405_100009817602 [0,2,0,0,0,0|2,0,0]=4 14918 B12R1.374 CCCCc1nc(ccc1F)Cl 271570a_100020621405_100010136221 [0,2,0,0,0,0|2,0,0]=4 14919 B12R1.374 CCCCc1nc(ccc1F)F 271570a_100020621405_100010997973 [0,2,0,0,0,0|2,0,0]=4 14920 B12R1.374 CCCCc1nc(ccc1F)N 271570a_100020621405_100010892222 [0,2,0,0,0,0|2,0,0]=4 14921 B12R1.374 CCCCc1nc(ccc1N)Br 271570a_100020621405_100010168765 [0,2,0,0,0,0|2,0,0]=4 14922 B12R1.374 CCCCc1nc(ccc1N)C 271570a_100020621405_100000685570 [0,2,0,0,0,0|2,0,0]=4 14923 B12R1.374 CCCCc1nc(ccc1N)Cl 271570a_100020621405_100010233647 [0,2,0,0,0,0|2,0,0]=4 14924 B12R1.374 CCCCc1nc(ccc1N)F 271570a_100020621405_100009879877 [0,2,0,0,0,0|2,0,0]=4 14925 B12R1.374 CCCCc1nc(ccc1N)N 271570a_100020621405_200009884323 [0,2,0,0,0,0|2,0,0]=4 14926 B12R1.374 CCCCc1nc(ccc1O)Br 271570a_100020621405_100010253912 [0,2,0,0,0,0|2,0,0]=4 14927 B12R1.374 CCCCc1nc(ccc1O)C 271570a_100020621405_100000702858 [0,2,0,0,0,0|2,0,0]=4 14928 B12R1.374 CCCCc1nc(ccc1O)Cl 271570a_100020621405_100000696390 [0,2,0,0,0,0|2,0,0]=4 14929 B12R1.374 CCCCc1nc(ccc1O)F 271570a_100020621405_100010382442 [0,2,0,0,0,0|2,0,0]=4 14930 B12R1.374 CCCNc1cc(ccc1Br)Br 34a_100000737762_100000210303 [0,2,0,0,0,0|2,0,0]=4 14931 B12R1.374 CCCNc1cc(ccc1Br)C 34a_100000745044_100000210303 [0,2,0,0,0,0|2,0,0]=4 14932 B12R1.374 CCCNc1cc(ccc1Br)Cl 34a_100000687073_100000210303 [0,2,0,0,0,0|2,0,0]=4 14933 B12R1.374 CCCNc1cc(ccc1Br)F 34a_100000687223_100000210303 [0,2,0,0,0,0|2,0,0]=4 14934 B12R1.374 CCCNc1cc(ccc1Br)O 34a_100011999798_100000210303 [0,2,0,0,0,0|2,0,0]=4 14935 B12R1.374 CCCNc1cc(ccc1C)Br 34a_100000741167_100000210303 [0,2,0,0,0,0|2,0,0]=4 14936 B12R1.374 CCCNc1cc(ccc1C)Br 7a_100000741167_100000210303 [0,2,0,0,0,0|2,0,0]=4 14937 B12R1.374 CCCNc1cc(ccc1C)C 2230a_100000185781_100000210303 [0,2,0,0,0,0|2,0,0]=4 14938 B12R1.374 CCCNc1cc(ccc1C)C 34a_100000185781_100000210303 [0,2,0,0,0,0|2,0,0]=4 14939 B12R1.374 CCCNc1cc(ccc1C)C 7a_100000185781_100000210303 [0,2,0,0,0,0|2,0,0]=4 14940 B12R1.374 CCCNc1cc(ccc1C)Cl 34a_100000211374_100000210303 [0,2,0,0,0,0|2,0,0]=4 14941 B12R1.374 CCCNc1cc(ccc1C)Cl 7a_100000211374_100000210303 [0,2,0,0,0,0|2,0,0]=4 14942 B12R1.374 CCCNc1cc(ccc1C)F 34a_100000211107_100000210303 [0,2,0,0,0,0|2,0,0]=4 14943 B12R1.374 CCCNc1cc(ccc1C)F 7a_100000211107_100000210303 [0,2,0,0,0,0|2,0,0]=4 14944 B12R1.374 CCCNc1cc(ccc1C)I 7a_100000761890_100000210303 [0,2,0,0,0,0|2,0,0]=4 14945 B12R1.374 CCCNc1cc(ccc1C)O 34a_100011216113_100000210303 [0,2,0,0,0,0|2,0,0]=4 14946 B12R1.374 CCCNc1cc(ccc1Cl)Br 34a_100000750497_100000210303 [0,2,0,0,0,0|2,0,0]=4 14947 B12R1.374 CCCNc1cc(ccc1Cl)C 34a_100011215360_100000210303 [0,2,0,0,0,0|2,0,0]=4 14948 B12R1.374 CCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210303 [0,2,0,0,0,0|2,0,0]=4 14949 B12R1.374 CCCNc1cc(ccc1Cl)F 34a_100000751338_100000210303 [0,2,0,0,0,0|2,0,0]=4 14950 B12R1.374 CCCNc1cc(ccc1Cl)I 34a_200000761891_100000210303 [0,2,0,0,0,0|2,0,0]=4 14951 B12R1.374 CCCNc1cc(ccc1Cl)O 34a_100011934297_100000210303 [0,2,0,0,0,0|2,0,0]=4 14952 B12R1.374 CCCNc1cc(ccc1F)Br 34a_100000740924_100000210303 [0,2,0,0,0,0|2,0,0]=4 14953 B12R1.374 CCCNc1cc(ccc1F)C 34a_100000211285_100000210303 [0,2,0,0,0,0|2,0,0]=4 14954 B12R1.374 CCCNc1cc(ccc1F)Cl 34a_100000212115_100000210303 [0,2,0,0,0,0|2,0,0]=4 14955 B12R1.374 CCCNc1cc(ccc1F)F 34a_100000210742_100000210303 [0,2,0,0,0,0|2,0,0]=4 14956 B12R1.374 CCCNc1cc(ccc1F)I 34a_100011464823_100000210303 [0,2,0,0,0,0|2,0,0]=4 14957 B12R1.374 CCCNc1cc(ccc1F)O 34a_100012017239_100000210303 [0,2,0,0,0,0|2,0,0]=4 14958 B12R1.374 CCCNc1cc(ccc1I)Br 34a_100000743836_100000210303 [0,2,0,0,0,0|2,0,0]=4 14959 B12R1.374 CCCNc1cc(ccc1I)C 34a_100011216686_100000210303 [0,2,0,0,0,0|2,0,0]=4 14960 B12R1.374 CCCNc1cc(ccc1I)Cl 34a_100000761886_100000210303 [0,2,0,0,0,0|2,0,0]=4 14961 B12R1.374 CCCNc1cc(ccc1I)F 34a_100011218093_100000210303 [0,2,0,0,0,0|2,0,0]=4 14962 B12R1.374 CCCNc1cc(ccc1O)Br 34a_100000752626_100000210303 [0,2,0,0,0,0|2,0,0]=4 14963 B12R1.374 CCCNc1cc(ccc1O)C 34a_100011215204_100000210303 [0,2,0,0,0,0|2,0,0]=4 14964 B12R1.374 CCCNc1cc(ccc1O)Cl 34a_100000210500_100000210303 [0,2,0,0,0,0|2,0,0]=4 14965 B12R1.374 CCCNc1cc(ccc1O)F 34a_100000759472_100000210303 [0,2,0,0,0,0|2,0,0]=4 14966 B12R1.374 CCCOc1cc(ccc1Br)Br 34a_100011220040_100000210303 [0,2,0,0,0,0|2,0,0]=4 14967 B12R1.374 CCCOc1cc(ccc1Br)Br 7a_100011220040_100000210303 [0,2,0,0,0,0|2,0,0]=4 14968 B12R1.374 CCCOc1cc(ccc1Br)C 34a_100012002257_100000210303 [0,2,0,0,0,0|2,0,0]=4 14969 B12R1.374 CCCOc1cc(ccc1Br)C 7a_100012002257_100000210303 [0,2,0,0,0,0|2,0,0]=4 14970 B12R1.374 CCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210303 [0,2,0,0,0,0|2,0,0]=4 14971 B12R1.374 CCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210303 [0,2,0,0,0,0|2,0,0]=4 14972 B12R1.374 CCCOc1cc(ccc1Br)F 34a_100000690578_100000210303 [0,2,0,0,0,0|2,0,0]=4 14973 B12R1.374 CCCOc1cc(ccc1Br)F 7a_100000690578_100000210303 [0,2,0,0,0,0|2,0,0]=4 14974 B12R1.374 CCCOc1cc(ccc1Br)I 34a_100012356990_100000210303 [0,2,0,0,0,0|2,0,0]=4 14975 B12R1.374 CCCOc1cc(ccc1Br)I 7a_100012356990_100000210303 [0,2,0,0,0,0|2,0,0]=4 14976 B12R1.374 CCCOc1cc(ccc1C)Br 34a_100000685420_100000210303 [0,2,0,0,0,0|2,0,0]=4 14977 B12R1.374 CCCOc1cc(ccc1C)Br 7a_100000685420_100000210303 [0,2,0,0,0,0|2,0,0]=4 14978 B12R1.374 CCCOc1cc(ccc1C)C 34a_100000210931_100000210303 [0,2,0,0,0,0|2,0,0]=4 14979 B12R1.374 CCCOc1cc(ccc1C)C 7a_100000210931_100000210303 [0,2,0,0,0,0|2,0,0]=4 14980 B12R1.374 CCCOc1cc(ccc1C)Cl 34a_100000756515_100000210303 [0,2,0,0,0,0|2,0,0]=4 14981 B12R1.374 CCCOc1cc(ccc1C)Cl 7a_100000756515_100000210303 [0,2,0,0,0,0|2,0,0]=4 14982 B12R1.374 CCCOc1cc(ccc1C)F 34a_100000690566_100000210303 [0,2,0,0,0,0|2,0,0]=4 14983 B12R1.374 CCCOc1cc(ccc1C)F 7a_100000690566_100000210303 [0,2,0,0,0,0|2,0,0]=4 14984 B12R1.374 CCCOc1cc(ccc1C)I 7a_100000766334_100000210303 [0,2,0,0,0,0|2,0,0]=4 14985 B12R1.374 CCCOc1cc(ccc1C)N 34a_100000759471_100000210303 [0,2,0,0,0,0|2,0,0]=4 14986 B12R1.374 CCCOc1cc(ccc1C)N 7a_100000759471_100000210303 [0,2,0,0,0,0|2,0,0]=4 14987 B12R1.374 CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210303 [0,2,0,0,0,0|2,0,0]=4 14988 B12R1.374 CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210303 [0,2,0,0,0,0|2,0,0]=4 14989 B12R1.374 CCCOc1cc(ccc1Cl)C 34a_100000211493_100000210303 [0,2,0,0,0,0|2,0,0]=4 14990 B12R1.374 CCCOc1cc(ccc1Cl)C 7a_100000211493_100000210303 [0,2,0,0,0,0|2,0,0]=4 14991 B12R1.374 CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210303 [0,2,0,0,0,0|2,0,0]=4 14992 B12R1.374 CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210303 [0,2,0,0,0,0|2,0,0]=4 14993 B12R1.374 CCCOc1cc(ccc1Cl)F 34a_100000692107_100000210303 [0,2,0,0,0,0|2,0,0]=4 14994 B12R1.374 CCCOc1cc(ccc1Cl)F 7a_100000692107_100000210303 [0,2,0,0,0,0|2,0,0]=4 14995 B12R1.374 CCCOc1cc(ccc1Cl)I 34a_100011356854_100000210303 [0,2,0,0,0,0|2,0,0]=4 14996 B12R1.374 CCCOc1cc(ccc1Cl)I 7a_100011356854_100000210303 [0,2,0,0,0,0|2,0,0]=4 14997 B12R1.374 CCCOc1cc(ccc1Cl)N 34a_100011934209_100000210303 [0,2,0,0,0,0|2,0,0]=4 14998 B12R1.374 CCCOc1cc(ccc1F)Br 34a_100000686035_100000210303 [0,2,0,0,0,0|2,0,0]=4 14999 B12R1.374 CCCOc1cc(ccc1F)Br 7a_100000686035_100000210303 [0,2,0,0,0,0|2,0,0]=4 15000 B12R1.374 CCCOc1cc(ccc1F)C 34a_100000759540_100000210303 [0,2,0,0,0,0|2,0,0]=4 15001 B12R1.374 CCCOc1cc(ccc1F)C 7a_100000759540_100000210303 [0,2,0,0,0,0|2,0,0]=4 15002 B12R1.374 CCCOc1cc(ccc1F)Cl 34a_100000757397_100000210303 [0,2,0,0,0,0|2,0,0]=4 15003 B12R1.374 CCCOc1cc(ccc1F)Cl 7a_100000757397_100000210303 [0,2,0,0,0,0|2,0,0]=4 15004 B12R1.374 CCCOc1cc(ccc1F)F 34a_100000752141_100000210303 [0,2,0,0,0,0|2,0,0]=4 15005 B12R1.374 CCCOc1cc(ccc1F)F 7a_100000752141_100000210303 [0,2,0,0,0,0|2,0,0]=4 15006 B12R1.374 CCCOc1cc(ccc1F)I 34a_100009958187_100000210303 [0,2,0,0,0,0|2,0,0]=4 15007 B12R1.374 CCCOc1cc(ccc1F)I 7a_100009958187_100000210303 [0,2,0,0,0,0|2,0,0]=4 15008 B12R1.374 CCCOc1cc(ccc1F)N 34a_100012017398_100000210303 [0,2,0,0,0,0|2,0,0]=4 15009 B12R1.374 CCCOc1cc(ccc1F)N 7a_100012017398_100000210303 [0,2,0,0,0,0|2,0,0]=4 15010 B12R1.374 CCCOc1cc(ccc1I)Br 34a_100012344904_100000210303 [0,2,0,0,0,0|2,0,0]=4 15011 B12R1.374 CCCOc1cc(ccc1I)Br 7a_100012344904_100000210303 [0,2,0,0,0,0|2,0,0]=4 15012 B12R1.374 CCCOc1cc(ccc1I)Cl 34a_100000050036_100000210303 [0,2,0,0,0,0|2,0,0]=4 15013 B12R1.374 CCCOc1cc(ccc1I)Cl 7a_100000050036_100000210303 [0,2,0,0,0,0|2,0,0]=4 15014 B12R1.374 CCCOc1cc(ccc1I)F 34a_100010084537_100000210303 [0,2,0,0,0,0|2,0,0]=4 15015 B12R1.374 CCCOc1cc(ccc1I)F 7a_100010084537_100000210303 [0,2,0,0,0,0|2,0,0]=4 15016 B12R1.374 CCCOc1cc(ccc1N)Br 34a_100000739049_100000210303 [0,2,0,0,0,0|2,0,0]=4 15017 B12R1.374 CCCOc1cc(ccc1N)Br 7a_100000739049_100000210303 [0,2,0,0,0,0|2,0,0]=4 15018 B12R1.374 CCCOc1cc(ccc1N)C 34a_100000211527_100000210303 [0,2,0,0,0,0|2,0,0]=4 15019 B12R1.374 CCCOc1cc(ccc1N)C 7a_100000211527_100000210303 [0,2,0,0,0,0|2,0,0]=4 15020 B12R1.374 CCCOc1cc(ccc1N)Cl 34a_100000185728_100000210303 [0,2,0,0,0,0|2,0,0]=4 15021 B12R1.374 CCCOc1cc(ccc1N)Cl 7a_100000185728_100000210303 [0,2,0,0,0,0|2,0,0]=4 15022 B12R1.374 CCCOc1cc(ccc1N)F 34a_100000753323_100000210303 [0,2,0,0,0,0|2,0,0]=4 15023 B12R1.374 CCCOc1cc(ccc1N)F 7a_100000753323_100000210303 [0,2,0,0,0,0|2,0,0]=4 15024 B12R1.374 CCCOc1cc(ccc1N)I 34a_100000057187_100000210303 [0,2,0,0,0,0|2,0,0]=4 15025 B12R1.374 CCCOc1cc(ccc1N)I 7a_100000057187_100000210303 [0,2,0,0,0,0|2,0,0]=4 15026 B12R1.374 CCCOc1cc(ccc1N)N 34a_100025717382_100000210303 [0,2,0,0,0,0|2,0,0]=4 15027 B12R1.374 CCCOc1cc(ccc1O)F 271570a_203496583355_200012344540 [0,2,0,0,0,0|2,0,0]=4 15028 B12R1.374 CCCSc1cc(ccc1Br)Br 62a_100000210303_100011483371 [0,2,0,0,0,0|2,0,0]=4 15029 B12R1.374 CCCSc1cc(ccc1Br)Br 62a_100011483371_100000210303 [0,2,0,0,0,0|2,0,0]=4 15030 B12R1.374 CCCSc1cc(ccc1Br)C 62a_100000210303_100012353751 [0,2,0,0,0,0|2,0,0]=4 15031 B12R1.374 CCCSc1cc(ccc1Br)C 62a_100012353751_100000210303 [0,2,0,0,0,0|2,0,0]=4 15032 B12R1.374 CCCSc1cc(ccc1Br)Cl 62a_100000210303_100012339723 [0,2,0,0,0,0|2,0,0]=4 15033 B12R1.374 CCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210303 [0,2,0,0,0,0|2,0,0]=4 15034 B12R1.374 CCCSc1cc(ccc1Br)F 62a_100000210303_100011217576 [0,2,0,0,0,0|2,0,0]=4 15035 B12R1.374 CCCSc1cc(ccc1Br)F 62a_100011217576_100000210303 [0,2,0,0,0,0|2,0,0]=4 15036 B12R1.374 CCCSc1cc(ccc1Br)N 62a_100000210303_100000750459 [0,2,0,0,0,0|2,0,0]=4 15037 B12R1.374 CCCSc1cc(ccc1Br)N 62a_100000750459_100000210303 [0,2,0,0,0,0|2,0,0]=4 15038 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100000210303_100012339312 [0,2,0,0,0,0|2,0,0]=4 15039 B12R1.374 CCCSc1cc(ccc1Br)O 62a_100012339312_100000210303 [0,2,0,0,0,0|2,0,0]=4 15040 B12R1.374 CCCSc1cc(ccc1C)Br 62a_100000210303_100011344865 [0,2,0,0,0,0|2,0,0]=4 15041 B12R1.374 CCCSc1cc(ccc1C)Br 62a_100011344865_100000210303 [0,2,0,0,0,0|2,0,0]=4 15042 B12R1.374 CCCSc1cc(ccc1C)C 62a_100000210303_100000210833 [0,2,0,0,0,0|2,0,0]=4 15043 B12R1.374 CCCSc1cc(ccc1C)C 62a_100000210833_100000210303 [0,2,0,0,0,0|2,0,0]=4 15044 B12R1.374 CCCSc1cc(ccc1C)Cl 62a_100000210303_100011263213 [0,2,0,0,0,0|2,0,0]=4 15045 B12R1.374 CCCSc1cc(ccc1C)Cl 62a_100011263213_100000210303 [0,2,0,0,0,0|2,0,0]=4 15046 B12R1.374 CCCSc1cc(ccc1C)F 62a_100000210303_100011218078 [0,2,0,0,0,0|2,0,0]=4 15047 B12R1.374 CCCSc1cc(ccc1C)F 62a_100011218078_100000210303 [0,2,0,0,0,0|2,0,0]=4 15048 B12R1.374 CCCSc1cc(ccc1C)N 62a_100000210303_100000736455 [0,2,0,0,0,0|2,0,0]=4 15049 B12R1.374 CCCSc1cc(ccc1C)N 62a_100000736455_100000210303 [0,2,0,0,0,0|2,0,0]=4 15050 B12R1.374 CCCSc1cc(ccc1C)O 62a_100000210303_100011380479 [0,2,0,0,0,0|2,0,0]=4 15051 B12R1.374 CCCSc1cc(ccc1C)O 62a_100011380479_100000210303 [0,2,0,0,0,0|2,0,0]=4 15052 B12R1.374 CCCSc1cc(ccc1Cl)Br 62a_100000210303_100011772130 [0,2,0,0,0,0|2,0,0]=4 15053 B12R1.374 CCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210303 [0,2,0,0,0,0|2,0,0]=4 15054 B12R1.374 CCCSc1cc(ccc1Cl)C 62a_100000210303_100012356289 [0,2,0,0,0,0|2,0,0]=4 15055 B12R1.374 CCCSc1cc(ccc1Cl)C 62a_100012356289_100000210303 [0,2,0,0,0,0|2,0,0]=4 15056 B12R1.374 CCCSc1cc(ccc1Cl)Cl 62a_100000210303_100000707729 [0,2,0,0,0,0|2,0,0]=4 15057 B12R1.374 CCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210303 [0,2,0,0,0,0|2,0,0]=4 15058 B12R1.374 CCCSc1cc(ccc1Cl)F 62a_100000210303_100011217299 [0,2,0,0,0,0|2,0,0]=4 15059 B12R1.374 CCCSc1cc(ccc1Cl)F 62a_100011217299_100000210303 [0,2,0,0,0,0|2,0,0]=4 15060 B12R1.374 CCCSc1cc(ccc1Cl)N 62a_100000210303_100012360549 [0,2,0,0,0,0|2,0,0]=4 15061 B12R1.374 CCCSc1cc(ccc1Cl)N 62a_100012360549_100000210303 [0,2,0,0,0,0|2,0,0]=4 15062 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000049588_100000210303 [0,2,0,0,0,0|2,0,0]=4 15063 B12R1.374 CCCSc1cc(ccc1Cl)O 62a_100000210303_100000049588 [0,2,0,0,0,0|2,0,0]=4 15064 B12R1.374 CCCSc1cc(ccc1F)Br 62a_100000210303_100011217312 [0,2,0,0,0,0|2,0,0]=4 15065 B12R1.374 CCCSc1cc(ccc1F)Br 62a_100011217312_100000210303 [0,2,0,0,0,0|2,0,0]=4 15066 B12R1.374 CCCSc1cc(ccc1F)C 62a_100000210303_100000736223 [0,2,0,0,0,0|2,0,0]=4 15067 B12R1.374 CCCSc1cc(ccc1F)C 62a_100000736223_100000210303 [0,2,0,0,0,0|2,0,0]=4 15068 B12R1.374 CCCSc1cc(ccc1F)Cl 62a_100000210303_100011218116 [0,2,0,0,0,0|2,0,0]=4 15069 B12R1.374 CCCSc1cc(ccc1F)Cl 62a_100011218116_100000210303 [0,2,0,0,0,0|2,0,0]=4 15070 B12R1.374 CCCSc1cc(ccc1F)F 62a_100000210303_100011219198 [0,2,0,0,0,0|2,0,0]=4 15071 B12R1.374 CCCSc1cc(ccc1F)F 62a_100011219198_100000210303 [0,2,0,0,0,0|2,0,0]=4 15072 B12R1.374 CCCSc1cc(ccc1F)N 62a_100000210303_100000760356 [0,2,0,0,0,0|2,0,0]=4 15073 B12R1.374 CCCSc1cc(ccc1F)N 62a_100000760356_100000210303 [0,2,0,0,0,0|2,0,0]=4 15074 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000210303_100000693481 [0,2,0,0,0,0|2,0,0]=4 15075 B12R1.374 CCCSc1cc(ccc1F)O 62a_100000693481_100000210303 [0,2,0,0,0,0|2,0,0]=4 15076 B12R1.374 CCCSc1cc(ccc1N)Br 62a_100000187925_100000210303 [0,2,0,0,0,0|2,0,0]=4 15077 B12R1.374 CCCSc1cc(ccc1N)Br 62a_100000210303_100000187925 [0,2,0,0,0,0|2,0,0]=4 15078 B12R1.374 CCCSc1cc(ccc1N)C 62a_100000210303_100011356834 [0,2,0,0,0,0|2,0,0]=4 15079 B12R1.374 CCCSc1cc(ccc1N)C 62a_100011356834_100000210303 [0,2,0,0,0,0|2,0,0]=4 15080 B12R1.374 CCCSc1cc(ccc1N)Cl 62a_100000210303_100000761889 [0,2,0,0,0,0|2,0,0]=4 15081 B12R1.374 CCCSc1cc(ccc1N)Cl 62a_100000761889_100000210303 [0,2,0,0,0,0|2,0,0]=4 15082 B12R1.374 CCCSc1cc(ccc1N)F 62a_100000210303_100000760547 [0,2,0,0,0,0|2,0,0]=4 15083 B12R1.374 CCCSc1cc(ccc1N)F 62a_100000760547_100000210303 [0,2,0,0,0,0|2,0,0]=4 15084 B12R1.374 CCCSc1cc(ccc1N)N 62a_100000210303_100011534242 [0,2,0,0,0,0|2,0,0]=4 15085 B12R1.374 CCCSc1cc(ccc1N)N 62a_100011534242_100000210303 [0,2,0,0,0,0|2,0,0]=4 15086 B12R1.374 CCCSc1cc(ccc1N)O 62a_100000210303_100012001276 [0,2,0,0,0,0|2,0,0]=4 15087 B12R1.374 CCCSc1cc(ccc1N)O 62a_100012001276_100000210303 [0,2,0,0,0,0|2,0,0]=4 15088 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100000210303_100012355227 [0,2,0,0,0,0|2,0,0]=4 15089 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100012355227_100000210303 [0,2,0,0,0,0|2,0,0]=4 15090 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000210303_100000765521 [0,2,0,0,0,0|2,0,0]=4 15091 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000765521_100000210303 [0,2,0,0,0,0|2,0,0]=4 15092 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100000210303_100011356953 [0,2,0,0,0,0|2,0,0]=4 15093 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100011356953_100000210303 [0,2,0,0,0,0|2,0,0]=4 15094 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000210303_100000211999 [0,2,0,0,0,0|2,0,0]=4 15095 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000211999_100000210303 [0,2,0,0,0,0|2,0,0]=4 15096 B12R1.374 CCCSc1cc(ccc1O)N 62a_100000210303_100011534360 [0,2,0,0,0,0|2,0,0]=4 15097 B12R1.374 CCCSc1cc(ccc1O)N 62a_100011534360_100000210303 [0,2,0,0,0,0|2,0,0]=4 15098 B12R1.374 CCCSc1cc(ccc1O)O 62a_100000210303_100009813629 [0,2,0,0,0,0|2,0,0]=4 15099 B12R1.374 CCNCc1cc(ccc1Br)Br 207a_100015525214_100011266429 [0,2,0,0,0,0|2,0,0]=4 15100 B12R1.374 CCNCc1cc(ccc1Br)Br 2230a_100015525214_100011982794 [0,2,0,0,0,0|2,0,0]=4 15101 B12R1.374 CCNCc1cc(ccc1Br)Br 270004a_100015525214_100011266429 [0,2,0,0,0,0|2,0,0]=4 15102 B12R1.374 CCNCc1cc(ccc1Br)Br 34a_100000707832_100000210202 [0,2,0,0,0,0|2,0,0]=4 15103 B12R1.374 CCNCc1cc(ccc1Br)C 207a_100015525214_100011551863 [0,2,0,0,0,0|2,0,0]=4 15104 B12R1.374 CCNCc1cc(ccc1Br)C 270004a_100015525214_100011551863 [0,2,0,0,0,0|2,0,0]=4 15105 B12R1.374 CCNCc1cc(ccc1Br)Cl 207a_100015525214_100000746314 [0,2,0,0,0,0|2,0,0]=4 15106 B12R1.374 CCNCc1cc(ccc1Br)Cl 2230a_100015525214_100000733903 [0,2,0,0,0,0|2,0,0]=4 15107 B12R1.374 CCNCc1cc(ccc1Br)Cl 270004a_100015525214_100000746314 [0,2,0,0,0,0|2,0,0]=4 15108 B12R1.374 CCNCc1cc(ccc1Br)F 207a_100015525214_100000766564 [0,2,0,0,0,0|2,0,0]=4 15109 B12R1.374 CCNCc1cc(ccc1Br)F 2230a_100000742738_100000210202 [0,2,0,0,0,0|2,0,0]=4 15110 B12R1.374 CCNCc1cc(ccc1Br)F 2230a_100015525214_100000736370 [0,2,0,0,0,0|2,0,0]=4 15111 B12R1.374 CCNCc1cc(ccc1Br)F 270004a_100015525214_100000766564 [0,2,0,0,0,0|2,0,0]=4 15112 B12R1.374 CCNCc1cc(ccc1Br)F 34a_100000742738_100000210202 [0,2,0,0,0,0|2,0,0]=4 15113 B12R1.374 CCNCc1cc(ccc1Br)I 207a_100015525214_100010185652 [0,2,0,0,0,0|2,0,0]=4 15114 B12R1.374 CCNCc1cc(ccc1Br)I 2230a_100015525214_100012355412 [0,2,0,0,0,0|2,0,0]=4 15115 B12R1.374 CCNCc1cc(ccc1C)Br 207a_100015525214_100011361606 [0,2,0,0,0,0|2,0,0]=4 15116 B12R1.374 CCNCc1cc(ccc1C)Br 270004a_100015525214_100011361606 [0,2,0,0,0,0|2,0,0]=4 15117 B12R1.374 CCNCc1cc(ccc1C)C 207a_100015525214_100000211343 [0,2,0,0,0,0|2,0,0]=4 15118 B12R1.374 CCNCc1cc(ccc1C)C 2230a_100015525214_100000184699 [0,2,0,0,0,0|2,0,0]=4 15119 B12R1.374 CCNCc1cc(ccc1C)C 270004a_100015525214_100000211343 [0,2,0,0,0,0|2,0,0]=4 15120 B12R1.374 CCNCc1cc(ccc1C)C 34a_100000174964_100000210202 [0,2,0,0,0,0|2,0,0]=4 15121 B12R1.374 CCNCc1cc(ccc1C)Cl 207a_100015525214_100011551331 [0,2,0,0,0,0|2,0,0]=4 15122 B12R1.374 CCNCc1cc(ccc1C)Cl 2230a_100015525214_100012186985 [0,2,0,0,0,0|2,0,0]=4 15123 B12R1.374 CCNCc1cc(ccc1C)Cl 270004a_100015525214_100011551331 [0,2,0,0,0,0|2,0,0]=4 15124 B12R1.374 CCNCc1cc(ccc1C)Cl 34a_100000717755_100000210202 [0,2,0,0,0,0|2,0,0]=4 15125 B12R1.374 CCNCc1cc(ccc1C)F 207a_100015525214_100000697687 [0,2,0,0,0,0|2,0,0]=4 15126 B12R1.374 CCNCc1cc(ccc1C)F 2230a_100015525214_100000709795 [0,2,0,0,0,0|2,0,0]=4 15127 B12R1.374 CCNCc1cc(ccc1C)F 270004a_100015525214_100000697687 [0,2,0,0,0,0|2,0,0]=4 15128 B12R1.374 CCNCc1cc(ccc1C)F 34a_100011217291_100000210202 [0,2,0,0,0,0|2,0,0]=4 15129 B12R1.374 CCNCc1cc(ccc1C)O 34a_200009844824_100000210202 [0,2,0,0,0,0|2,0,0]=4 15130 B12R1.374 CCNCc1cc(ccc1Cl)Br 207a_100015525214_100000746309 [0,2,0,0,0,0|2,0,0]=4 15131 B12R1.374 CCNCc1cc(ccc1Cl)Br 2230a_100015525214_100000763347 [0,2,0,0,0,0|2,0,0]=4 15132 B12R1.374 CCNCc1cc(ccc1Cl)Br 270004a_100015525214_100000746309 [0,2,0,0,0,0|2,0,0]=4 15133 B12R1.374 CCNCc1cc(ccc1Cl)Br 34a_100025772652_100000210202 [0,2,0,0,0,0|2,0,0]=4 15134 B12R1.374 CCNCc1cc(ccc1Cl)C 207a_100015525214_100011551332 [0,2,0,0,0,0|2,0,0]=4 15135 B12R1.374 CCNCc1cc(ccc1Cl)C 2230a_100015525214_100009871730 [0,2,0,0,0,0|2,0,0]=4 15136 B12R1.374 CCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210202 [0,2,0,0,0,0|2,0,0]=4 15137 B12R1.374 CCNCc1cc(ccc1Cl)C 270004a_100015525214_100011551332 [0,2,0,0,0,0|2,0,0]=4 15138 B12R1.374 CCNCc1cc(ccc1Cl)C 34a_100025705715_100000210202 [0,2,0,0,0,0|2,0,0]=4 15139 B12R1.374 CCNCc1cc(ccc1Cl)Cl 207a_100015525214_100000746308 [0,2,0,0,0,0|2,0,0]=4 15140 B12R1.374 CCNCc1cc(ccc1Cl)Cl 2230a_100015525214_100000756322 [0,2,0,0,0,0|2,0,0]=4 15141 B12R1.374 CCNCc1cc(ccc1Cl)Cl 270004a_100015525214_100000746308 [0,2,0,0,0,0|2,0,0]=4 15142 B12R1.374 CCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000210202 [0,2,0,0,0,0|2,0,0]=4 15143 B12R1.374 CCNCc1cc(ccc1Cl)F 207a_100015525214_100011218309 [0,2,0,0,0,0|2,0,0]=4 15144 B12R1.374 CCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210202 [0,2,0,0,0,0|2,0,0]=4 15145 B12R1.374 CCNCc1cc(ccc1Cl)F 2230a_100015525214_100000709952 [0,2,0,0,0,0|2,0,0]=4 15146 B12R1.374 CCNCc1cc(ccc1Cl)F 270004a_100015525214_100011218309 [0,2,0,0,0,0|2,0,0]=4 15147 B12R1.374 CCNCc1cc(ccc1Cl)F 34a_100011830483_100000210202 [0,2,0,0,0,0|2,0,0]=4 15148 B12R1.374 CCNCc1cc(ccc1Cl)I 207a_100015525214_100010254384 [0,2,0,0,0,0|2,0,0]=4 15149 B12R1.374 CCNCc1cc(ccc1Cl)I 2230a_100015525214_100010188191 [0,2,0,0,0,0|2,0,0]=4 15150 B12R1.374 CCNCc1cc(ccc1F)Br 207a_100015525214_100000211465 [0,2,0,0,0,0|2,0,0]=4 15151 B12R1.374 CCNCc1cc(ccc1F)Br 2230a_100015525214_100000736399 [0,2,0,0,0,0|2,0,0]=4 15152 B12R1.374 CCNCc1cc(ccc1F)Br 270004a_100015525214_100000211465 [0,2,0,0,0,0|2,0,0]=4 15153 B12R1.374 CCNCc1cc(ccc1F)Br 34a_100009815772_100000210202 [0,2,0,0,0,0|2,0,0]=4 15154 B12R1.374 CCNCc1cc(ccc1F)C 207a_100015525214_100000756917 [0,2,0,0,0,0|2,0,0]=4 15155 B12R1.374 CCNCc1cc(ccc1F)C 2230a_100015525214_100011260760 [0,2,0,0,0,0|2,0,0]=4 15156 B12R1.374 CCNCc1cc(ccc1F)C 270004a_100015525214_100000756917 [0,2,0,0,0,0|2,0,0]=4 15157 B12R1.374 CCNCc1cc(ccc1F)C 34a_100102693586_100000210202 [0,2,0,0,0,0|2,0,0]=4 15158 B12R1.374 CCNCc1cc(ccc1F)Cl 207a_100015525214_100000745245 [0,2,0,0,0,0|2,0,0]=4 15159 B12R1.374 CCNCc1cc(ccc1F)Cl 2230a_100015525214_100000716957 [0,2,0,0,0,0|2,0,0]=4 15160 B12R1.374 CCNCc1cc(ccc1F)Cl 270004a_100015525214_100000745245 [0,2,0,0,0,0|2,0,0]=4 15161 B12R1.374 CCNCc1cc(ccc1F)Cl 34a_100011211646_100000210202 [0,2,0,0,0,0|2,0,0]=4 15162 B12R1.374 CCNCc1cc(ccc1F)F 207a_100015525214_100000740046 [0,2,0,0,0,0|2,0,0]=4 15163 B12R1.374 CCNCc1cc(ccc1F)F 2230a_100015525214_100000741279 [0,2,0,0,0,0|2,0,0]=4 15164 B12R1.374 CCNCc1cc(ccc1F)F 270004a_100015525214_100000740046 [0,2,0,0,0,0|2,0,0]=4 15165 B12R1.374 CCNCc1cc(ccc1F)F 34a_100000752317_100000210202 [0,2,0,0,0,0|2,0,0]=4 15166 B12R1.374 CCNCc1cc(ccc1F)I 207a_100015525214_100000050626 [0,2,0,0,0,0|2,0,0]=4 15167 B12R1.374 CCNCc1cc(ccc1F)I 2230a_100015525214_200010149601 [0,2,0,0,0,0|2,0,0]=4 15168 B12R1.374 CCNCc1cc(ccc1F)O 271570a_203496583355_100000748473 [0,2,0,0,0,0|2,0,0]=4 15169 B12R1.374 CCNCc1cc(ccc1I)Br 207a_100015525214_100010185651 [0,2,0,0,0,0|2,0,0]=4 15170 B12R1.374 CCNCc1cc(ccc1I)Br 2230a_100015525214_100012362523 [0,2,0,0,0,0|2,0,0]=4 15171 B12R1.374 CCNCc1cc(ccc1I)Br 270004a_100015525214_100010185651 [0,2,0,0,0,0|2,0,0]=4 15172 B12R1.374 CCNCc1cc(ccc1I)C 207a_100015525214_100010150105 [0,2,0,0,0,0|2,0,0]=4 15173 B12R1.374 CCNCc1cc(ccc1I)C 270004a_100015525214_100010150105 [0,2,0,0,0,0|2,0,0]=4 15174 B12R1.374 CCNCc1cc(ccc1I)Cl 207a_100015525214_100010254386 [0,2,0,0,0,0|2,0,0]=4 15175 B12R1.374 CCNCc1cc(ccc1I)Cl 2230a_100015525214_100012348826 [0,2,0,0,0,0|2,0,0]=4 15176 B12R1.374 CCNCc1cc(ccc1I)Cl 270004a_100015525214_100010254386 [0,2,0,0,0,0|2,0,0]=4 15177 B12R1.374 CCNCc1cc(ccc1I)F 207a_100015525214_100010186294 [0,2,0,0,0,0|2,0,0]=4 15178 B12R1.374 CCNCc1cc(ccc1I)F 2230a_100015525214_100010149606 [0,2,0,0,0,0|2,0,0]=4 15179 B12R1.374 CCNCc1cc(ccc1I)F 270004a_100015525214_100010186294 [0,2,0,0,0,0|2,0,0]=4 15180 B12R1.374 CCNCc1cc(ccc1O)Br 34a_100000730032_100000210202 [0,2,0,0,0,0|2,0,0]=4 15181 B12R1.374 CCNCc1cc(ccc1O)Cl 34a_100000238540_100000210202 [0,2,0,0,0,0|2,0,0]=4 15182 B12R1.374 CCNCc1cc(ccc1O)O 271570a_203496583355_100000765307 [0,2,0,0,0,0|2,0,0]=4 15183 B12R1.374 CCOCc1cc(ccc1Br)Br 34a_100011266457_100000210202 [0,2,0,0,0,0|2,0,0]=4 15184 B12R1.374 CCOCc1cc(ccc1Br)Br 34a_100121572206_100011982794 [0,2,0,0,0,0|2,0,0]=4 15185 B12R1.374 CCOCc1cc(ccc1Br)Br 7a_100011266457_100000210202 [0,2,0,0,0,0|2,0,0]=4 15186 B12R1.374 CCOCc1cc(ccc1Br)C 34a_100012361352_100000210202 [0,2,0,0,0,0|2,0,0]=4 15187 B12R1.374 CCOCc1cc(ccc1Br)C 7a_100012361352_100000210202 [0,2,0,0,0,0|2,0,0]=4 15188 B12R1.374 CCOCc1cc(ccc1Br)Cl 34a_100012355668_100000210202 [0,2,0,0,0,0|2,0,0]=4 15189 B12R1.374 CCOCc1cc(ccc1Br)Cl 34a_100121572206_100000733903 [0,2,0,0,0,0|2,0,0]=4 15190 B12R1.374 CCOCc1cc(ccc1Br)Cl 7a_100012355668_100000210202 [0,2,0,0,0,0|2,0,0]=4 15191 B12R1.374 CCOCc1cc(ccc1Br)F 34a_100011217561_100000210202 [0,2,0,0,0,0|2,0,0]=4 15192 B12R1.374 CCOCc1cc(ccc1Br)F 34a_100121572206_100000736370 [0,2,0,0,0,0|2,0,0]=4 15193 B12R1.374 CCOCc1cc(ccc1Br)F 7a_100011217561_100000210202 [0,2,0,0,0,0|2,0,0]=4 15194 B12R1.374 CCOCc1cc(ccc1Br)I 34a_100121572206_100012355412 [0,2,0,0,0,0|2,0,0]=4 15195 B12R1.374 CCOCc1cc(ccc1Br)I 7a_100012359683_100000210202 [0,2,0,0,0,0|2,0,0]=4 15196 B12R1.374 CCOCc1cc(ccc1Br)N 34a_100012347228_100000210202 [0,2,0,0,0,0|2,0,0]=4 15197 B12R1.374 CCOCc1cc(ccc1C)Br 34a_100000700630_100000210202 [0,2,0,0,0,0|2,0,0]=4 15198 B12R1.374 CCOCc1cc(ccc1C)Br 7a_100000700630_100000210202 [0,2,0,0,0,0|2,0,0]=4 15199 B12R1.374 CCOCc1cc(ccc1C)C 34a_100121572206_100000184699 [0,2,0,0,0,0|2,0,0]=4 15200 B12R1.374 CCOCc1cc(ccc1C)C 34a_200011215349_100000210202 [0,2,0,0,0,0|2,0,0]=4 15201 B12R1.374 CCOCc1cc(ccc1C)C 7a_200011215349_100000210202 [0,2,0,0,0,0|2,0,0]=4 15202 B12R1.374 CCOCc1cc(ccc1C)Cl 34a_100012002407_100000210202 [0,2,0,0,0,0|2,0,0]=4 15203 B12R1.374 CCOCc1cc(ccc1C)Cl 34a_100121572206_100012186985 [0,2,0,0,0,0|2,0,0]=4 15204 B12R1.374 CCOCc1cc(ccc1C)Cl 7a_100012002407_100000210202 [0,2,0,0,0,0|2,0,0]=4 15205 B12R1.374 CCOCc1cc(ccc1C)F 34a_100011219218_100000210202 [0,2,0,0,0,0|2,0,0]=4 15206 B12R1.374 CCOCc1cc(ccc1C)F 34a_100121572206_100000709795 [0,2,0,0,0,0|2,0,0]=4 15207 B12R1.374 CCOCc1cc(ccc1C)F 7a_100011219218_100000210202 [0,2,0,0,0,0|2,0,0]=4 15208 B12R1.374 CCOCc1cc(ccc1C)I 34a_100010150140_100000210202 [0,2,0,0,0,0|2,0,0]=4 15209 B12R1.374 CCOCc1cc(ccc1C)I 7a_100010150140_100000210202 [0,2,0,0,0,0|2,0,0]=4 15210 B12R1.374 CCOCc1cc(ccc1Cl)Br 34a_100011215897_100000210202 [0,2,0,0,0,0|2,0,0]=4 15211 B12R1.374 CCOCc1cc(ccc1Cl)Br 34a_100121572206_100000763347 [0,2,0,0,0,0|2,0,0]=4 15212 B12R1.374 CCOCc1cc(ccc1Cl)Br 7a_100011215897_100000210202 [0,2,0,0,0,0|2,0,0]=4 15213 B12R1.374 CCOCc1cc(ccc1Cl)C 34a_100009878994_100000210202 [0,2,0,0,0,0|2,0,0]=4 15214 B12R1.374 CCOCc1cc(ccc1Cl)C 34a_100121572206_100009871730 [0,2,0,0,0,0|2,0,0]=4 15215 B12R1.374 CCOCc1cc(ccc1Cl)C 7a_100009878994_100000210202 [0,2,0,0,0,0|2,0,0]=4 15216 B12R1.374 CCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000210202 [0,2,0,0,0,0|2,0,0]=4 15217 B12R1.374 CCOCc1cc(ccc1Cl)Cl 34a_100121572206_100000756322 [0,2,0,0,0,0|2,0,0]=4 15218 B12R1.374 CCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000210202 [0,2,0,0,0,0|2,0,0]=4 15219 B12R1.374 CCOCc1cc(ccc1Cl)F 34a_100011218361_100000210202 [0,2,0,0,0,0|2,0,0]=4 15220 B12R1.374 CCOCc1cc(ccc1Cl)F 34a_100121572206_100000709952 [0,2,0,0,0,0|2,0,0]=4 15221 B12R1.374 CCOCc1cc(ccc1Cl)F 7a_100011218361_100000210202 [0,2,0,0,0,0|2,0,0]=4 15222 B12R1.374 CCOCc1cc(ccc1Cl)I 34a_100010128486_100000210202 [0,2,0,0,0,0|2,0,0]=4 15223 B12R1.374 CCOCc1cc(ccc1Cl)I 34a_100121572206_100010188191 [0,2,0,0,0,0|2,0,0]=4 15224 B12R1.374 CCOCc1cc(ccc1Cl)I 7a_100010128486_100000210202 [0,2,0,0,0,0|2,0,0]=4 15225 B12R1.374 CCOCc1cc(ccc1Cl)N 34a_100011273577_100000210202 [0,2,0,0,0,0|2,0,0]=4 15226 B12R1.374 CCOCc1cc(ccc1F)Br 34a_100000246282_100000210202 [0,2,0,0,0,0|2,0,0]=4 15227 B12R1.374 CCOCc1cc(ccc1F)Br 34a_100121572206_100000736399 [0,2,0,0,0,0|2,0,0]=4 15228 B12R1.374 CCOCc1cc(ccc1F)Br 7a_100000246282_100000210202 [0,2,0,0,0,0|2,0,0]=4 15229 B12R1.374 CCOCc1cc(ccc1F)C 34a_100011692775_100000210202 [0,2,0,0,0,0|2,0,0]=4 15230 B12R1.374 CCOCc1cc(ccc1F)C 34a_100121572206_100011260760 [0,2,0,0,0,0|2,0,0]=4 15231 B12R1.374 CCOCc1cc(ccc1F)C 7a_100011692775_100000210202 [0,2,0,0,0,0|2,0,0]=4 15232 B12R1.374 CCOCc1cc(ccc1F)Cl 34a_100011217248_100000210202 [0,2,0,0,0,0|2,0,0]=4 15233 B12R1.374 CCOCc1cc(ccc1F)Cl 34a_100121572206_100000716957 [0,2,0,0,0,0|2,0,0]=4 15234 B12R1.374 CCOCc1cc(ccc1F)Cl 7a_100011217248_100000210202 [0,2,0,0,0,0|2,0,0]=4 15235 B12R1.374 CCOCc1cc(ccc1F)F 34a_100011217725_100000210202 [0,2,0,0,0,0|2,0,0]=4 15236 B12R1.374 CCOCc1cc(ccc1F)F 34a_100121572206_100000741279 [0,2,0,0,0,0|2,0,0]=4 15237 B12R1.374 CCOCc1cc(ccc1F)F 7a_100011217725_100000210202 [0,2,0,0,0,0|2,0,0]=4 15238 B12R1.374 CCOCc1cc(ccc1F)I 34a_100000049604_100000210202 [0,2,0,0,0,0|2,0,0]=4 15239 B12R1.374 CCOCc1cc(ccc1F)I 34a_100121572206_200010149601 [0,2,0,0,0,0|2,0,0]=4 15240 B12R1.374 CCOCc1cc(ccc1F)I 7a_100000049604_100000210202 [0,2,0,0,0,0|2,0,0]=4 15241 B12R1.374 CCOCc1cc(ccc1F)N 34a_100011218011_100000210202 [0,2,0,0,0,0|2,0,0]=4 15242 B12R1.374 CCOCc1cc(ccc1I)Br 34a_100011356890_100000210202 [0,2,0,0,0,0|2,0,0]=4 15243 B12R1.374 CCOCc1cc(ccc1I)Br 34a_100121572206_100012362523 [0,2,0,0,0,0|2,0,0]=4 15244 B12R1.374 CCOCc1cc(ccc1I)Br 7a_100011356890_100000210202 [0,2,0,0,0,0|2,0,0]=4 15245 B12R1.374 CCOCc1cc(ccc1I)Cl 34a_100121572206_100012348826 [0,2,0,0,0,0|2,0,0]=4 15246 B12R1.374 CCOCc1cc(ccc1I)F 34a_100010255287_100000210202 [0,2,0,0,0,0|2,0,0]=4 15247 B12R1.374 CCOCc1cc(ccc1I)F 34a_100121572206_100010149606 [0,2,0,0,0,0|2,0,0]=4 15248 B12R1.374 CCOCc1cc(ccc1I)F 7a_100010255287_100000210202 [0,2,0,0,0,0|2,0,0]=4 15249 B12R1.374 CCOCc1cc(ccc1N)Br 34a_100012353972_100000210202 [0,2,0,0,0,0|2,0,0]=4 15250 B12R1.374 CCOCc1cc(ccc1N)Br 7a_100012353972_100000210202 [0,2,0,0,0,0|2,0,0]=4 15251 B12R1.374 CCOCc1cc(ccc1N)C 34a_100011215565_100000210202 [0,2,0,0,0,0|2,0,0]=4 15252 B12R1.374 CCOCc1cc(ccc1N)C 7a_100011215565_100000210202 [0,2,0,0,0,0|2,0,0]=4 15253 B12R1.374 CCOCc1cc(ccc1N)Cl 34a_100011214999_100000210202 [0,2,0,0,0,0|2,0,0]=4 15254 B12R1.374 CCOCc1cc(ccc1N)Cl 7a_100011214999_100000210202 [0,2,0,0,0,0|2,0,0]=4 15255 B12R1.374 CCOCc1cc(ccc1N)F 34a_100011296978_100000210202 [0,2,0,0,0,0|2,0,0]=4 15256 B12R1.374 CCOCc1cc(ccc1N)F 7a_100011296978_100000210202 [0,2,0,0,0,0|2,0,0]=4 15257 B12R1.374 CCOCc1cc(ccc1O)F 34a_100121572206_100010161318 [0,2,0,0,0,0|2,0,0]=4 15258 B12R1.374 CCSCc1cc(ccc1Br)Br 62a_100000210202_100011982794 [0,2,0,0,0,0|2,0,0]=4 15259 B12R1.374 CCSCc1cc(ccc1Br)Br 62a_100011982794_100000210202 [0,2,0,0,0,0|2,0,0]=4 15260 B12R1.374 CCSCc1cc(ccc1Br)Cl 62a_100000210202_100000733903 [0,2,0,0,0,0|2,0,0]=4 15261 B12R1.374 CCSCc1cc(ccc1Br)Cl 62a_100000733903_100000210202 [0,2,0,0,0,0|2,0,0]=4 15262 B12R1.374 CCSCc1cc(ccc1Br)F 62a_100000210202_100000736370 [0,2,0,0,0,0|2,0,0]=4 15263 B12R1.374 CCSCc1cc(ccc1Br)F 62a_100000736370_100000210202 [0,2,0,0,0,0|2,0,0]=4 15264 B12R1.374 CCSCc1cc(ccc1Br)I 62a_100000210202_100012355412 [0,2,0,0,0,0|2,0,0]=4 15265 B12R1.374 CCSCc1cc(ccc1Br)I 62a_100012355412_100000210202 [0,2,0,0,0,0|2,0,0]=4 15266 B12R1.374 CCSCc1cc(ccc1C)C 62a_100000184699_100000210202 [0,2,0,0,0,0|2,0,0]=4 15267 B12R1.374 CCSCc1cc(ccc1C)C 62a_100000210202_100000184699 [0,2,0,0,0,0|2,0,0]=4 15268 B12R1.374 CCSCc1cc(ccc1C)Cl 62a_100000210202_100012186985 [0,2,0,0,0,0|2,0,0]=4 15269 B12R1.374 CCSCc1cc(ccc1C)Cl 62a_100012186985_100000210202 [0,2,0,0,0,0|2,0,0]=4 15270 B12R1.374 CCSCc1cc(ccc1C)F 62a_100000210202_100000709795 [0,2,0,0,0,0|2,0,0]=4 15271 B12R1.374 CCSCc1cc(ccc1C)F 62a_100000709795_100000210202 [0,2,0,0,0,0|2,0,0]=4 15272 B12R1.374 CCSCc1cc(ccc1Cl)Br 62a_100000210202_100000763347 [0,2,0,0,0,0|2,0,0]=4 15273 B12R1.374 CCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210202 [0,2,0,0,0,0|2,0,0]=4 15274 B12R1.374 CCSCc1cc(ccc1Cl)C 62a_100000210202_100009871730 [0,2,0,0,0,0|2,0,0]=4 15275 B12R1.374 CCSCc1cc(ccc1Cl)C 62a_100009871730_100000210202 [0,2,0,0,0,0|2,0,0]=4 15276 B12R1.374 CCSCc1cc(ccc1Cl)Cl 62a_100000210202_100000756322 [0,2,0,0,0,0|2,0,0]=4 15277 B12R1.374 CCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210202 [0,2,0,0,0,0|2,0,0]=4 15278 B12R1.374 CCSCc1cc(ccc1Cl)F 62a_100000210202_100000709952 [0,2,0,0,0,0|2,0,0]=4 15279 B12R1.374 CCSCc1cc(ccc1Cl)F 62a_100000709952_100000210202 [0,2,0,0,0,0|2,0,0]=4 15280 B12R1.374 CCSCc1cc(ccc1Cl)I 62a_100000210202_100010188191 [0,2,0,0,0,0|2,0,0]=4 15281 B12R1.374 CCSCc1cc(ccc1Cl)I 62a_100010188191_100000210202 [0,2,0,0,0,0|2,0,0]=4 15282 B12R1.374 CCSCc1cc(ccc1F)Br 62a_100000210202_100000736399 [0,2,0,0,0,0|2,0,0]=4 15283 B12R1.374 CCSCc1cc(ccc1F)Br 62a_100000736399_100000210202 [0,2,0,0,0,0|2,0,0]=4 15284 B12R1.374 CCSCc1cc(ccc1F)C 62a_100000210202_100011260760 [0,2,0,0,0,0|2,0,0]=4 15285 B12R1.374 CCSCc1cc(ccc1F)C 62a_100011260760_100000210202 [0,2,0,0,0,0|2,0,0]=4 15286 B12R1.374 CCSCc1cc(ccc1F)Cl 62a_100000210202_100000716957 [0,2,0,0,0,0|2,0,0]=4 15287 B12R1.374 CCSCc1cc(ccc1F)Cl 62a_100000716957_100000210202 [0,2,0,0,0,0|2,0,0]=4 15288 B12R1.374 CCSCc1cc(ccc1F)F 62a_100000210202_100000685659 [0,2,0,0,0,0|2,0,0]=4 15289 B12R1.374 CCSCc1cc(ccc1F)F 62a_100000685659_100000210202 [0,2,0,0,0,0|2,0,0]=4 15290 B12R1.374 CCSCc1cc(ccc1F)I 62a_100000210202_200010149601 [0,2,0,0,0,0|2,0,0]=4 15291 B12R1.374 CCSCc1cc(ccc1F)I 62a_200010149601_100000210202 [0,2,0,0,0,0|2,0,0]=4 15292 B12R1.374 CCSCc1cc(ccc1I)Br 62a_100000210202_100012362523 [0,2,0,0,0,0|2,0,0]=4 15293 B12R1.374 CCSCc1cc(ccc1I)Br 62a_100012362523_100000210202 [0,2,0,0,0,0|2,0,0]=4 15294 B12R1.374 CCSCc1cc(ccc1I)Cl 62a_100000210202_100012348826 [0,2,0,0,0,0|2,0,0]=4 15295 B12R1.374 CCSCc1cc(ccc1I)Cl 62a_100012348826_100000210202 [0,2,0,0,0,0|2,0,0]=4 15296 B12R1.374 CCSCc1cc(ccc1I)F 62a_100000210202_100010149606 [0,2,0,0,0,0|2,0,0]=4 15297 B12R1.374 CCSCc1cc(ccc1I)F 62a_100010149606_100000210202 [0,2,0,0,0,0|2,0,0]=4 15298 B12R1.374 CCSCc1cc(ccc1O)F 62a_100000210202_100010161318 [0,2,0,0,0,0|2,0,0]=4 15299 B12R1.374 CCSCc1cc(ccc1O)F 62a_100010161318_100000210202 [0,2,0,0,0,0|2,0,0]=4 15300 B12R1.374 CNCCc1cc(ccc1C)C 2230a_200011485678_200000210301 [0,2,0,0,0,0|2,0,0]=4 15301 B12R1.374 CNCCc1cc(ccc1C)C 34a_200011485678_200000210301 [0,2,0,0,0,0|2,0,0]=4 15302 B12R1.374 CNCCc1cc(ccc1Cl)Cl 2230a_100000705354_200000210301 [0,2,0,0,0,0|2,0,0]=4 15303 B12R1.374 CNCCc1cc(ccc1Cl)Cl 34a_100000705354_200000210301 [0,2,0,0,0,0|2,0,0]=4 15304 B12R1.374 CNCCc1cc(ccc1F)Cl 2230a_200011997525_200000210301 [0,2,0,0,0,0|2,0,0]=4 15305 B12R1.374 CNCCc1cc(ccc1F)Cl 34a_200011997525_200000210301 [0,2,0,0,0,0|2,0,0]=4 15306 B12R1.374 CNCCc1cc(ccc1F)F 2230a_106832991635_100011755056 [0,2,0,0,0,0|2,0,0]=4 15307 B12R1.374 CNCCc1cc(ccc1F)F 34a_100102657272_100011755056 [0,2,0,0,0,0|2,0,0]=4 15308 B12R1.374 CNCCc1cc(ccc1F)F 7a_106832991635_100011755056 [0,2,0,0,0,0|2,0,0]=4 15309 B12R1.374 COCCc1cc(ccc1Br)Cl 34a_100012426913_200000210301 [0,2,0,0,0,0|2,0,0]=4 15310 B12R1.374 COCCc1cc(ccc1Br)Cl 7a_100012426913_200000210301 [0,2,0,0,0,0|2,0,0]=4 15311 B12R1.374 COCCc1cc(ccc1C)C 34a_100011694955_200000210301 [0,2,0,0,0,0|2,0,0]=4 15312 B12R1.374 COCCc1cc(ccc1C)C 7a_100011694955_200000210301 [0,2,0,0,0,0|2,0,0]=4 15313 B12R1.374 COCCc1cc(ccc1Cl)Cl 34a_100011754359_200000210301 [0,2,0,0,0,0|2,0,0]=4 15314 B12R1.374 COCCc1cc(ccc1Cl)Cl 7a_100011754359_200000210301 [0,2,0,0,0,0|2,0,0]=4 15315 B12R1.374 COCCc1cc(ccc1F)F 34a_100011755048_200000210301 [0,2,0,0,0,0|2,0,0]=4 15316 B12R1.374 COCCc1cc(ccc1F)F 34a_100138415774_100011755056 [0,2,0,0,0,0|2,0,0]=4 15317 B12R1.374 COCCc1cc(ccc1F)F 7a_100011755048_200000210301 [0,2,0,0,0,0|2,0,0]=4 15318 B12R1.374 CSCCc1cc(ccc1F)F 62a_100011755056_200000210301 [0,2,0,0,0,0|2,0,0]=4 15319 B12R1.374 CSCCc1cc(ccc1F)F 62a_200000210301_100011755056 [0,2,0,0,0,0|2,0,0]=4 15320 B12R1.374 Cc1cc(c(cn1)Br)OCCO 34a_100011016184_100000211926 [0,2,0,0,0,0|2,0,0]=4 15321 B12R1.374 Cc1cc(c(cn1)C)SCCO 62a_100000211926_100009862788 [0,2,0,0,0,0|2,0,0]=4 15322 B12R1.374 Cc1cc(c(cn1)C)SCCO 62a_100009862788_100000211926 [0,2,0,0,0,0|2,0,0]=4 15323 B12R1.374 Cc1cc(c(cn1)F)NCCO 27a_100000210304_100009867690 [0,2,0,0,0,0|2,0,0]=4 15324 B12R1.374 Cc1cc(c(cn1)F)SCCO 62a_100000211926_100009867690 [0,2,0,0,0,0|2,0,0]=4 15325 B12R1.374 Cc1cc(c(cn1)F)SCCO 62a_100009867690_100000211926 [0,2,0,0,0,0|2,0,0]=4 15326 B12R1.374 Cc1cc(c(cn1)O)SCCO 62a_100000211926_100009843476 [0,2,0,0,0,0|2,0,0]=4 15327 B12R1.374 Cc1cc(c(cn1)O)SCCO 62a_100009843476_100000211926 [0,2,0,0,0,0|2,0,0]=4 15328 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 2230a_200011485678_200025704644 [0,2,0,0,0,0|2,0,0]=4 15329 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 34a_200011485678_200025704644 [0,2,0,0,0,0|2,0,0]=4 15330 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 34a_100011694955_200025704644 [0,2,0,0,0,0|2,0,0]=4 15331 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 7a_100011694955_200025704644 [0,2,0,0,0,0|2,0,0]=4 15332 B12R1.374 Cc1ccc(c(c1)CNCF)C 34a_100000174964_100015361967 [0,2,0,0,0,0|2,0,0]=4 15333 B12R1.374 Cc1ccc(c(c1)CNCF)Cl 34a_100025705715_100015361967 [0,2,0,0,0,0|2,0,0]=4 15334 B12R1.374 Cc1ccc(c(c1)CNCF)F 34a_100102693586_100015361967 [0,2,0,0,0,0|2,0,0]=4 15335 B12R1.374 Cc1ccc(c(c1)COCF)Br 34a_100012361352_100015361967 [0,2,0,0,0,0|2,0,0]=4 15336 B12R1.374 Cc1ccc(c(c1)COCF)Br 7a_100012361352_100015361967 [0,2,0,0,0,0|2,0,0]=4 15337 B12R1.374 Cc1ccc(c(c1)COCF)C 34a_200011215349_100015361967 [0,2,0,0,0,0|2,0,0]=4 15338 B12R1.374 Cc1ccc(c(c1)COCF)C 7a_200011215349_100015361967 [0,2,0,0,0,0|2,0,0]=4 15339 B12R1.374 Cc1ccc(c(c1)COCF)Cl 34a_100009878994_100015361967 [0,2,0,0,0,0|2,0,0]=4 15340 B12R1.374 Cc1ccc(c(c1)COCF)Cl 7a_100009878994_100015361967 [0,2,0,0,0,0|2,0,0]=4 15341 B12R1.374 Cc1ccc(c(c1)COCF)F 34a_100011692775_100015361967 [0,2,0,0,0,0|2,0,0]=4 15342 B12R1.374 Cc1ccc(c(c1)COCF)F 7a_100011692775_100015361967 [0,2,0,0,0,0|2,0,0]=4 15343 B12R1.374 Cc1ccc(c(c1)COCF)N 34a_100011215565_100015361967 [0,2,0,0,0,0|2,0,0]=4 15344 B12R1.374 Cc1ccc(c(c1)COCF)N 7a_100011215565_100015361967 [0,2,0,0,0,0|2,0,0]=4 15345 B12R1.374 Cc1ccc(c(c1)CSCF)C 62a_100000184699_100015361967 [0,2,0,0,0,0|2,0,0]=4 15346 B12R1.374 Cc1ccc(c(c1)CSCF)C 62a_100015361967_100000184699 [0,2,0,0,0,0|2,0,0]=4 15347 B12R1.374 Cc1ccc(c(c1)CSCF)Cl 62a_100009871730_100015361967 [0,2,0,0,0,0|2,0,0]=4 15348 B12R1.374 Cc1ccc(c(c1)CSCF)Cl 62a_100015361967_100009871730 [0,2,0,0,0,0|2,0,0]=4 15349 B12R1.374 Cc1ccc(c(c1)CSCF)F 62a_100011260760_100015361967 [0,2,0,0,0,0|2,0,0]=4 15350 B12R1.374 Cc1ccc(c(c1)CSCF)F 62a_100015361967_100011260760 [0,2,0,0,0,0|2,0,0]=4 15351 B12R1.374 Cc1ccc(c(c1)NCCF)Br 34a_100000745044_100011217306 [0,2,0,0,0,0|2,0,0]=4 15352 B12R1.374 Cc1ccc(c(c1)NCCF)C 2230a_100000185781_100011217306 [0,2,0,0,0,0|2,0,0]=4 15353 B12R1.374 Cc1ccc(c(c1)NCCF)C 34a_100000185781_100011217306 [0,2,0,0,0,0|2,0,0]=4 15354 B12R1.374 Cc1ccc(c(c1)NCCF)C 7a_100000185781_100011217306 [0,2,0,0,0,0|2,0,0]=4 15355 B12R1.374 Cc1ccc(c(c1)NCCF)Cl 34a_100011215360_100011217306 [0,2,0,0,0,0|2,0,0]=4 15356 B12R1.374 Cc1ccc(c(c1)NCCF)F 34a_100000211285_100011217306 [0,2,0,0,0,0|2,0,0]=4 15357 B12R1.374 Cc1ccc(c(c1)NCCF)I 34a_100011216686_100011217306 [0,2,0,0,0,0|2,0,0]=4 15358 B12R1.374 Cc1ccc(c(c1)NCCF)O 34a_100011215204_100011217306 [0,2,0,0,0,0|2,0,0]=4 15359 B12R1.374 Cc1ccc(c(c1)NCCO)Br 34a_100000745044_100000211926 [0,2,0,0,0,0|1,0,0]=3 15360 B12R1.374 Cc1ccc(c(c1)NCCO)C 2230a_100000185781_100000211926 [0,2,0,0,0,0|1,0,0]=3 15361 B12R1.374 Cc1ccc(c(c1)NCCO)C 34a_100000185781_100000211926 [0,2,0,0,0,0|1,0,0]=3 15362 B12R1.374 Cc1ccc(c(c1)NCCO)C 7a_100000185781_100000211926 [0,2,0,0,0,0|1,0,0]=3 15363 B12R1.374 Cc1ccc(c(c1)NCCO)Cl 34a_100011215360_100000211926 [0,2,0,0,0,0|1,0,0]=3 15364 B12R1.374 Cc1ccc(c(c1)NCCO)F 34a_100000211285_100000211926 [0,2,0,0,0,0|1,0,0]=3 15365 B12R1.374 Cc1ccc(c(c1)NCCO)I 34a_100011216686_100000211926 [0,2,0,0,0,0|1,0,0]=3 15366 B12R1.374 Cc1ccc(c(c1)NCCO)O 34a_100011215204_100000211926 [0,2,0,0,0,0|1,0,0]=3 15367 B12R1.374 Cc1ccc(c(c1)OCCF)Br 34a_100012002257_100011217306 [0,2,0,0,0,0|2,0,0]=4 15368 B12R1.374 Cc1ccc(c(c1)OCCF)Br 7a_100012002257_100011217306 [0,2,0,0,0,0|2,0,0]=4 15369 B12R1.374 Cc1ccc(c(c1)OCCF)C 34a_100000210931_100011217306 [0,2,0,0,0,0|2,0,0]=4 15370 B12R1.374 Cc1ccc(c(c1)OCCF)C 7a_100000210931_100011217306 [0,2,0,0,0,0|2,0,0]=4 15371 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 34a_100000211493_100011217306 [0,2,0,0,0,0|2,0,0]=4 15372 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 7a_100000211493_100011217306 [0,2,0,0,0,0|2,0,0]=4 15373 B12R1.374 Cc1ccc(c(c1)OCCF)F 34a_100000759540_100011217306 [0,2,0,0,0,0|2,0,0]=4 15374 B12R1.374 Cc1ccc(c(c1)OCCF)F 7a_100000759540_100011217306 [0,2,0,0,0,0|2,0,0]=4 15375 B12R1.374 Cc1ccc(c(c1)OCCF)N 34a_100000211527_100011217306 [0,2,0,0,0,0|2,0,0]=4 15376 B12R1.374 Cc1ccc(c(c1)OCCF)N 7a_100000211527_100011217306 [0,2,0,0,0,0|2,0,0]=4 15377 B12R1.374 Cc1ccc(c(c1)OCCO)Br 34a_100012002257_100000211926 [0,2,0,0,0,0|1,0,0]=3 15378 B12R1.374 Cc1ccc(c(c1)OCCO)Br 7a_100012002257_100000211926 [0,2,0,0,0,0|1,0,0]=3 15379 B12R1.374 Cc1ccc(c(c1)OCCO)C 34a_100000210931_100000211926 [0,2,0,0,0,0|1,0,0]=3 15380 B12R1.374 Cc1ccc(c(c1)OCCO)C 7a_100000210931_100000211926 [0,2,0,0,0,0|1,0,0]=3 15381 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 34a_100000211493_100000211926 [0,2,0,0,0,0|1,0,0]=3 15382 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 7a_100000211493_100000211926 [0,2,0,0,0,0|1,0,0]=3 15383 B12R1.374 Cc1ccc(c(c1)OCCO)F 34a_100000759540_100000211926 [0,2,0,0,0,0|1,0,0]=3 15384 B12R1.374 Cc1ccc(c(c1)OCCO)F 7a_100000759540_100000211926 [0,2,0,0,0,0|1,0,0]=3 15385 B12R1.374 Cc1ccc(c(c1)OCCO)N 34a_100000211527_100000211926 [0,2,0,0,0,0|1,0,0]=3 15386 B12R1.374 Cc1ccc(c(c1)OCCO)N 7a_100000211527_100000211926 [0,2,0,0,0,0|1,0,0]=3 15387 B12R1.374 Cc1ccc(c(c1)SCCF)Br 62a_100011217306_100012353751 [0,2,0,0,0,0|2,0,0]=4 15388 B12R1.374 Cc1ccc(c(c1)SCCF)Br 62a_100012353751_100011217306 [0,2,0,0,0,0|2,0,0]=4 15389 B12R1.374 Cc1ccc(c(c1)SCCF)C 62a_100000210833_100011217306 [0,2,0,0,0,0|2,0,0]=4 15390 B12R1.374 Cc1ccc(c(c1)SCCF)C 62a_100011217306_100000210833 [0,2,0,0,0,0|2,0,0]=4 15391 B12R1.374 Cc1ccc(c(c1)SCCF)Cl 62a_100011217306_100012356289 [0,2,0,0,0,0|2,0,0]=4 15392 B12R1.374 Cc1ccc(c(c1)SCCF)Cl 62a_100012356289_100011217306 [0,2,0,0,0,0|2,0,0]=4 15393 B12R1.374 Cc1ccc(c(c1)SCCF)F 62a_100000736223_100011217306 [0,2,0,0,0,0|2,0,0]=4 15394 B12R1.374 Cc1ccc(c(c1)SCCF)F 62a_100011217306_100000736223 [0,2,0,0,0,0|2,0,0]=4 15395 B12R1.374 Cc1ccc(c(c1)SCCF)N 62a_100011217306_100011356834 [0,2,0,0,0,0|2,0,0]=4 15396 B12R1.374 Cc1ccc(c(c1)SCCF)N 62a_100011356834_100011217306 [0,2,0,0,0,0|2,0,0]=4 15397 B12R1.374 Cc1ccc(c(c1)SCCF)O 62a_100000765521_100011217306 [0,2,0,0,0,0|2,0,0]=4 15398 B12R1.374 Cc1ccc(c(c1)SCCF)O 62a_100011217306_100000765521 [0,2,0,0,0,0|2,0,0]=4 15399 B12R1.374 Cc1ccc(c(c1)SCCO)Br 62a_100000211926_100012353751 [0,2,0,0,0,0|1,0,0]=3 15400 B12R1.374 Cc1ccc(c(c1)SCCO)Br 62a_100012353751_100000211926 [0,2,0,0,0,0|1,0,0]=3 15401 B12R1.374 Cc1ccc(c(c1)SCCO)C 62a_100000210833_100000211926 [0,2,0,0,0,0|1,0,0]=3 15402 B12R1.374 Cc1ccc(c(c1)SCCO)C 62a_100000211926_100000210833 [0,2,0,0,0,0|1,0,0]=3 15403 B12R1.374 Cc1ccc(c(c1)SCCO)Cl 62a_100000211926_100012356289 [0,2,0,0,0,0|1,0,0]=3 15404 B12R1.374 Cc1ccc(c(c1)SCCO)Cl 62a_100012356289_100000211926 [0,2,0,0,0,0|1,0,0]=3 15405 B12R1.374 Cc1ccc(c(c1)SCCO)F 62a_100000211926_100000736223 [0,2,0,0,0,0|1,0,0]=3 15406 B12R1.374 Cc1ccc(c(c1)SCCO)F 62a_100000736223_100000211926 [0,2,0,0,0,0|1,0,0]=3 15407 B12R1.374 Cc1ccc(c(c1)SCCO)N 62a_100000211926_100011356834 [0,2,0,0,0,0|1,0,0]=3 15408 B12R1.374 Cc1ccc(c(c1)SCCO)N 62a_100011356834_100000211926 [0,2,0,0,0,0|1,0,0]=3 15409 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000765521 [0,2,0,0,0,0|1,0,0]=3 15410 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000765521_100000211926 [0,2,0,0,0,0|1,0,0]=3 15411 B12R1.374 Cc1ccc(c(n1)OCCO)Br 34a_100009817604_100000211926 [0,2,0,0,0,0|2,0,0]=4 15412 B12R1.374 Cc1ccc(c(n1)OCCO)N 34a_100000687486_100000211926 [0,2,0,0,0,0|2,0,0]=4 15413 B12R1.374 Cc1ccc(c(n1)SCCO)C 62a_100000211926_100009854376 [0,2,0,0,0,0|2,0,0]=4 15414 B12R1.374 Cc1ccc(c(n1)SCCO)C 62a_100009854376_100000211926 [0,2,0,0,0,0|2,0,0]=4 15415 B12R1.374 Cc1ccc(c(n1)SCCO)F 62a_100000211926_100009817602 [0,2,0,0,0,0|2,0,0]=4 15416 B12R1.374 Cc1ccc(c(n1)SCCO)F 62a_100009817602_100000211926 [0,2,0,0,0,0|2,0,0]=4 15417 B12R1.374 Cc1ccc(c(n1)SCCO)N 62a_100000211926_100000685570 [0,2,0,0,0,0|2,0,0]=4 15418 B12R1.374 Cc1ccc(c(n1)SCCO)N 62a_100000685570_100000211926 [0,2,0,0,0,0|2,0,0]=4 15419 B12R1.374 Cc1ccc(c(n1)SCCO)O 62a_100000211926_100000702858 [0,2,0,0,0,0|2,0,0]=4 15420 B12R1.374 Cc1ccc(c(n1)SCCO)O 62a_100000702858_100000211926 [0,2,0,0,0,0|2,0,0]=4 15421 B12R1.374 Cc1ccc(cc1CNCF)Cl 34a_100000717755_100015361967 [0,2,0,0,0,0|2,0,0]=4 15422 B12R1.374 Cc1ccc(cc1CNCF)F 34a_100011217291_100015361967 [0,2,0,0,0,0|2,0,0]=4 15423 B12R1.374 Cc1ccc(cc1CNCF)O 34a_200009844824_100015361967 [0,2,0,0,0,0|2,0,0]=4 15424 B12R1.374 Cc1ccc(cc1COCF)Br 34a_100000700630_100015361967 [0,2,0,0,0,0|2,0,0]=4 15425 B12R1.374 Cc1ccc(cc1COCF)Br 7a_100000700630_100015361967 [0,2,0,0,0,0|2,0,0]=4 15426 B12R1.374 Cc1ccc(cc1COCF)Cl 34a_100012002407_100015361967 [0,2,0,0,0,0|2,0,0]=4 15427 B12R1.374 Cc1ccc(cc1COCF)Cl 7a_100012002407_100015361967 [0,2,0,0,0,0|2,0,0]=4 15428 B12R1.374 Cc1ccc(cc1COCF)F 34a_100011219218_100015361967 [0,2,0,0,0,0|2,0,0]=4 15429 B12R1.374 Cc1ccc(cc1COCF)F 7a_100011219218_100015361967 [0,2,0,0,0,0|2,0,0]=4 15430 B12R1.374 Cc1ccc(cc1COCF)I 34a_100010150140_100015361967 [0,2,0,0,0,0|2,0,0]=4 15431 B12R1.374 Cc1ccc(cc1COCF)I 7a_100010150140_100015361967 [0,2,0,0,0,0|2,0,0]=4 15432 B12R1.374 Cc1ccc(cc1CSCF)Cl 62a_100012186985_100015361967 [0,2,0,0,0,0|2,0,0]=4 15433 B12R1.374 Cc1ccc(cc1CSCF)Cl 62a_100015361967_100012186985 [0,2,0,0,0,0|2,0,0]=4 15434 B12R1.374 Cc1ccc(cc1CSCF)F 62a_100000709795_100015361967 [0,2,0,0,0,0|2,0,0]=4 15435 B12R1.374 Cc1ccc(cc1CSCF)F 62a_100015361967_100000709795 [0,2,0,0,0,0|2,0,0]=4 15436 B12R1.374 Cc1ccc(cc1NCCF)Br 34a_100000741167_100011217306 [0,2,0,0,0,0|2,0,0]=4 15437 B12R1.374 Cc1ccc(cc1NCCF)Br 7a_100000741167_100011217306 [0,2,0,0,0,0|2,0,0]=4 15438 B12R1.374 Cc1ccc(cc1NCCF)Cl 34a_100000211374_100011217306 [0,2,0,0,0,0|2,0,0]=4 15439 B12R1.374 Cc1ccc(cc1NCCF)Cl 7a_100000211374_100011217306 [0,2,0,0,0,0|2,0,0]=4 15440 B12R1.374 Cc1ccc(cc1NCCF)F 34a_100000211107_100011217306 [0,2,0,0,0,0|2,0,0]=4 15441 B12R1.374 Cc1ccc(cc1NCCF)F 7a_100000211107_100011217306 [0,2,0,0,0,0|2,0,0]=4 15442 B12R1.374 Cc1ccc(cc1NCCF)I 7a_100000761890_100011217306 [0,2,0,0,0,0|2,0,0]=4 15443 B12R1.374 Cc1ccc(cc1NCCF)O 34a_100011216113_100011217306 [0,2,0,0,0,0|2,0,0]=4 15444 B12R1.374 Cc1ccc(cc1NCCO)Br 34a_100000741167_100000211926 [0,2,0,0,0,0|1,0,0]=3 15445 B12R1.374 Cc1ccc(cc1NCCO)Br 7a_100000741167_100000211926 [0,2,0,0,0,0|1,0,0]=3 15446 B12R1.374 Cc1ccc(cc1NCCO)Cl 34a_100000211374_100000211926 [0,2,0,0,0,0|1,0,0]=3 15447 B12R1.374 Cc1ccc(cc1NCCO)Cl 7a_100000211374_100000211926 [0,2,0,0,0,0|1,0,0]=3 15448 B12R1.374 Cc1ccc(cc1NCCO)F 34a_100000211107_100000211926 [0,2,0,0,0,0|1,0,0]=3 15449 B12R1.374 Cc1ccc(cc1NCCO)F 7a_100000211107_100000211926 [0,2,0,0,0,0|1,0,0]=3 15450 B12R1.374 Cc1ccc(cc1NCCO)I 7a_100000761890_100000211926 [0,2,0,0,0,0|1,0,0]=3 15451 B12R1.374 Cc1ccc(cc1NCCO)O 34a_100011216113_100000211926 [0,2,0,0,0,0|1,0,0]=3 15452 B12R1.374 Cc1ccc(cc1OCCF)Br 34a_100000685420_100011217306 [0,2,0,0,0,0|2,0,0]=4 15453 B12R1.374 Cc1ccc(cc1OCCF)Br 7a_100000685420_100011217306 [0,2,0,0,0,0|2,0,0]=4 15454 B12R1.374 Cc1ccc(cc1OCCF)Cl 34a_100000756515_100011217306 [0,2,0,0,0,0|2,0,0]=4 15455 B12R1.374 Cc1ccc(cc1OCCF)Cl 7a_100000756515_100011217306 [0,2,0,0,0,0|2,0,0]=4 15456 B12R1.374 Cc1ccc(cc1OCCF)F 34a_100000690566_100011217306 [0,2,0,0,0,0|2,0,0]=4 15457 B12R1.374 Cc1ccc(cc1OCCF)F 7a_100000690566_100011217306 [0,2,0,0,0,0|2,0,0]=4 15458 B12R1.374 Cc1ccc(cc1OCCF)I 7a_100000766334_100011217306 [0,2,0,0,0,0|2,0,0]=4 15459 B12R1.374 Cc1ccc(cc1OCCF)N 34a_100000759471_100011217306 [0,2,0,0,0,0|2,0,0]=4 15460 B12R1.374 Cc1ccc(cc1OCCF)N 7a_100000759471_100011217306 [0,2,0,0,0,0|2,0,0]=4 15461 B12R1.374 Cc1ccc(cc1OCCO)Br 34a_100000685420_100000211926 [0,2,0,0,0,0|1,0,0]=3 15462 B12R1.374 Cc1ccc(cc1OCCO)Br 7a_100000685420_100000211926 [0,2,0,0,0,0|1,0,0]=3 15463 B12R1.374 Cc1ccc(cc1OCCO)Cl 34a_100000756515_100000211926 [0,2,0,0,0,0|1,0,0]=3 15464 B12R1.374 Cc1ccc(cc1OCCO)Cl 7a_100000756515_100000211926 [0,2,0,0,0,0|1,0,0]=3 15465 B12R1.374 Cc1ccc(cc1OCCO)F 34a_100000690566_100000211926 [0,2,0,0,0,0|1,0,0]=3 15466 B12R1.374 Cc1ccc(cc1OCCO)F 7a_100000690566_100000211926 [0,2,0,0,0,0|1,0,0]=3 15467 B12R1.374 Cc1ccc(cc1OCCO)I 7a_100000766334_100000211926 [0,2,0,0,0,0|1,0,0]=3 15468 B12R1.374 Cc1ccc(cc1OCCO)N 34a_100000759471_100000211926 [0,2,0,0,0,0|1,0,0]=3 15469 B12R1.374 Cc1ccc(cc1OCCO)N 7a_100000759471_100000211926 [0,2,0,0,0,0|1,0,0]=3 15470 B12R1.374 Cc1ccc(cc1SCCF)Br 62a_100011217306_100011344865 [0,2,0,0,0,0|2,0,0]=4 15471 B12R1.374 Cc1ccc(cc1SCCF)Br 62a_100011344865_100011217306 [0,2,0,0,0,0|2,0,0]=4 15472 B12R1.374 Cc1ccc(cc1SCCF)Cl 62a_100011217306_100011263213 [0,2,0,0,0,0|2,0,0]=4 15473 B12R1.374 Cc1ccc(cc1SCCF)Cl 62a_100011263213_100011217306 [0,2,0,0,0,0|2,0,0]=4 15474 B12R1.374 Cc1ccc(cc1SCCF)F 62a_100011217306_100011218078 [0,2,0,0,0,0|2,0,0]=4 15475 B12R1.374 Cc1ccc(cc1SCCF)F 62a_100011218078_100011217306 [0,2,0,0,0,0|2,0,0]=4 15476 B12R1.374 Cc1ccc(cc1SCCF)N 62a_100000736455_100011217306 [0,2,0,0,0,0|2,0,0]=4 15477 B12R1.374 Cc1ccc(cc1SCCF)N 62a_100011217306_100000736455 [0,2,0,0,0,0|2,0,0]=4 15478 B12R1.374 Cc1ccc(cc1SCCF)O 62a_100011217306_100011380479 [0,2,0,0,0,0|2,0,0]=4 15479 B12R1.374 Cc1ccc(cc1SCCF)O 62a_100011380479_100011217306 [0,2,0,0,0,0|2,0,0]=4 15480 B12R1.374 Cc1ccc(cc1SCCO)Br 62a_100000211926_100011344865 [0,2,0,0,0,0|1,0,0]=3 15481 B12R1.374 Cc1ccc(cc1SCCO)Br 62a_100011344865_100000211926 [0,2,0,0,0,0|1,0,0]=3 15482 B12R1.374 Cc1ccc(cc1SCCO)Cl 62a_100000211926_100011263213 [0,2,0,0,0,0|1,0,0]=3 15483 B12R1.374 Cc1ccc(cc1SCCO)Cl 62a_100011263213_100000211926 [0,2,0,0,0,0|1,0,0]=3 15484 B12R1.374 Cc1ccc(cc1SCCO)F 62a_100000211926_100011218078 [0,2,0,0,0,0|1,0,0]=3 15485 B12R1.374 Cc1ccc(cc1SCCO)F 62a_100011218078_100000211926 [0,2,0,0,0,0|1,0,0]=3 15486 B12R1.374 Cc1ccc(cc1SCCO)N 62a_100000211926_100000736455 [0,2,0,0,0,0|1,0,0]=3 15487 B12R1.374 Cc1ccc(cc1SCCO)N 62a_100000736455_100000211926 [0,2,0,0,0,0|1,0,0]=3 15488 B12R1.374 Cc1ccc(cc1SCCO)O 62a_100000211926_100011380479 [0,2,0,0,0,0|1,0,0]=3 15489 B12R1.374 Cc1ccc(cc1SCCO)O 62a_100011380479_100000211926 [0,2,0,0,0,0|1,0,0]=3 15490 B12R1.374 Cc1ccc(nc1SCCO)N 62a_100000126722_100000211926 [0,2,0,0,0,0|2,0,0]=4 15491 B12R1.374 Cc1ccc(nc1SCCO)N 62a_100000211926_100000126722 [0,2,0,0,0,0|2,0,0]=4 15492 B12R1.374 Cc1cnc(c(c1)NCCO)F 27a_100000210304_100009820679 [0,2,0,0,0,0|2,0,0]=4 15493 B12R1.374 Cc1cnc(c(c1)OCCO)Cl 34a_100012000487_100000211926 [0,2,0,0,0,0|2,0,0]=4 15494 B12R1.374 Cc1cnc(c(c1)OCCO)Cl 7a_100012000487_100000211926 [0,2,0,0,0,0|2,0,0]=4 15495 B12R1.374 Cc1cnc(c(c1)OCCO)F 34a_100009849810_100000211926 [0,2,0,0,0,0|2,0,0]=4 15496 B12R1.374 Cc1cnc(c(c1)OCCO)F 7a_100009849810_100000211926 [0,2,0,0,0,0|2,0,0]=4 15497 B12R1.374 Cc1cnc(c(c1)SCCO)C 62a_100000211926_100009817436 [0,2,0,0,0,0|2,0,0]=4 15498 B12R1.374 Cc1cnc(c(c1)SCCO)C 62a_100009817436_100000211926 [0,2,0,0,0,0|2,0,0]=4 15499 B12R1.374 Cc1cnc(c(c1)SCCO)Cl 62a_100000211926_100010210167 [0,2,0,0,0,0|2,0,0]=4 15500 B12R1.374 Cc1cnc(c(c1)SCCO)Cl 62a_100010210167_100000211926 [0,2,0,0,0,0|2,0,0]=4 15501 B12R1.374 Cc1cnc(c(c1)SCCO)F 62a_100000049784_100000211926 [0,2,0,0,0,0|2,0,0]=4 15502 B12R1.374 Cc1cnc(c(c1)SCCO)F 62a_100000211926_100000049784 [0,2,0,0,0,0|2,0,0]=4 15503 B12R1.374 Cc1cnc(c(c1)SCCO)N 62a_100000049664_100000211926 [0,2,0,0,0,0|2,0,0]=4 15504 B12R1.374 Cc1cnc(c(c1)SCCO)N 62a_100000211926_100000049664 [0,2,0,0,0,0|2,0,0]=4 15505 B12R1.374 Cc1cnc(c(c1)SCCO)O 62a_100000211926_100000719714 [0,2,0,0,0,0|2,0,0]=4 15506 B12R1.374 Cc1cnc(c(c1)SCCO)O 62a_100000719714_100000211926 [0,2,0,0,0,0|2,0,0]=4 15507 B12R1.374 Cc1cnc(cc1NCCO)F 27a_100000210304_100000049870 [0,2,0,0,0,0|2,0,0]=4 15508 B12R1.374 Cc1cnc(cc1OCCO)Br 34a_100000704368_100000211926 [0,2,0,0,0,0|2,0,0]=4 15509 B12R1.374 Cc1cnc(cc1OCCO)Br 7a_100000704368_100000211926 [0,2,0,0,0,0|2,0,0]=4 15510 B12R1.374 Cc1cnc(cc1SCCO)Br 62a_100000211926_100010067628 [0,2,0,0,0,0|2,0,0]=4 15511 B12R1.374 Cc1cnc(cc1SCCO)Br 62a_100010067628_100000211926 [0,2,0,0,0,0|2,0,0]=4 15512 B12R1.374 Cc1cnc(cc1SCCO)Cl 62a_100000211926_100010068021 [0,2,0,0,0,0|2,0,0]=4 15513 B12R1.374 Cc1cnc(cc1SCCO)Cl 62a_100010068021_100000211926 [0,2,0,0,0,0|2,0,0]=4 15514 B12R1.374 Cc1cnc(cc1SCCO)F 62a_100000049870_100000211926 [0,2,0,0,0,0|2,0,0]=4 15515 B12R1.374 Cc1cnc(cc1SCCO)F 62a_100000211926_100000049870 [0,2,0,0,0,0|2,0,0]=4 15516 B12R1.374 Cc1cnc(cc1SCCO)N 62a_100000211926_100009819938 [0,2,0,0,0,0|2,0,0]=4 15517 B12R1.374 Cc1cnc(cc1SCCO)N 62a_100009819938_100000211926 [0,2,0,0,0,0|2,0,0]=4 15518 B12R1.374 Cc1cnc(cc1SCCO)O 62a_100000211926_100009831917 [0,2,0,0,0,0|2,0,0]=4 15519 B12R1.374 Cc1cnc(cc1SCCO)O 62a_100009831917_100000211926 [0,2,0,0,0,0|2,0,0]=4 15520 B12R1.374 Cc1ncc(cc1OCCO)Br 34a_100009864810_100000211926 [0,2,0,0,0,0|2,0,0]=4 15521 B12R1.374 Cc1ncc(cc1OCCO)Br 7a_100009864810_100000211926 [0,2,0,0,0,0|2,0,0]=4 15522 B12R1.374 Cc1ncc(cc1SCCO)Br 62a_100000211926_200010090566 [0,2,0,0,0,0|2,0,0]=4 15523 B12R1.374 Cc1ncc(cc1SCCO)Br 62a_200010090566_100000211926 [0,2,0,0,0,0|2,0,0]=4 15524 B12R1.374 Cc1ncc(cc1SCCO)F 62a_100000211926_100009860710 [0,2,0,0,0,0|2,0,0]=4 15525 B12R1.374 Cc1ncc(cc1SCCO)F 62a_100009860710_100000211926 [0,2,0,0,0,0|2,0,0]=4 15526 B12R1.374 Cc1ncc(cc1SCCO)N 62a_100000211926_100011998591 [0,2,0,0,0,0|2,0,0]=4 15527 B12R1.374 Cc1ncc(cc1SCCO)N 62a_100011998591_100000211926 [0,2,0,0,0,0|2,0,0]=4 15528 B12R1.374 Cc1ncc(cc1SCCO)O 62a_100000211926_100009819603 [0,2,0,0,0,0|2,0,0]=4 15529 B12R1.374 Cc1ncc(cc1SCCO)O 62a_100009819603_100000211926 [0,2,0,0,0,0|2,0,0]=4 15530 B12R1.374 Cn1ccc(=O)c(c1)SCCO 62a_100000211926_100010750718 [0,2,0,0,0,0|2,0,0]=4 15531 B12R1.374 Cn1ccc(=O)c(c1)SCCO 62a_100010750718_100000211926 [0,2,0,0,0,0|2,0,0]=4 15532 B12R1.374 FCCNc1cc(ccc1Br)Br 34a_100000737762_100011217306 [0,2,0,0,0,0|2,0,0]=4 15533 B12R1.374 FCCNc1cc(ccc1Br)Cl 34a_100000687073_100011217306 [0,2,0,0,0,0|2,0,0]=4 15534 B12R1.374 FCCNc1cc(ccc1Br)F 34a_100000687223_100011217306 [0,2,0,0,0,0|2,0,0]=4 15535 B12R1.374 FCCNc1cc(ccc1Cl)Br 34a_100000750497_100011217306 [0,2,0,0,0,0|2,0,0]=4 15536 B12R1.374 FCCNc1cc(ccc1Cl)Cl 34a_100000184485_100011217306 [0,2,0,0,0,0|2,0,0]=4 15537 B12R1.374 FCCNc1cc(ccc1Cl)F 34a_100000751338_100011217306 [0,2,0,0,0,0|2,0,0]=4 15538 B12R1.374 FCCNc1cc(ccc1Cl)I 34a_200000761891_100011217306 [0,2,0,0,0,0|2,0,0]=4 15539 B12R1.374 FCCNc1cc(ccc1F)Br 34a_100000740924_100011217306 [0,2,0,0,0,0|2,0,0]=4 15540 B12R1.374 FCCNc1cc(ccc1F)Cl 34a_100000212115_100011217306 [0,2,0,0,0,0|2,0,0]=4 15541 B12R1.374 FCCNc1cc(ccc1F)F 34a_100000210742_100011217306 [0,2,0,0,0,0|2,0,0]=4 15542 B12R1.374 FCCNc1cc(ccc1F)I 34a_100011464823_100011217306 [0,2,0,0,0,0|2,0,0]=4 15543 B12R1.374 FCCNc1cc(ccc1I)Br 34a_100000743836_100011217306 [0,2,0,0,0,0|2,0,0]=4 15544 B12R1.374 FCCNc1cc(ccc1I)Cl 34a_100000761886_100011217306 [0,2,0,0,0,0|2,0,0]=4 15545 B12R1.374 FCCNc1cc(ccc1I)F 34a_100011218093_100011217306 [0,2,0,0,0,0|2,0,0]=4 15546 B12R1.374 FCCOc1cc(ccc1Br)Br 34a_100011220040_100011217306 [0,2,0,0,0,0|2,0,0]=4 15547 B12R1.374 FCCOc1cc(ccc1Br)Br 7a_100011220040_100011217306 [0,2,0,0,0,0|2,0,0]=4 15548 B12R1.374 FCCOc1cc(ccc1Br)Cl 34a_100012339455_100011217306 [0,2,0,0,0,0|2,0,0]=4 15549 B12R1.374 FCCOc1cc(ccc1Br)Cl 7a_100012339455_100011217306 [0,2,0,0,0,0|2,0,0]=4 15550 B12R1.374 FCCOc1cc(ccc1Br)F 34a_100000690578_100011217306 [0,2,0,0,0,0|2,0,0]=4 15551 B12R1.374 FCCOc1cc(ccc1Br)F 7a_100000690578_100011217306 [0,2,0,0,0,0|2,0,0]=4 15552 B12R1.374 FCCOc1cc(ccc1Br)I 34a_100012356990_100011217306 [0,2,0,0,0,0|2,0,0]=4 15553 B12R1.374 FCCOc1cc(ccc1Br)I 7a_100012356990_100011217306 [0,2,0,0,0,0|2,0,0]=4 15554 B12R1.374 FCCOc1cc(ccc1Cl)Br 34a_100000738945_100011217306 [0,2,0,0,0,0|2,0,0]=4 15555 B12R1.374 FCCOc1cc(ccc1Cl)Br 7a_100000738945_100011217306 [0,2,0,0,0,0|2,0,0]=4 15556 B12R1.374 FCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011217306 [0,2,0,0,0,0|2,0,0]=4 15557 B12R1.374 FCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011217306 [0,2,0,0,0,0|2,0,0]=4 15558 B12R1.374 FCCOc1cc(ccc1Cl)F 34a_100000692107_100011217306 [0,2,0,0,0,0|2,0,0]=4 15559 B12R1.374 FCCOc1cc(ccc1Cl)F 7a_100000692107_100011217306 [0,2,0,0,0,0|2,0,0]=4 15560 B12R1.374 FCCOc1cc(ccc1Cl)I 34a_100011356854_100011217306 [0,2,0,0,0,0|2,0,0]=4 15561 B12R1.374 FCCOc1cc(ccc1Cl)I 7a_100011356854_100011217306 [0,2,0,0,0,0|2,0,0]=4 15562 B12R1.374 FCCOc1cc(ccc1F)Br 34a_100000686035_100011217306 [0,2,0,0,0,0|2,0,0]=4 15563 B12R1.374 FCCOc1cc(ccc1F)Br 7a_100000686035_100011217306 [0,2,0,0,0,0|2,0,0]=4 15564 B12R1.374 FCCOc1cc(ccc1F)Cl 34a_100000757397_100011217306 [0,2,0,0,0,0|2,0,0]=4 15565 B12R1.374 FCCOc1cc(ccc1F)Cl 7a_100000757397_100011217306 [0,2,0,0,0,0|2,0,0]=4 15566 B12R1.374 FCCOc1cc(ccc1F)F 34a_100000752141_100011217306 [0,2,0,0,0,0|2,0,0]=4 15567 B12R1.374 FCCOc1cc(ccc1F)F 7a_100000752141_100011217306 [0,2,0,0,0,0|2,0,0]=4 15568 B12R1.374 FCCOc1cc(ccc1F)I 34a_100009958187_100011217306 [0,2,0,0,0,0|2,0,0]=4 15569 B12R1.374 FCCOc1cc(ccc1F)I 7a_100009958187_100011217306 [0,2,0,0,0,0|2,0,0]=4 15570 B12R1.374 FCCOc1cc(ccc1I)Br 34a_100012344904_100011217306 [0,2,0,0,0,0|2,0,0]=4 15571 B12R1.374 FCCOc1cc(ccc1I)Br 7a_100012344904_100011217306 [0,2,0,0,0,0|2,0,0]=4 15572 B12R1.374 FCCOc1cc(ccc1I)Cl 34a_100000050036_100011217306 [0,2,0,0,0,0|2,0,0]=4 15573 B12R1.374 FCCOc1cc(ccc1I)Cl 7a_100000050036_100011217306 [0,2,0,0,0,0|2,0,0]=4 15574 B12R1.374 FCCOc1cc(ccc1I)F 34a_100010084537_100011217306 [0,2,0,0,0,0|2,0,0]=4 15575 B12R1.374 FCCOc1cc(ccc1I)F 7a_100010084537_100011217306 [0,2,0,0,0,0|2,0,0]=4 15576 B12R1.374 FCCSc1cc(ccc1Br)Br 62a_100011217306_100011483371 [0,2,0,0,0,0|2,0,0]=4 15577 B12R1.374 FCCSc1cc(ccc1Br)Br 62a_100011483371_100011217306 [0,2,0,0,0,0|2,0,0]=4 15578 B12R1.374 FCCSc1cc(ccc1Br)Cl 62a_100011217306_100012339723 [0,2,0,0,0,0|2,0,0]=4 15579 B12R1.374 FCCSc1cc(ccc1Br)Cl 62a_100012339723_100011217306 [0,2,0,0,0,0|2,0,0]=4 15580 B12R1.374 FCCSc1cc(ccc1Br)F 62a_100011217306_100011217576 [0,2,0,0,0,0|2,0,0]=4 15581 B12R1.374 FCCSc1cc(ccc1Br)F 62a_100011217576_100011217306 [0,2,0,0,0,0|2,0,0]=4 15582 B12R1.374 FCCSc1cc(ccc1Cl)Br 62a_100011217306_100011772130 [0,2,0,0,0,0|2,0,0]=4 15583 B12R1.374 FCCSc1cc(ccc1Cl)Br 62a_100011772130_100011217306 [0,2,0,0,0,0|2,0,0]=4 15584 B12R1.374 FCCSc1cc(ccc1Cl)Cl 62a_100000707729_100011217306 [0,2,0,0,0,0|2,0,0]=4 15585 B12R1.374 FCCSc1cc(ccc1Cl)Cl 62a_100011217306_100000707729 [0,2,0,0,0,0|2,0,0]=4 15586 B12R1.374 FCCSc1cc(ccc1Cl)F 62a_100011217299_100011217306 [0,2,0,0,0,0|2,0,0]=4 15587 B12R1.374 FCCSc1cc(ccc1Cl)F 62a_100011217306_100011217299 [0,2,0,0,0,0|2,0,0]=4 15588 B12R1.374 FCCSc1cc(ccc1F)Br 62a_100011217306_100011217312 [0,2,0,0,0,0|2,0,0]=4 15589 B12R1.374 FCCSc1cc(ccc1F)Br 62a_100011217312_100011217306 [0,2,0,0,0,0|2,0,0]=4 15590 B12R1.374 FCCSc1cc(ccc1F)Cl 62a_100011217306_100011218116 [0,2,0,0,0,0|2,0,0]=4 15591 B12R1.374 FCCSc1cc(ccc1F)Cl 62a_100011218116_100011217306 [0,2,0,0,0,0|2,0,0]=4 15592 B12R1.374 FCCSc1cc(ccc1F)F 62a_100011217306_100011219198 [0,2,0,0,0,0|2,0,0]=4 15593 B12R1.374 FCCSc1cc(ccc1F)F 62a_100011219198_100011217306 [0,2,0,0,0,0|2,0,0]=4 15594 B12R1.374 FCNCc1cc(ccc1Br)Br 34a_100000707832_100015361967 [0,2,0,0,0,0|2,0,0]=4 15595 B12R1.374 FCNCc1cc(ccc1Br)F 34a_100000742738_100015361967 [0,2,0,0,0,0|2,0,0]=4 15596 B12R1.374 FCNCc1cc(ccc1Cl)Br 34a_100025772652_100015361967 [0,2,0,0,0,0|2,0,0]=4 15597 B12R1.374 FCNCc1cc(ccc1Cl)Cl 34a_100102946428_100015361967 [0,2,0,0,0,0|2,0,0]=4 15598 B12R1.374 FCNCc1cc(ccc1Cl)F 34a_100011830483_100015361967 [0,2,0,0,0,0|2,0,0]=4 15599 B12R1.374 FCNCc1cc(ccc1F)Br 34a_100009815772_100015361967 [0,2,0,0,0,0|2,0,0]=4 15600 B12R1.374 FCNCc1cc(ccc1F)Cl 34a_100011211646_100015361967 [0,2,0,0,0,0|2,0,0]=4 15601 B12R1.374 FCNCc1cc(ccc1F)F 34a_100000752317_100015361967 [0,2,0,0,0,0|2,0,0]=4 15602 B12R1.374 FCOCc1cc(ccc1Br)Br 34a_100011266457_100015361967 [0,2,0,0,0,0|2,0,0]=4 15603 B12R1.374 FCOCc1cc(ccc1Br)Br 7a_100011266457_100015361967 [0,2,0,0,0,0|2,0,0]=4 15604 B12R1.374 FCOCc1cc(ccc1Br)Cl 34a_100012355668_100015361967 [0,2,0,0,0,0|2,0,0]=4 15605 B12R1.374 FCOCc1cc(ccc1Br)Cl 7a_100012355668_100015361967 [0,2,0,0,0,0|2,0,0]=4 15606 B12R1.374 FCOCc1cc(ccc1Br)F 34a_100011217561_100015361967 [0,2,0,0,0,0|2,0,0]=4 15607 B12R1.374 FCOCc1cc(ccc1Br)F 7a_100011217561_100015361967 [0,2,0,0,0,0|2,0,0]=4 15608 B12R1.374 FCOCc1cc(ccc1Br)I 7a_100012359683_100015361967 [0,2,0,0,0,0|2,0,0]=4 15609 B12R1.374 FCOCc1cc(ccc1Cl)Br 34a_100011215897_100015361967 [0,2,0,0,0,0|2,0,0]=4 15610 B12R1.374 FCOCc1cc(ccc1Cl)Br 7a_100011215897_100015361967 [0,2,0,0,0,0|2,0,0]=4 15611 B12R1.374 FCOCc1cc(ccc1Cl)Cl 34a_100000698905_100015361967 [0,2,0,0,0,0|2,0,0]=4 15612 B12R1.374 FCOCc1cc(ccc1Cl)Cl 7a_100000698905_100015361967 [0,2,0,0,0,0|2,0,0]=4 15613 B12R1.374 FCOCc1cc(ccc1Cl)F 34a_100011218361_100015361967 [0,2,0,0,0,0|2,0,0]=4 15614 B12R1.374 FCOCc1cc(ccc1Cl)F 7a_100011218361_100015361967 [0,2,0,0,0,0|2,0,0]=4 15615 B12R1.374 FCOCc1cc(ccc1Cl)I 34a_100010128486_100015361967 [0,2,0,0,0,0|2,0,0]=4 15616 B12R1.374 FCOCc1cc(ccc1Cl)I 7a_100010128486_100015361967 [0,2,0,0,0,0|2,0,0]=4 15617 B12R1.374 FCOCc1cc(ccc1F)Br 34a_100000246282_100015361967 [0,2,0,0,0,0|2,0,0]=4 15618 B12R1.374 FCOCc1cc(ccc1F)Br 7a_100000246282_100015361967 [0,2,0,0,0,0|2,0,0]=4 15619 B12R1.374 FCOCc1cc(ccc1F)Cl 34a_100011217248_100015361967 [0,2,0,0,0,0|2,0,0]=4 15620 B12R1.374 FCOCc1cc(ccc1F)Cl 7a_100011217248_100015361967 [0,2,0,0,0,0|2,0,0]=4 15621 B12R1.374 FCOCc1cc(ccc1F)F 34a_100011217725_100015361967 [0,2,0,0,0,0|2,0,0]=4 15622 B12R1.374 FCOCc1cc(ccc1F)F 7a_100011217725_100015361967 [0,2,0,0,0,0|2,0,0]=4 15623 B12R1.374 FCOCc1cc(ccc1F)I 34a_100000049604_100015361967 [0,2,0,0,0,0|2,0,0]=4 15624 B12R1.374 FCOCc1cc(ccc1F)I 7a_100000049604_100015361967 [0,2,0,0,0,0|2,0,0]=4 15625 B12R1.374 FCOCc1cc(ccc1I)Br 34a_100011356890_100015361967 [0,2,0,0,0,0|2,0,0]=4 15626 B12R1.374 FCOCc1cc(ccc1I)Br 7a_100011356890_100015361967 [0,2,0,0,0,0|2,0,0]=4 15627 B12R1.374 FCOCc1cc(ccc1I)F 34a_100010255287_100015361967 [0,2,0,0,0,0|2,0,0]=4 15628 B12R1.374 FCOCc1cc(ccc1I)F 7a_100010255287_100015361967 [0,2,0,0,0,0|2,0,0]=4 15629 B12R1.374 FCSCc1cc(ccc1Br)Br 62a_100011982794_100015361967 [0,2,0,0,0,0|2,0,0]=4 15630 B12R1.374 FCSCc1cc(ccc1Br)Br 62a_100015361967_100011982794 [0,2,0,0,0,0|2,0,0]=4 15631 B12R1.374 FCSCc1cc(ccc1Br)Cl 62a_100000733903_100015361967 [0,2,0,0,0,0|2,0,0]=4 15632 B12R1.374 FCSCc1cc(ccc1Br)Cl 62a_100015361967_100000733903 [0,2,0,0,0,0|2,0,0]=4 15633 B12R1.374 FCSCc1cc(ccc1Br)F 62a_100000736370_100015361967 [0,2,0,0,0,0|2,0,0]=4 15634 B12R1.374 FCSCc1cc(ccc1Br)F 62a_100015361967_100000736370 [0,2,0,0,0,0|2,0,0]=4 15635 B12R1.374 FCSCc1cc(ccc1Br)I 62a_100012355412_100015361967 [0,2,0,0,0,0|2,0,0]=4 15636 B12R1.374 FCSCc1cc(ccc1Br)I 62a_100015361967_100012355412 [0,2,0,0,0,0|2,0,0]=4 15637 B12R1.374 FCSCc1cc(ccc1Cl)Br 62a_100000763347_100015361967 [0,2,0,0,0,0|2,0,0]=4 15638 B12R1.374 FCSCc1cc(ccc1Cl)Br 62a_100015361967_100000763347 [0,2,0,0,0,0|2,0,0]=4 15639 B12R1.374 FCSCc1cc(ccc1Cl)Cl 62a_100000756322_100015361967 [0,2,0,0,0,0|2,0,0]=4 15640 B12R1.374 FCSCc1cc(ccc1Cl)Cl 62a_100015361967_100000756322 [0,2,0,0,0,0|2,0,0]=4 15641 B12R1.374 FCSCc1cc(ccc1Cl)F 62a_100000709952_100015361967 [0,2,0,0,0,0|2,0,0]=4 15642 B12R1.374 FCSCc1cc(ccc1Cl)F 62a_100015361967_100000709952 [0,2,0,0,0,0|2,0,0]=4 15643 B12R1.374 FCSCc1cc(ccc1Cl)I 62a_100010188191_100015361967 [0,2,0,0,0,0|2,0,0]=4 15644 B12R1.374 FCSCc1cc(ccc1Cl)I 62a_100015361967_100010188191 [0,2,0,0,0,0|2,0,0]=4 15645 B12R1.374 FCSCc1cc(ccc1F)Br 62a_100000736399_100015361967 [0,2,0,0,0,0|2,0,0]=4 15646 B12R1.374 FCSCc1cc(ccc1F)Br 62a_100015361967_100000736399 [0,2,0,0,0,0|2,0,0]=4 15647 B12R1.374 FCSCc1cc(ccc1F)Cl 62a_100000716957_100015361967 [0,2,0,0,0,0|2,0,0]=4 15648 B12R1.374 FCSCc1cc(ccc1F)Cl 62a_100015361967_100000716957 [0,2,0,0,0,0|2,0,0]=4 15649 B12R1.374 FCSCc1cc(ccc1F)F 62a_100000685659_100015361967 [0,2,0,0,0,0|2,0,0]=4 15650 B12R1.374 FCSCc1cc(ccc1F)F 62a_100015361967_100000685659 [0,2,0,0,0,0|2,0,0]=4 15651 B12R1.374 FCSCc1cc(ccc1F)I 62a_100015361967_200010149601 [0,2,0,0,0,0|2,0,0]=4 15652 B12R1.374 FCSCc1cc(ccc1F)I 62a_200010149601_100015361967 [0,2,0,0,0,0|2,0,0]=4 15653 B12R1.374 FCSCc1cc(ccc1I)Br 62a_100012362523_100015361967 [0,2,0,0,0,0|2,0,0]=4 15654 B12R1.374 FCSCc1cc(ccc1I)Br 62a_100015361967_100012362523 [0,2,0,0,0,0|2,0,0]=4 15655 B12R1.374 FCSCc1cc(ccc1I)Cl 62a_100012348826_100015361967 [0,2,0,0,0,0|2,0,0]=4 15656 B12R1.374 FCSCc1cc(ccc1I)Cl 62a_100015361967_100012348826 [0,2,0,0,0,0|2,0,0]=4 15657 B12R1.374 FCSCc1cc(ccc1I)F 62a_100010149606_100015361967 [0,2,0,0,0,0|2,0,0]=4 15658 B12R1.374 FCSCc1cc(ccc1I)F 62a_100015361967_100010149606 [0,2,0,0,0,0|2,0,0]=4 15659 B12R1.374 Nc1cc(c(cn1)Cl)SCCO 62a_100000211926_100010134119 [0,2,0,0,0,0|2,0,0]=4 15660 B12R1.374 Nc1cc(c(cn1)Cl)SCCO 62a_100010134119_100000211926 [0,2,0,0,0,0|2,0,0]=4 15661 B12R1.374 Nc1cc(c(cn1)F)SCCO 62a_100000211926_100015713587 [0,2,0,0,0,0|2,0,0]=4 15662 B12R1.374 Nc1cc(c(cn1)F)SCCO 62a_100015713587_100000211926 [0,2,0,0,0,0|2,0,0]=4 15663 B12R1.374 Nc1ccc(c(c1)COCF)Br 34a_100012347228_100015361967 [0,2,0,0,0,0|2,0,0]=4 15664 B12R1.374 Nc1ccc(c(c1)COCF)Cl 34a_100011273577_100015361967 [0,2,0,0,0,0|2,0,0]=4 15665 B12R1.374 Nc1ccc(c(c1)COCF)F 34a_100011218011_100015361967 [0,2,0,0,0,0|2,0,0]=4 15666 B12R1.374 Nc1ccc(c(c1)OCCF)Cl 34a_100011934209_100011217306 [0,2,0,0,0,0|2,0,0]=4 15667 B12R1.374 Nc1ccc(c(c1)OCCF)F 34a_100012017398_100011217306 [0,2,0,0,0,0|2,0,0]=4 15668 B12R1.374 Nc1ccc(c(c1)OCCF)F 7a_100012017398_100011217306 [0,2,0,0,0,0|2,0,0]=4 15669 B12R1.374 Nc1ccc(c(c1)OCCF)N 34a_100025717382_100011217306 [0,2,0,0,0,0|2,0,0]=4 15670 B12R1.374 Nc1ccc(c(c1)OCCO)Cl 34a_100011934209_100000211926 [0,2,0,0,0,0|1,0,0]=3 15671 B12R1.374 Nc1ccc(c(c1)OCCO)F 34a_100012017398_100000211926 [0,2,0,0,0,0|1,0,0]=3 15672 B12R1.374 Nc1ccc(c(c1)OCCO)F 7a_100012017398_100000211926 [0,2,0,0,0,0|1,0,0]=3 15673 B12R1.374 Nc1ccc(c(c1)OCCO)N 34a_100025717382_100000211926 [0,2,0,0,0,0|1,0,0]=3 15674 B12R1.374 Nc1ccc(c(c1)SCCF)Br 62a_100000750459_100011217306 [0,2,0,0,0,0|2,0,0]=4 15675 B12R1.374 Nc1ccc(c(c1)SCCF)Br 62a_100011217306_100000750459 [0,2,0,0,0,0|2,0,0]=4 15676 B12R1.374 Nc1ccc(c(c1)SCCF)Cl 62a_100011217306_100012360549 [0,2,0,0,0,0|2,0,0]=4 15677 B12R1.374 Nc1ccc(c(c1)SCCF)Cl 62a_100012360549_100011217306 [0,2,0,0,0,0|2,0,0]=4 15678 B12R1.374 Nc1ccc(c(c1)SCCF)F 62a_100000760356_100011217306 [0,2,0,0,0,0|2,0,0]=4 15679 B12R1.374 Nc1ccc(c(c1)SCCF)F 62a_100011217306_100000760356 [0,2,0,0,0,0|2,0,0]=4 15680 B12R1.374 Nc1ccc(c(c1)SCCF)N 62a_100011217306_100011534242 [0,2,0,0,0,0|2,0,0]=4 15681 B12R1.374 Nc1ccc(c(c1)SCCF)N 62a_100011534242_100011217306 [0,2,0,0,0,0|2,0,0]=4 15682 B12R1.374 Nc1ccc(c(c1)SCCF)O 62a_100011217306_100011534360 [0,2,0,0,0,0|2,0,0]=4 15683 B12R1.374 Nc1ccc(c(c1)SCCF)O 62a_100011534360_100011217306 [0,2,0,0,0,0|2,0,0]=4 15684 B12R1.374 Nc1ccc(c(c1)SCCO)Br 62a_100000211926_100000750459 [0,2,0,0,0,0|1,0,0]=3 15685 B12R1.374 Nc1ccc(c(c1)SCCO)Br 62a_100000750459_100000211926 [0,2,0,0,0,0|1,0,0]=3 15686 B12R1.374 Nc1ccc(c(c1)SCCO)Cl 62a_100000211926_100012360549 [0,2,0,0,0,0|1,0,0]=3 15687 B12R1.374 Nc1ccc(c(c1)SCCO)Cl 62a_100012360549_100000211926 [0,2,0,0,0,0|1,0,0]=3 15688 B12R1.374 Nc1ccc(c(c1)SCCO)F 62a_100000211926_100000760356 [0,2,0,0,0,0|1,0,0]=3 15689 B12R1.374 Nc1ccc(c(c1)SCCO)F 62a_100000760356_100000211926 [0,2,0,0,0,0|1,0,0]=3 15690 B12R1.374 Nc1ccc(c(c1)SCCO)N 62a_100000211926_100011534242 [0,2,0,0,0,0|1,0,0]=3 15691 B12R1.374 Nc1ccc(c(c1)SCCO)N 62a_100011534242_100000211926 [0,2,0,0,0,0|1,0,0]=3 15692 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100000211926_100011534360 [0,2,0,0,0,0|1,0,0]=3 15693 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100011534360_100000211926 [0,2,0,0,0,0|1,0,0]=3 15694 B12R1.374 Nc1ccc(c(n1)SCCO)Br 62a_100000211926_100010192275 [0,2,0,0,0,0|2,0,0]=4 15695 B12R1.374 Nc1ccc(c(n1)SCCO)Br 62a_100010192275_100000211926 [0,2,0,0,0,0|2,0,0]=4 15696 B12R1.374 Nc1ccc(c(n1)SCCO)F 62a_100000211926_100010892222 [0,2,0,0,0,0|2,0,0]=4 15697 B12R1.374 Nc1ccc(c(n1)SCCO)F 62a_100010892222_100000211926 [0,2,0,0,0,0|2,0,0]=4 15698 B12R1.374 Nc1ccc(c(n1)SCCO)N 62a_100000211926_200009884323 [0,2,0,0,0,0|2,0,0]=4 15699 B12R1.374 Nc1ccc(c(n1)SCCO)N 62a_200009884323_100000211926 [0,2,0,0,0,0|2,0,0]=4 15700 B12R1.374 Nc1ccc(cc1COCF)Br 34a_100012353972_100015361967 [0,2,0,0,0,0|2,0,0]=4 15701 B12R1.374 Nc1ccc(cc1COCF)Br 7a_100012353972_100015361967 [0,2,0,0,0,0|2,0,0]=4 15702 B12R1.374 Nc1ccc(cc1COCF)Cl 34a_100011214999_100015361967 [0,2,0,0,0,0|2,0,0]=4 15703 B12R1.374 Nc1ccc(cc1COCF)Cl 7a_100011214999_100015361967 [0,2,0,0,0,0|2,0,0]=4 15704 B12R1.374 Nc1ccc(cc1COCF)F 34a_100011296978_100015361967 [0,2,0,0,0,0|2,0,0]=4 15705 B12R1.374 Nc1ccc(cc1COCF)F 7a_100011296978_100015361967 [0,2,0,0,0,0|2,0,0]=4 15706 B12R1.374 Nc1ccc(cc1OCCF)Br 34a_100000739049_100011217306 [0,2,0,0,0,0|2,0,0]=4 15707 B12R1.374 Nc1ccc(cc1OCCF)Br 7a_100000739049_100011217306 [0,2,0,0,0,0|2,0,0]=4 15708 B12R1.374 Nc1ccc(cc1OCCF)Cl 34a_100000185728_100011217306 [0,2,0,0,0,0|2,0,0]=4 15709 B12R1.374 Nc1ccc(cc1OCCF)Cl 7a_100000185728_100011217306 [0,2,0,0,0,0|2,0,0]=4 15710 B12R1.374 Nc1ccc(cc1OCCF)F 34a_100000753323_100011217306 [0,2,0,0,0,0|2,0,0]=4 15711 B12R1.374 Nc1ccc(cc1OCCF)F 7a_100000753323_100011217306 [0,2,0,0,0,0|2,0,0]=4 15712 B12R1.374 Nc1ccc(cc1OCCF)I 34a_100000057187_100011217306 [0,2,0,0,0,0|2,0,0]=4 15713 B12R1.374 Nc1ccc(cc1OCCF)I 7a_100000057187_100011217306 [0,2,0,0,0,0|2,0,0]=4 15714 B12R1.374 Nc1ccc(cc1OCCO)Br 34a_100000739049_100000211926 [0,2,0,0,0,0|1,0,0]=3 15715 B12R1.374 Nc1ccc(cc1OCCO)Br 7a_100000739049_100000211926 [0,2,0,0,0,0|1,0,0]=3 15716 B12R1.374 Nc1ccc(cc1OCCO)Cl 34a_100000185728_100000211926 [0,2,0,0,0,0|1,0,0]=3 15717 B12R1.374 Nc1ccc(cc1OCCO)Cl 7a_100000185728_100000211926 [0,2,0,0,0,0|1,0,0]=3 15718 B12R1.374 Nc1ccc(cc1OCCO)F 34a_100000753323_100000211926 [0,2,0,0,0,0|1,0,0]=3 15719 B12R1.374 Nc1ccc(cc1OCCO)F 7a_100000753323_100000211926 [0,2,0,0,0,0|1,0,0]=3 15720 B12R1.374 Nc1ccc(cc1OCCO)I 34a_100000057187_100000211926 [0,2,0,0,0,0|1,0,0]=3 15721 B12R1.374 Nc1ccc(cc1OCCO)I 7a_100000057187_100000211926 [0,2,0,0,0,0|1,0,0]=3 15722 B12R1.374 Nc1ccc(cc1SCCF)Br 62a_100000187925_100011217306 [0,2,0,0,0,0|2,0,0]=4 15723 B12R1.374 Nc1ccc(cc1SCCF)Br 62a_100011217306_100000187925 [0,2,0,0,0,0|2,0,0]=4 15724 B12R1.374 Nc1ccc(cc1SCCF)Cl 62a_100000761889_100011217306 [0,2,0,0,0,0|2,0,0]=4 15725 B12R1.374 Nc1ccc(cc1SCCF)Cl 62a_100011217306_100000761889 [0,2,0,0,0,0|2,0,0]=4 15726 B12R1.374 Nc1ccc(cc1SCCF)F 62a_100000760547_100011217306 [0,2,0,0,0,0|2,0,0]=4 15727 B12R1.374 Nc1ccc(cc1SCCF)F 62a_100011217306_100000760547 [0,2,0,0,0,0|2,0,0]=4 15728 B12R1.374 Nc1ccc(cc1SCCF)O 62a_100011217306_100012001276 [0,2,0,0,0,0|2,0,0]=4 15729 B12R1.374 Nc1ccc(cc1SCCF)O 62a_100012001276_100011217306 [0,2,0,0,0,0|2,0,0]=4 15730 B12R1.374 Nc1ccc(cc1SCCO)Br 62a_100000187925_100000211926 [0,2,0,0,0,0|1,0,0]=3 15731 B12R1.374 Nc1ccc(cc1SCCO)Br 62a_100000211926_100000187925 [0,2,0,0,0,0|1,0,0]=3 15732 B12R1.374 Nc1ccc(cc1SCCO)Cl 62a_100000211926_100000761889 [0,2,0,0,0,0|1,0,0]=3 15733 B12R1.374 Nc1ccc(cc1SCCO)Cl 62a_100000761889_100000211926 [0,2,0,0,0,0|1,0,0]=3 15734 B12R1.374 Nc1ccc(cc1SCCO)F 62a_100000211926_100000760547 [0,2,0,0,0,0|1,0,0]=3 15735 B12R1.374 Nc1ccc(cc1SCCO)F 62a_100000760547_100000211926 [0,2,0,0,0,0|1,0,0]=3 15736 B12R1.374 Nc1ccc(cc1SCCO)O 62a_100000211926_100012001276 [0,2,0,0,0,0|1,0,0]=3 15737 B12R1.374 Nc1ccc(cc1SCCO)O 62a_100012001276_100000211926 [0,2,0,0,0,0|1,0,0]=3 15738 B12R1.374 Nc1ccc(nc1NCCO)F 27a_100000210304_100009879877 [0,2,0,0,0,0|2,0,0]=4 15739 B12R1.374 Nc1ccc(nc1SCCO)Br 62a_100000211926_100010168765 [0,2,0,0,0,0|2,0,0]=4 15740 B12R1.374 Nc1ccc(nc1SCCO)Br 62a_100010168765_100000211926 [0,2,0,0,0,0|2,0,0]=4 15741 B12R1.374 Nc1ccc(nc1SCCO)Cl 62a_100000211926_100010233647 [0,2,0,0,0,0|2,0,0]=4 15742 B12R1.374 Nc1ccc(nc1SCCO)Cl 62a_100010233647_100000211926 [0,2,0,0,0,0|2,0,0]=4 15743 B12R1.374 Nc1ccc(nc1SCCO)F 62a_100000211926_100009879877 [0,2,0,0,0,0|2,0,0]=4 15744 B12R1.374 Nc1ccc(nc1SCCO)F 62a_100009879877_100000211926 [0,2,0,0,0,0|2,0,0]=4 15745 B12R1.374 Nc1cnc(c(c1)SCCO)Br 62a_100000211926_100010201102 [0,2,0,0,0,0|2,0,0]=4 15746 B12R1.374 Nc1cnc(c(c1)SCCO)Br 62a_100010201102_100000211926 [0,2,0,0,0,0|2,0,0]=4 15747 B12R1.374 Nc1cnc(c(c1)SCCO)Cl 62a_100000211926_100010253917 [0,2,0,0,0,0|2,0,0]=4 15748 B12R1.374 Nc1cnc(c(c1)SCCO)Cl 62a_100010253917_100000211926 [0,2,0,0,0,0|2,0,0]=4 15749 B12R1.374 Nc1cnc(c(c1)SCCO)F 62a_100000211926_100009840397 [0,2,0,0,0,0|2,0,0]=4 15750 B12R1.374 Nc1cnc(c(c1)SCCO)F 62a_100009840397_100000211926 [0,2,0,0,0,0|2,0,0]=4 15751 B12R1.374 Nc1cnc(c(c1)SCCO)N 62a_100000211926_200011934315 [0,2,0,0,0,0|2,0,0]=4 15752 B12R1.374 Nc1cnc(c(c1)SCCO)N 62a_200011934315_100000211926 [0,2,0,0,0,0|2,0,0]=4 15753 B12R1.374 Nc1cnc(cc1SCCO)Cl 62a_100000050123_100000211926 [0,2,0,0,0,0|2,0,0]=4 15754 B12R1.374 Nc1cnc(cc1SCCO)Cl 62a_100000211926_100000050123 [0,2,0,0,0,0|2,0,0]=4 15755 B12R1.374 Nc1ncc(cc1OCCO)Br 34a_100009819042_100000211926 [0,2,0,0,0,0|2,0,0]=4 15756 B12R1.374 Nc1ncc(cc1OCCO)Br 7a_100009819042_100000211926 [0,2,0,0,0,0|2,0,0]=4 15757 B12R1.374 Nc1ncc(cc1OCCO)Cl 34a_100000123674_100000211926 [0,2,0,0,0,0|2,0,0]=4 15758 B12R1.374 Nc1ncc(cc1OCCO)Cl 7a_100000123674_100000211926 [0,2,0,0,0,0|2,0,0]=4 15759 B12R1.374 Nc1ncc(cc1OCCO)F 34a_100000094369_100000211926 [0,2,0,0,0,0|2,0,0]=4 15760 B12R1.374 Nc1ncc(cc1OCCO)F 7a_100000094369_100000211926 [0,2,0,0,0,0|2,0,0]=4 15761 B12R1.374 Nc1ncc(cc1SCCO)Br 62a_100000211926_100000760472 [0,2,0,0,0,0|2,0,0]=4 15762 B12R1.374 Nc1ncc(cc1SCCO)Br 62a_100000760472_100000211926 [0,2,0,0,0,0|2,0,0]=4 15763 B12R1.374 Nc1ncc(cc1SCCO)Cl 62a_100000050159_100000211926 [0,2,0,0,0,0|2,0,0]=4 15764 B12R1.374 Nc1ncc(cc1SCCO)Cl 62a_100000211926_100000050159 [0,2,0,0,0,0|2,0,0]=4 15765 B12R1.374 Nc1ncc(cc1SCCO)F 62a_100000211926_100009814671 [0,2,0,0,0,0|2,0,0]=4 15766 B12R1.374 Nc1ncc(cc1SCCO)F 62a_100009814671_100000211926 [0,2,0,0,0,0|2,0,0]=4 15767 B12R1.374 O=c1[nH]cc(cc1SCCO)F 62a_100000211926_100009817720 [0,2,0,0,0,0|2,0,0]=4 15768 B12R1.374 O=c1[nH]cc(cc1SCCO)F 62a_100009817720_100000211926 [0,2,0,0,0,0|2,0,0]=4 15769 B12R1.374 O=c1cc(c(c[nH]1)Cl)OCCO 34a_100000069390_100000211926 [0,2,0,0,0,0|2,0,0]=4 15770 B12R1.374 O=c1cc(c(c[nH]1)F)SCCO 62a_100000211926_100009817642 [0,2,0,0,0,0|2,0,0]=4 15771 B12R1.374 O=c1cc(c(c[nH]1)F)SCCO 62a_100009817642_100000211926 [0,2,0,0,0,0|2,0,0]=4 15772 B12R1.374 OCCNc1cc(ccc1Br)Br 34a_100000737762_100000211926 [0,2,0,0,0,0|1,0,0]=3 15773 B12R1.374 OCCNc1cc(ccc1Br)Cl 34a_100000687073_100000211926 [0,2,0,0,0,0|1,0,0]=3 15774 B12R1.374 OCCNc1cc(ccc1Br)F 34a_100000687223_100000211926 [0,2,0,0,0,0|1,0,0]=3 15775 B12R1.374 OCCNc1cc(ccc1Br)O 34a_100011999798_100000211926 [0,2,0,0,0,0|1,0,0]=3 15776 B12R1.374 OCCNc1cc(ccc1Cl)Br 34a_100000750497_100000211926 [0,2,0,0,0,0|1,0,0]=3 15777 B12R1.374 OCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000211926 [0,2,0,0,0,0|1,0,0]=3 15778 B12R1.374 OCCNc1cc(ccc1Cl)F 34a_100000751338_100000211926 [0,2,0,0,0,0|1,0,0]=3 15779 B12R1.374 OCCNc1cc(ccc1Cl)I 34a_200000761891_100000211926 [0,2,0,0,0,0|1,0,0]=3 15780 B12R1.374 OCCNc1cc(ccc1Cl)O 34a_100011934297_100000211926 [0,2,0,0,0,0|1,0,0]=3 15781 B12R1.374 OCCNc1cc(ccc1F)Br 34a_100000740924_100000211926 [0,2,0,0,0,0|1,0,0]=3 15782 B12R1.374 OCCNc1cc(ccc1F)Cl 34a_100000212115_100000211926 [0,2,0,0,0,0|1,0,0]=3 15783 B12R1.374 OCCNc1cc(ccc1F)F 34a_100000210742_100000211926 [0,2,0,0,0,0|1,0,0]=3 15784 B12R1.374 OCCNc1cc(ccc1F)I 34a_100011464823_100000211926 [0,2,0,0,0,0|1,0,0]=3 15785 B12R1.374 OCCNc1cc(ccc1F)O 34a_100012017239_100000211926 [0,2,0,0,0,0|1,0,0]=3 15786 B12R1.374 OCCNc1cc(ccc1I)Br 34a_100000743836_100000211926 [0,2,0,0,0,0|1,0,0]=3 15787 B12R1.374 OCCNc1cc(ccc1I)Cl 34a_100000761886_100000211926 [0,2,0,0,0,0|1,0,0]=3 15788 B12R1.374 OCCNc1cc(ccc1I)F 34a_100011218093_100000211926 [0,2,0,0,0,0|1,0,0]=3 15789 B12R1.374 OCCNc1cc(ccc1O)Br 34a_100000752626_100000211926 [0,2,0,0,0,0|1,0,0]=3 15790 B12R1.374 OCCNc1cc(ccc1O)Cl 34a_100000210500_100000211926 [0,2,0,0,0,0|1,0,0]=3 15791 B12R1.374 OCCNc1cc(ccc1O)F 34a_100000759472_100000211926 [0,2,0,0,0,0|1,0,0]=3 15792 B12R1.374 OCCNc1cc(cnc1F)Br 27a_100000210304_100010172738 [0,2,0,0,0,0|2,0,0]=4 15793 B12R1.374 OCCNc1cc(cnc1F)Cl 27a_100000210304_100010188783 [0,2,0,0,0,0|2,0,0]=4 15794 B12R1.374 OCCNc1cc(ncc1Br)Br 27a_100000210304_100010171693 [0,2,0,0,0,0|2,0,0]=4 15795 B12R1.374 OCCNc1cc(ncc1Cl)F 27a_100000210304_100009892587 [0,2,0,0,0,0|2,0,0]=4 15796 B12R1.374 OCCNc1cc(ncc1F)F 27a_100000210304_100010233071 [0,2,0,0,0,0|2,0,0]=4 15797 B12R1.374 OCCNc1nc(ccc1F)F 27a_100000210304_100010997973 [0,2,0,0,0,0|2,0,0]=4 15798 B12R1.374 OCCOc1cc(ccc1Br)Br 34a_100011220040_100000211926 [0,2,0,0,0,0|1,0,0]=3 15799 B12R1.374 OCCOc1cc(ccc1Br)Br 7a_100011220040_100000211926 [0,2,0,0,0,0|1,0,0]=3 15800 B12R1.374 OCCOc1cc(ccc1Br)Cl 34a_100012339455_100000211926 [0,2,0,0,0,0|1,0,0]=3 15801 B12R1.374 OCCOc1cc(ccc1Br)Cl 7a_100012339455_100000211926 [0,2,0,0,0,0|1,0,0]=3 15802 B12R1.374 OCCOc1cc(ccc1Br)F 34a_100000690578_100000211926 [0,2,0,0,0,0|1,0,0]=3 15803 B12R1.374 OCCOc1cc(ccc1Br)F 7a_100000690578_100000211926 [0,2,0,0,0,0|1,0,0]=3 15804 B12R1.374 OCCOc1cc(ccc1Br)I 34a_100012356990_100000211926 [0,2,0,0,0,0|1,0,0]=3 15805 B12R1.374 OCCOc1cc(ccc1Br)I 7a_100012356990_100000211926 [0,2,0,0,0,0|1,0,0]=3 15806 B12R1.374 OCCOc1cc(ccc1Cl)Br 34a_100000738945_100000211926 [0,2,0,0,0,0|1,0,0]=3 15807 B12R1.374 OCCOc1cc(ccc1Cl)Br 7a_100000738945_100000211926 [0,2,0,0,0,0|1,0,0]=3 15808 B12R1.374 OCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000211926 [0,2,0,0,0,0|1,0,0]=3 15809 B12R1.374 OCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000211926 [0,2,0,0,0,0|1,0,0]=3 15810 B12R1.374 OCCOc1cc(ccc1Cl)F 34a_100000692107_100000211926 [0,2,0,0,0,0|1,0,0]=3 15811 B12R1.374 OCCOc1cc(ccc1Cl)F 7a_100000692107_100000211926 [0,2,0,0,0,0|1,0,0]=3 15812 B12R1.374 OCCOc1cc(ccc1Cl)I 34a_100011356854_100000211926 [0,2,0,0,0,0|1,0,0]=3 15813 B12R1.374 OCCOc1cc(ccc1Cl)I 7a_100011356854_100000211926 [0,2,0,0,0,0|1,0,0]=3 15814 B12R1.374 OCCOc1cc(ccc1F)Br 34a_100000686035_100000211926 [0,2,0,0,0,0|1,0,0]=3 15815 B12R1.374 OCCOc1cc(ccc1F)Br 7a_100000686035_100000211926 [0,2,0,0,0,0|1,0,0]=3 15816 B12R1.374 OCCOc1cc(ccc1F)Cl 34a_100000757397_100000211926 [0,2,0,0,0,0|1,0,0]=3 15817 B12R1.374 OCCOc1cc(ccc1F)Cl 7a_100000757397_100000211926 [0,2,0,0,0,0|1,0,0]=3 15818 B12R1.374 OCCOc1cc(ccc1F)F 34a_100000752141_100000211926 [0,2,0,0,0,0|1,0,0]=3 15819 B12R1.374 OCCOc1cc(ccc1F)F 7a_100000752141_100000211926 [0,2,0,0,0,0|1,0,0]=3 15820 B12R1.374 OCCOc1cc(ccc1F)I 34a_100009958187_100000211926 [0,2,0,0,0,0|1,0,0]=3 15821 B12R1.374 OCCOc1cc(ccc1F)I 7a_100009958187_100000211926 [0,2,0,0,0,0|1,0,0]=3 15822 B12R1.374 OCCOc1cc(ccc1I)Br 34a_100012344904_100000211926 [0,2,0,0,0,0|1,0,0]=3 15823 B12R1.374 OCCOc1cc(ccc1I)Br 7a_100012344904_100000211926 [0,2,0,0,0,0|1,0,0]=3 15824 B12R1.374 OCCOc1cc(ccc1I)Cl 34a_100000050036_100000211926 [0,2,0,0,0,0|1,0,0]=3 15825 B12R1.374 OCCOc1cc(ccc1I)Cl 7a_100000050036_100000211926 [0,2,0,0,0,0|1,0,0]=3 15826 B12R1.374 OCCOc1cc(ccc1I)F 34a_100010084537_100000211926 [0,2,0,0,0,0|1,0,0]=3 15827 B12R1.374 OCCOc1cc(ccc1I)F 7a_100010084537_100000211926 [0,2,0,0,0,0|1,0,0]=3 15828 B12R1.374 OCCOc1cc(cnc1Br)Cl 34a_100000697010_100000211926 [0,2,0,0,0,0|2,0,0]=4 15829 B12R1.374 OCCOc1cc(cnc1Br)Cl 7a_100000697010_100000211926 [0,2,0,0,0,0|2,0,0]=4 15830 B12R1.374 OCCOc1cc(cnc1Br)F 34a_100009820119_100000211926 [0,2,0,0,0,0|2,0,0]=4 15831 B12R1.374 OCCOc1cc(cnc1Br)F 7a_100009820119_100000211926 [0,2,0,0,0,0|2,0,0]=4 15832 B12R1.374 OCCOc1cc(cnc1Cl)Br 34a_100012354860_100000211926 [0,2,0,0,0,0|2,0,0]=4 15833 B12R1.374 OCCOc1cc(cnc1Cl)Br 7a_100012354860_100000211926 [0,2,0,0,0,0|2,0,0]=4 15834 B12R1.374 OCCOc1cc(cnc1Cl)F 34a_100000079967_100000211926 [0,2,0,0,0,0|2,0,0]=4 15835 B12R1.374 OCCOc1cc(cnc1Cl)F 7a_100000079967_100000211926 [0,2,0,0,0,0|2,0,0]=4 15836 B12R1.374 OCCOc1cc(cnc1F)Br 34a_100009819871_100000211926 [0,2,0,0,0,0|2,0,0]=4 15837 B12R1.374 OCCOc1cc(cnc1F)Br 7a_100009819871_100000211926 [0,2,0,0,0,0|2,0,0]=4 15838 B12R1.374 OCCOc1cc(cnc1F)Cl 34a_100000094372_100000211926 [0,2,0,0,0,0|2,0,0]=4 15839 B12R1.374 OCCOc1cc(cnc1F)Cl 7a_100000094372_100000211926 [0,2,0,0,0,0|2,0,0]=4 15840 B12R1.374 OCCOc1cc(cnc1I)Br 34a_100010210634_100000211926 [0,2,0,0,0,0|2,0,0]=4 15841 B12R1.374 OCCOc1cc(cnc1I)Br 7a_100010210634_100000211926 [0,2,0,0,0,0|2,0,0]=4 15842 B12R1.374 OCCOc1cc(cnc1I)Cl 34a_100010233512_100000211926 [0,2,0,0,0,0|2,0,0]=4 15843 B12R1.374 OCCOc1cc(cnc1I)Cl 7a_100010233512_100000211926 [0,2,0,0,0,0|2,0,0]=4 15844 B12R1.374 OCCOc1cc(cnc1I)F 34a_100015624800_100000211926 [0,2,0,0,0,0|2,0,0]=4 15845 B12R1.374 OCCOc1cc(cnc1I)F 7a_100015624800_100000211926 [0,2,0,0,0,0|2,0,0]=4 15846 B12R1.374 OCCOc1cc(ncc1Br)Br 34a_100010235016_100000211926 [0,2,0,0,0,0|2,0,0]=4 15847 B12R1.374 OCCOc1cc(ncc1Br)Cl 34a_100010173860_100000211926 [0,2,0,0,0,0|2,0,0]=4 15848 B12R1.374 OCCOc1cc(ncc1Cl)Br 34a_100010173861_100000211926 [0,2,0,0,0,0|2,0,0]=4 15849 B12R1.374 OCCOc1cc(ncc1F)Br 34a_100009854642_100000211926 [0,2,0,0,0,0|2,0,0]=4 15850 B12R1.374 OCCOc1cc(ncc1F)Cl 34a_100009851168_100000211926 [0,2,0,0,0,0|2,0,0]=4 15851 B12R1.374 OCCOc1nc(ccc1F)Cl 34a_100010729010_100000211926 [0,2,0,0,0,0|2,0,0]=4 15852 B12R1.374 OCCSc1cc(ccc1Br)Br 62a_100000211926_100011483371 [0,2,0,0,0,0|1,0,0]=3 15853 B12R1.374 OCCSc1cc(ccc1Br)Br 62a_100011483371_100000211926 [0,2,0,0,0,0|1,0,0]=3 15854 B12R1.374 OCCSc1cc(ccc1Br)Cl 62a_100000211926_100012339723 [0,2,0,0,0,0|1,0,0]=3 15855 B12R1.374 OCCSc1cc(ccc1Br)Cl 62a_100012339723_100000211926 [0,2,0,0,0,0|1,0,0]=3 15856 B12R1.374 OCCSc1cc(ccc1Br)F 62a_100000211926_100011217576 [0,2,0,0,0,0|1,0,0]=3 15857 B12R1.374 OCCSc1cc(ccc1Br)F 62a_100011217576_100000211926 [0,2,0,0,0,0|1,0,0]=3 15858 B12R1.374 OCCSc1cc(ccc1Br)O 62a_100000211926_100012339312 [0,2,0,0,0,0|1,0,0]=3 15859 B12R1.374 OCCSc1cc(ccc1Br)O 62a_100012339312_100000211926 [0,2,0,0,0,0|1,0,0]=3 15860 B12R1.374 OCCSc1cc(ccc1Cl)Br 62a_100000211926_100011772130 [0,2,0,0,0,0|1,0,0]=3 15861 B12R1.374 OCCSc1cc(ccc1Cl)Br 62a_100011772130_100000211926 [0,2,0,0,0,0|1,0,0]=3 15862 B12R1.374 OCCSc1cc(ccc1Cl)Cl 62a_100000211926_100000707729 [0,2,0,0,0,0|1,0,0]=3 15863 B12R1.374 OCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000211926 [0,2,0,0,0,0|1,0,0]=3 15864 B12R1.374 OCCSc1cc(ccc1Cl)F 62a_100000211926_100011217299 [0,2,0,0,0,0|1,0,0]=3 15865 B12R1.374 OCCSc1cc(ccc1Cl)F 62a_100011217299_100000211926 [0,2,0,0,0,0|1,0,0]=3 15866 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000049588_100000211926 [0,2,0,0,0,0|1,0,0]=3 15867 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000211926_100000049588 [0,2,0,0,0,0|1,0,0]=3 15868 B12R1.374 OCCSc1cc(ccc1F)Br 62a_100000211926_100011217312 [0,2,0,0,0,0|1,0,0]=3 15869 B12R1.374 OCCSc1cc(ccc1F)Br 62a_100011217312_100000211926 [0,2,0,0,0,0|1,0,0]=3 15870 B12R1.374 OCCSc1cc(ccc1F)Cl 62a_100000211926_100011218116 [0,2,0,0,0,0|1,0,0]=3 15871 B12R1.374 OCCSc1cc(ccc1F)Cl 62a_100011218116_100000211926 [0,2,0,0,0,0|1,0,0]=3 15872 B12R1.374 OCCSc1cc(ccc1F)F 62a_100000211926_100011219198 [0,2,0,0,0,0|1,0,0]=3 15873 B12R1.374 OCCSc1cc(ccc1F)F 62a_100011219198_100000211926 [0,2,0,0,0,0|1,0,0]=3 15874 B12R1.374 OCCSc1cc(ccc1F)O 62a_100000211926_100000693481 [0,2,0,0,0,0|1,0,0]=3 15875 B12R1.374 OCCSc1cc(ccc1F)O 62a_100000693481_100000211926 [0,2,0,0,0,0|1,0,0]=3 15876 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100000211926_100012355227 [0,2,0,0,0,0|1,0,0]=3 15877 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100012355227_100000211926 [0,2,0,0,0,0|1,0,0]=3 15878 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100000211926_100011356953 [0,2,0,0,0,0|1,0,0]=3 15879 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100011356953_100000211926 [0,2,0,0,0,0|1,0,0]=3 15880 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211926_100000211999 [0,2,0,0,0,0|1,0,0]=3 15881 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211999_100000211926 [0,2,0,0,0,0|1,0,0]=3 15882 B12R1.374 OCCSc1cc(ccc1O)O 62a_100000211926_100009813629 [0,2,0,0,0,0|1,0,0]=3 15883 B12R1.374 OCCSc1cc(cnc1Cl)Br 62a_100000211926_100009814771 [0,2,0,0,0,0|2,0,0]=4 15884 B12R1.374 OCCSc1cc(cnc1Cl)Br 62a_100009814771_100000211926 [0,2,0,0,0,0|2,0,0]=4 15885 B12R1.374 OCCSc1cc(cnc1Cl)Cl 62a_100000211926_200000062399 [0,2,0,0,0,0|2,0,0]=4 15886 B12R1.374 OCCSc1cc(cnc1Cl)Cl 62a_200000062399_100000211926 [0,2,0,0,0,0|2,0,0]=4 15887 B12R1.374 OCCSc1cc(cnc1F)Br 62a_100000211926_100010172738 [0,2,0,0,0,0|2,0,0]=4 15888 B12R1.374 OCCSc1cc(cnc1F)Br 62a_100010172738_100000211926 [0,2,0,0,0,0|2,0,0]=4 15889 B12R1.374 OCCSc1cc(cnc1F)Cl 62a_100000211926_100010188783 [0,2,0,0,0,0|2,0,0]=4 15890 B12R1.374 OCCSc1cc(cnc1F)Cl 62a_100010188783_100000211926 [0,2,0,0,0,0|2,0,0]=4 15891 B12R1.374 OCCSc1cc(cnc1F)F 62a_100000211926_100009820768 [0,2,0,0,0,0|2,0,0]=4 15892 B12R1.374 OCCSc1cc(cnc1F)F 62a_100009820768_100000211926 [0,2,0,0,0,0|2,0,0]=4 15893 B12R1.374 OCCSc1cc(cnc1F)O 62a_100000211926_100009817267 [0,2,0,0,0,0|2,0,0]=4 15894 B12R1.374 OCCSc1cc(cnc1F)O 62a_100009817267_100000211926 [0,2,0,0,0,0|2,0,0]=4 15895 B12R1.374 OCCSc1cc(cnc1O)Br 62a_100000211926_100010197142 [0,2,0,0,0,0|2,0,0]=4 15896 B12R1.374 OCCSc1cc(cnc1O)Br 62a_100010197142_100000211926 [0,2,0,0,0,0|2,0,0]=4 15897 B12R1.374 OCCSc1cc(cnc1O)Cl 62a_100000211926_100010188700 [0,2,0,0,0,0|2,0,0]=4 15898 B12R1.374 OCCSc1cc(cnc1O)Cl 62a_100010188700_100000211926 [0,2,0,0,0,0|2,0,0]=4 15899 B12R1.374 OCCSc1cc(ncc1Br)Br 62a_100000211926_100010171693 [0,2,0,0,0,0|2,0,0]=4 15900 B12R1.374 OCCSc1cc(ncc1Br)Br 62a_100010171693_100000211926 [0,2,0,0,0,0|2,0,0]=4 15901 B12R1.374 OCCSc1cc(ncc1Br)Cl 62a_100000211926_100009815598 [0,2,0,0,0,0|2,0,0]=4 15902 B12R1.374 OCCSc1cc(ncc1Br)Cl 62a_100009815598_100000211926 [0,2,0,0,0,0|2,0,0]=4 15903 B12R1.374 OCCSc1cc(ncc1Cl)Br 62a_100000211926_100010223331 [0,2,0,0,0,0|2,0,0]=4 15904 B12R1.374 OCCSc1cc(ncc1Cl)Br 62a_100010223331_100000211926 [0,2,0,0,0,0|2,0,0]=4 15905 B12R1.374 OCCSc1cc(ncc1Cl)Cl 62a_100000211926_100010172835 [0,2,0,0,0,0|2,0,0]=4 15906 B12R1.374 OCCSc1cc(ncc1Cl)Cl 62a_100010172835_100000211926 [0,2,0,0,0,0|2,0,0]=4 15907 B12R1.374 OCCSc1cc(ncc1Cl)F 62a_100000211926_100009892587 [0,2,0,0,0,0|2,0,0]=4 15908 B12R1.374 OCCSc1cc(ncc1Cl)F 62a_100009892587_100000211926 [0,2,0,0,0,0|2,0,0]=4 15909 B12R1.374 OCCSc1cc(ncc1F)Br 62a_100000211926_100010193852 [0,2,0,0,0,0|2,0,0]=4 15910 B12R1.374 OCCSc1cc(ncc1F)Br 62a_100010193852_100000211926 [0,2,0,0,0,0|2,0,0]=4 15911 B12R1.374 OCCSc1cc(ncc1F)Cl 62a_100000211926_100000708277 [0,2,0,0,0,0|2,0,0]=4 15912 B12R1.374 OCCSc1cc(ncc1F)Cl 62a_100000708277_100000211926 [0,2,0,0,0,0|2,0,0]=4 15913 B12R1.374 OCCSc1cc(ncc1F)F 62a_100000211926_100010233071 [0,2,0,0,0,0|2,0,0]=4 15914 B12R1.374 OCCSc1cc(ncc1F)F 62a_100010233071_100000211926 [0,2,0,0,0,0|2,0,0]=4 15915 B12R1.374 OCCSc1cc(ncc1O)Cl 62a_100000211926_100000698892 [0,2,0,0,0,0|2,0,0]=4 15916 B12R1.374 OCCSc1cc(ncc1O)Cl 62a_100000698892_100000211926 [0,2,0,0,0,0|2,0,0]=4 15917 B12R1.374 OCCSc1nc(ccc1F)Cl 62a_100000211926_100010136221 [0,2,0,0,0,0|2,0,0]=4 15918 B12R1.374 OCCSc1nc(ccc1F)Cl 62a_100010136221_100000211926 [0,2,0,0,0,0|2,0,0]=4 15919 B12R1.374 OCCSc1nc(ccc1F)F 62a_100000211926_100010997973 [0,2,0,0,0,0|2,0,0]=4 15920 B12R1.374 OCCSc1nc(ccc1F)F 62a_100010997973_100000211926 [0,2,0,0,0,0|2,0,0]=4 15921 B12R1.374 OCCSc1nc(ccc1O)Br 62a_100000211926_100010253912 [0,2,0,0,0,0|2,0,0]=4 15922 B12R1.374 OCCSc1nc(ccc1O)Br 62a_100010253912_100000211926 [0,2,0,0,0,0|2,0,0]=4 15923 B12R1.374 OCCSc1nc(ccc1O)Cl 62a_100000211926_100000696390 [0,2,0,0,0,0|2,0,0]=4 15924 B12R1.374 OCCSc1nc(ccc1O)F 62a_100000211926_100010382442 [0,2,0,0,0,0|2,0,0]=4 15925 B12R1.374 OCCSc1nc(ccc1O)F 62a_100010382442_100000211926 [0,2,0,0,0,0|2,0,0]=4 15926 B12R1.374 Oc1ccc(c(c1)NCCF)Br 34a_100011999798_100011217306 [0,2,0,0,0,0|2,0,0]=4 15927 B12R1.374 Oc1ccc(c(c1)NCCF)Cl 34a_100011934297_100011217306 [0,2,0,0,0,0|2,0,0]=4 15928 B12R1.374 Oc1ccc(c(c1)NCCF)F 34a_100012017239_100011217306 [0,2,0,0,0,0|2,0,0]=4 15929 B12R1.374 Oc1ccc(c(c1)SCCF)Br 62a_100011217306_100012339312 [0,2,0,0,0,0|2,0,0]=4 15930 B12R1.374 Oc1ccc(c(c1)SCCF)Br 62a_100012339312_100011217306 [0,2,0,0,0,0|2,0,0]=4 15931 B12R1.374 Oc1ccc(c(c1)SCCF)Cl 62a_100000049588_100011217306 [0,2,0,0,0,0|2,0,0]=4 15932 B12R1.374 Oc1ccc(c(c1)SCCF)Cl 62a_100011217306_100000049588 [0,2,0,0,0,0|2,0,0]=4 15933 B12R1.374 Oc1ccc(c(c1)SCCF)F 62a_100000693481_100011217306 [0,2,0,0,0,0|2,0,0]=4 15934 B12R1.374 Oc1ccc(c(c1)SCCF)F 62a_100011217306_100000693481 [0,2,0,0,0,0|2,0,0]=4 15935 B12R1.374 Oc1ccc(c(c1)SCCF)O 62a_100011217306_100009813629 [0,2,0,0,0,0|2,0,0]=4 15936 B12R1.374 Oc1ccc(cc1CNCF)Br 34a_100000730032_100015361967 [0,2,0,0,0,0|2,0,0]=4 15937 B12R1.374 Oc1ccc(cc1CNCF)Cl 34a_100000238540_100015361967 [0,2,0,0,0,0|2,0,0]=4 15938 B12R1.374 Oc1ccc(cc1CSCF)F 62a_100010161318_100015361967 [0,2,0,0,0,0|2,0,0]=4 15939 B12R1.374 Oc1ccc(cc1CSCF)F 62a_100015361967_100010161318 [0,2,0,0,0,0|2,0,0]=4 15940 B12R1.374 Oc1ccc(cc1NCCF)Br 34a_100000752626_100011217306 [0,2,0,0,0,0|2,0,0]=4 15941 B12R1.374 Oc1ccc(cc1NCCF)Cl 34a_100000210500_100011217306 [0,2,0,0,0,0|2,0,0]=4 15942 B12R1.374 Oc1ccc(cc1NCCF)F 34a_100000759472_100011217306 [0,2,0,0,0,0|2,0,0]=4 15943 B12R1.374 Oc1ccc(cc1SCCF)Br 62a_100011217306_100012355227 [0,2,0,0,0,0|2,0,0]=4 15944 B12R1.374 Oc1ccc(cc1SCCF)Br 62a_100012355227_100011217306 [0,2,0,0,0,0|2,0,0]=4 15945 B12R1.374 Oc1ccc(cc1SCCF)Cl 62a_100011217306_100011356953 [0,2,0,0,0,0|2,0,0]=4 15946 B12R1.374 Oc1ccc(cc1SCCF)Cl 62a_100011356953_100011217306 [0,2,0,0,0,0|2,0,0]=4 15947 B12R1.374 Oc1ccc(cc1SCCF)F 62a_100000211999_100011217306 [0,2,0,0,0,0|2,0,0]=4 15948 B12R1.374 Oc1ccc(cc1SCCF)F 62a_100011217306_100000211999 [0,2,0,0,0,0|2,0,0]=4 15949 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 2230a_100000705354_200025704644 [0,2,0,0,0,0|2,0,0]=4 15950 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 34a_100000705354_200025704644 [0,2,0,0,0,0|2,0,0]=4 15951 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 2230a_200011997525_200025704644 [0,2,0,0,0,0|2,0,0]=4 15952 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 34a_200011997525_200025704644 [0,2,0,0,0,0|2,0,0]=4 15953 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 34a_100012426913_200025704644 [0,2,0,0,0,0|2,0,0]=4 15954 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 7a_100012426913_200025704644 [0,2,0,0,0,0|2,0,0]=4 15955 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 34a_100011754359_200025704644 [0,2,0,0,0,0|2,0,0]=4 15956 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 7a_100011754359_200025704644 [0,2,0,0,0,0|2,0,0]=4 15957 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 34a_100011755048_200025704644 [0,2,0,0,0,0|2,0,0]=4 15958 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 7a_100011755048_200025704644 [0,2,0,0,0,0|2,0,0]=4 15959 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_100011755056_200025704644 [0,2,0,0,0,0|2,0,0]=4 15960 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_200025704644_100011755056 [0,2,0,0,0,0|2,0,0]=4 15961 B12R1.1631 CCCCc1c(ccc[n+]1[O-])C 271570a_100020621405_100116209805 [0,2,0,0,0,0|2,0,0]=4 15962 B12R1.1631 CCCCc1c(cccc1Br)Br 271570a_100020621405_100009994525 [0,2,0,0,0,0|1,0,0]=3 15963 B12R1.1631 CCCCc1c(cccc1Br)Cl 271570a_100020621405_100010214488 [0,2,0,0,0,0|1,0,0]=3 15964 B12R1.1631 CCCCc1c(cccc1Br)F 271570a_100020621405_100011219512 [0,2,0,0,0,0|1,0,0]=3 15965 B12R1.1631 CCCCc1c(cccc1Br)N 271570a_100020621405_100020590159 [0,2,0,0,0,0|1,0,0]=3 15966 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,2,0,0,0,0|1,0,0]=3 15967 B12R1.1631 CCCCc1c(cccc1C)C 271570a_100020621405_100000033847 [0,2,0,0,0,0|1,0,0]=3 15968 B12R1.1631 CCCCc1c(cccc1Cl)C 271570a_100020621405_100000043165 [0,2,0,0,0,0|1,0,0]=3 15969 B12R1.1631 CCCCc1c(cccc1Cl)Cl 271570a_100020621405_100000034237 [0,2,0,0,0,0|1,0,0]=3 15970 B12R1.1631 CCCCc1c(cccc1Cl)F 271570a_100020621405_100000050007 [0,2,0,0,0,0|1,0,0]=3 15971 B12R1.1631 CCCCc1c(cccc1Cl)N 271570a_100020621405_100000049713 [0,2,0,0,0,0|1,0,0]=3 15972 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,2,0,0,0,0|1,0,0]=3 15973 B12R1.1631 CCCCc1c(cccc1F)C 271570a_100020621405_100012349962 [0,2,0,0,0,0|1,0,0]=3 15974 B12R1.1631 CCCCc1c(cccc1F)F 271570a_100020621405_100000693133 [0,2,0,0,0,0|1,0,0]=3 15975 B12R1.1631 CCCCc1c(cccc1F)N 271570a_100020621405_100011934729 [0,2,0,0,0,0|1,0,0]=3 15976 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,2,0,0,0,0|1,0,0]=3 15977 B12R1.1631 CCCCc1c(cccc1N)C 271570a_100020621405_100000684715 [0,2,0,0,0,0|1,0,0]=3 15978 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,2,0,0,0,0|1,0,0]=3 15979 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,2,0,0,0,0|1,0,0]=3 15980 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,2,0,0,0,0|1,0,0]=3 15981 B12R1.1631 CCCCc1c(ccnc1C)C 271570a_100020621405_100012000501 [0,2,0,0,0,0|2,0,0]=4 15982 B12R1.1631 CCCCc1c(ccnc1C)N 271570a_100020621405_100010243816 [0,2,0,0,0,0|2,0,0]=4 15983 B12R1.1631 CCCCc1c(ccnc1F)C 271570a_100020621405_100009818256 [0,2,0,0,0,0|2,0,0]=4 15984 B12R1.1631 CCCCc1c(ccnc1F)F 271570a_100020621405_100009874084 [0,2,0,0,0,0|2,0,0]=4 15985 B12R1.1631 CCCCc1c(ccnc1F)N 271570a_100020621405_100010381272 [0,2,0,0,0,0|2,0,0]=4 15986 B12R1.1631 CCCCc1c(ccnc1N)C 271570a_100020621405_100011998619 [0,2,0,0,0,0|2,0,0]=4 15987 B12R1.1631 CCCCc1c(ccnc1N)Cl 271570a_100020621405_100010199028 [0,2,0,0,0,0|2,0,0]=4 15988 B12R1.1631 CCCCc1c(ccnc1O)C 271570a_100020621405_100012000493 [0,2,0,0,0,0|2,0,0]=4 15989 B12R1.1631 CCCCc1c(ccnc1O)O 271570a_100020621405_200009817435 [0,2,0,0,0,0|2,0,0]=4 15990 B12R1.1631 CCCCc1c(cncc1Br)Br 271570a_100020621405_100010172828 [0,2,0,0,0,0|2,0,0]=4 15991 B12R1.1631 CCCCc1c(cncc1C)C 271570a_100020621405_100009817138 [0,2,0,0,0,0|2,0,0]=4 15992 B12R1.1631 CCCCc1c(cncc1Cl)Cl 271570a_100020621405_100000036193 [0,2,0,0,0,0|2,0,0]=4 15993 B12R1.1631 CCCCc1c(cncc1F)F 271570a_100020621405_100000760538 [0,2,0,0,0,0|2,0,0]=4 15994 B12R1.1631 CCCNc1c(cccc1Br)Br 34a_100000690995_100000210303 [0,2,0,0,0,0|2,0,0]=4 15995 B12R1.1631 CCCNc1c(cccc1Br)C 34a_100011834072_100000210303 [0,2,0,0,0,0|2,0,0]=4 15996 B12R1.1631 CCCNc1c(cccc1Br)Cl 34a_100102946385_100000210303 [0,2,0,0,0,0|2,0,0]=4 15997 B12R1.1631 CCCNc1c(cccc1Br)F 34a_100000684712_100000210303 [0,2,0,0,0,0|2,0,0]=4 15998 B12R1.1631 CCCNc1c(cccc1Br)O 34a_100011934926_100000210303 [0,2,0,0,0,0|2,0,0]=4 15999 B12R1.1631 CCCNc1c(cccc1C)C 34a_100000185769_100000210303 [0,2,0,0,0,0|2,0,0]=4 16000 B12R1.1631 CCCNc1c(cccc1Cl)C 34a_100000756524_100000210303 [0,2,0,0,0,0|2,0,0]=4 16001 B12R1.1631 CCCNc1c(cccc1Cl)Cl 34a_100000210028_100000210303 [0,2,0,0,0,0|2,0,0]=4 16002 B12R1.1631 CCCNc1c(cccc1Cl)F 34a_100000760031_100000210303 [0,2,0,0,0,0|2,0,0]=4 16003 B12R1.1631 CCCNc1c(cccc1Cl)O 34a_100012022510_100000210303 [0,2,0,0,0,0|2,0,0]=4 16004 B12R1.1631 CCCNc1c(cccc1F)C 34a_100000766463_100000210303 [0,2,0,0,0,0|2,0,0]=4 16005 B12R1.1631 CCCNc1c(cccc1F)F 2230a_100000210704_100000210303 [0,2,0,0,0,0|2,0,0]=4 16006 B12R1.1631 CCCNc1c(cccc1F)F 34a_100000210704_100000210303 [0,2,0,0,0,0|2,0,0]=4 16007 B12R1.1631 CCCNc1c(cccc1F)O 34a_100020591140_100000210303 [0,2,0,0,0,0|2,0,0]=4 16008 B12R1.1631 CCCNc1c(cccc1I)F 34a_100000042321_100000210303 [0,2,0,0,0,0|2,0,0]=4 16009 B12R1.1631 CCCNc1c(cccc1O)C 34a_100000743429_100000210303 [0,2,0,0,0,0|2,0,0]=4 16010 B12R1.1631 CCCOc1c(cccc1Br)Br 34a_100000736428_100000210303 [0,2,0,0,0,0|2,0,0]=4 16011 B12R1.1631 CCCOc1c(cccc1Br)Br 7a_100000736428_100000210303 [0,2,0,0,0,0|2,0,0]=4 16012 B12R1.1631 CCCOc1c(cccc1Br)C 34a_100009817157_100000210303 [0,2,0,0,0,0|2,0,0]=4 16013 B12R1.1631 CCCOc1c(cccc1Br)C 7a_100009817157_100000210303 [0,2,0,0,0,0|2,0,0]=4 16014 B12R1.1631 CCCOc1c(cccc1Br)Cl 34a_100010214474_100000210303 [0,2,0,0,0,0|2,0,0]=4 16015 B12R1.1631 CCCOc1c(cccc1Br)Cl 7a_100010214474_100000210303 [0,2,0,0,0,0|2,0,0]=4 16016 B12R1.1631 CCCOc1c(cccc1Br)F 34a_100009813666_100000210303 [0,2,0,0,0,0|2,0,0]=4 16017 B12R1.1631 CCCOc1c(cccc1Br)F 7a_100009813666_100000210303 [0,2,0,0,0,0|2,0,0]=4 16018 B12R1.1631 CCCOc1c(cccc1Br)N 34a_100011934915_100000210303 [0,2,0,0,0,0|2,0,0]=4 16019 B12R1.1631 CCCOc1c(cccc1C)C 34a_100000210341_100000210303 [0,2,0,0,0,0|2,0,0]=4 16020 B12R1.1631 CCCOc1c(cccc1C)C 7a_100000210341_100000210303 [0,2,0,0,0,0|2,0,0]=4 16021 B12R1.1631 CCCOc1c(cccc1Cl)C 34a_100000033731_100000210303 [0,2,0,0,0,0|2,0,0]=4 16022 B12R1.1631 CCCOc1c(cccc1Cl)C 7a_100000033731_100000210303 [0,2,0,0,0,0|2,0,0]=4 16023 B12R1.1631 CCCOc1c(cccc1Cl)Cl 34a_100000211709_100000210303 [0,2,0,0,0,0|2,0,0]=4 16024 B12R1.1631 CCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210303 [0,2,0,0,0,0|2,0,0]=4 16025 B12R1.1631 CCCOc1c(cccc1Cl)F 34a_100000694953_100000210303 [0,2,0,0,0,0|2,0,0]=4 16026 B12R1.1631 CCCOc1c(cccc1Cl)F 7a_100000694953_100000210303 [0,2,0,0,0,0|2,0,0]=4 16027 B12R1.1631 CCCOc1c(cccc1Cl)N 34a_100000754742_100000210303 [0,2,0,0,0,0|2,0,0]=4 16028 B12R1.1631 CCCOc1c(cccc1F)C 34a_100011659162_100000210303 [0,2,0,0,0,0|2,0,0]=4 16029 B12R1.1631 CCCOc1c(cccc1F)C 7a_100011659162_100000210303 [0,2,0,0,0,0|2,0,0]=4 16030 B12R1.1631 CCCOc1c(cccc1F)F 34a_100000230165_100000210303 [0,2,0,0,0,0|2,0,0]=4 16031 B12R1.1631 CCCOc1c(cccc1F)F 7a_100000230165_100000210303 [0,2,0,0,0,0|2,0,0]=4 16032 B12R1.1631 CCCOc1c(cccc1F)N 34a_100011934987_100000210303 [0,2,0,0,0,0|2,0,0]=4 16033 B12R1.1631 CCCOc1c(cccc1I)Br 34a_100010084509_100000210303 [0,2,0,0,0,0|2,0,0]=4 16034 B12R1.1631 CCCOc1c(cccc1I)Br 7a_100010084509_100000210303 [0,2,0,0,0,0|2,0,0]=4 16035 B12R1.1631 CCCOc1c(cccc1I)Cl 34a_100010202889_100000210303 [0,2,0,0,0,0|2,0,0]=4 16036 B12R1.1631 CCCOc1c(cccc1I)Cl 7a_100010202889_100000210303 [0,2,0,0,0,0|2,0,0]=4 16037 B12R1.1631 CCCOc1c(cccc1I)F 34a_100010186298_100000210303 [0,2,0,0,0,0|2,0,0]=4 16038 B12R1.1631 CCCOc1c(cccc1I)F 7a_100010186298_100000210303 [0,2,0,0,0,0|2,0,0]=4 16039 B12R1.1631 CCCOc1c(cccc1I)N 34a_100010084371_100000210303 [0,2,0,0,0,0|2,0,0]=4 16040 B12R1.1631 CCCOc1c(cccc1N)C 34a_100000756359_100000210303 [0,2,0,0,0,0|2,0,0]=4 16041 B12R1.1631 CCCOc1c(cccc1N)C 7a_100000756359_100000210303 [0,2,0,0,0,0|2,0,0]=4 16042 B12R1.1631 CCCOc1c(cccc1N)N 34a_200016994477_100000210303 [0,2,0,0,0,0|2,0,0]=4 16043 B12R1.1631 CCCSc1c(cccc1Br)Br 62a_100000210303_100009994525 [0,2,0,0,0,0|2,0,0]=4 16044 B12R1.1631 CCCSc1c(cccc1Br)Br 62a_100009994525_100000210303 [0,2,0,0,0,0|2,0,0]=4 16045 B12R1.1631 CCCSc1c(cccc1Br)C 62a_100000210303_100010141302 [0,2,0,0,0,0|2,0,0]=4 16046 B12R1.1631 CCCSc1c(cccc1Br)C 62a_100010141302_100000210303 [0,2,0,0,0,0|2,0,0]=4 16047 B12R1.1631 CCCSc1c(cccc1Br)Cl 62a_100000210303_100010214488 [0,2,0,0,0,0|2,0,0]=4 16048 B12R1.1631 CCCSc1c(cccc1Br)Cl 62a_100010214488_100000210303 [0,2,0,0,0,0|2,0,0]=4 16049 B12R1.1631 CCCSc1c(cccc1Br)F 62a_100000210303_100011219512 [0,2,0,0,0,0|2,0,0]=4 16050 B12R1.1631 CCCSc1c(cccc1Br)F 62a_100011219512_100000210303 [0,2,0,0,0,0|2,0,0]=4 16051 B12R1.1631 CCCSc1c(cccc1Br)N 62a_100000210303_100020590159 [0,2,0,0,0,0|2,0,0]=4 16052 B12R1.1631 CCCSc1c(cccc1Br)N 62a_100020590159_100000210303 [0,2,0,0,0,0|2,0,0]=4 16053 B12R1.1631 CCCSc1c(cccc1Br)O 62a_100000210303_100010187912 [0,2,0,0,0,0|2,0,0]=4 16054 B12R1.1631 CCCSc1c(cccc1Br)O 62a_100010187912_100000210303 [0,2,0,0,0,0|2,0,0]=4 16055 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000033847_100000210303 [0,2,0,0,0,0|2,0,0]=4 16056 B12R1.1631 CCCSc1c(cccc1C)C 62a_100000210303_100000033847 [0,2,0,0,0,0|2,0,0]=4 16057 B12R1.1631 CCCSc1c(cccc1Cl)C 62a_100000043165_100000210303 [0,2,0,0,0,0|2,0,0]=4 16058 B12R1.1631 CCCSc1c(cccc1Cl)C 62a_100000210303_100000043165 [0,2,0,0,0,0|2,0,0]=4 16059 B12R1.1631 CCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210303 [0,2,0,0,0,0|2,0,0]=4 16060 B12R1.1631 CCCSc1c(cccc1Cl)Cl 62a_100000210303_100000034237 [0,2,0,0,0,0|2,0,0]=4 16061 B12R1.1631 CCCSc1c(cccc1Cl)F 62a_100000050007_100000210303 [0,2,0,0,0,0|2,0,0]=4 16062 B12R1.1631 CCCSc1c(cccc1Cl)F 62a_100000210303_100000050007 [0,2,0,0,0,0|2,0,0]=4 16063 B12R1.1631 CCCSc1c(cccc1Cl)N 62a_100000049713_100000210303 [0,2,0,0,0,0|2,0,0]=4 16064 B12R1.1631 CCCSc1c(cccc1Cl)N 62a_100000210303_100000049713 [0,2,0,0,0,0|2,0,0]=4 16065 B12R1.1631 CCCSc1c(cccc1Cl)O 62a_100000210303_100000050174 [0,2,0,0,0,0|2,0,0]=4 16066 B12R1.1631 CCCSc1c(cccc1F)C 62a_100000210303_100011218421 [0,2,0,0,0,0|2,0,0]=4 16067 B12R1.1631 CCCSc1c(cccc1F)C 62a_100011218421_100000210303 [0,2,0,0,0,0|2,0,0]=4 16068 B12R1.1631 CCCSc1c(cccc1F)F 62a_100000210303_100000693133 [0,2,0,0,0,0|2,0,0]=4 16069 B12R1.1631 CCCSc1c(cccc1F)F 62a_100000693133_100000210303 [0,2,0,0,0,0|2,0,0]=4 16070 B12R1.1631 CCCSc1c(cccc1F)N 62a_100000210303_100000690935 [0,2,0,0,0,0|2,0,0]=4 16071 B12R1.1631 CCCSc1c(cccc1F)N 62a_100000690935_100000210303 [0,2,0,0,0,0|2,0,0]=4 16072 B12R1.1631 CCCSc1c(cccc1F)O 62a_100000210303_100009820682 [0,2,0,0,0,0|2,0,0]=4 16073 B12R1.1631 CCCSc1c(cccc1F)O 62a_100009820682_100000210303 [0,2,0,0,0,0|2,0,0]=4 16074 B12R1.1631 CCCSc1c(cccc1N)C 62a_100000210303_100000684715 [0,2,0,0,0,0|2,0,0]=4 16075 B12R1.1631 CCCSc1c(cccc1N)C 62a_100000684715_100000210303 [0,2,0,0,0,0|2,0,0]=4 16076 B12R1.1631 CCCSc1c(cccc1O)C 62a_100000210303_100000686692 [0,2,0,0,0,0|2,0,0]=4 16077 B12R1.1631 CCCSc1c(cccc1O)C 62a_100000686692_100000210303 [0,2,0,0,0,0|2,0,0]=4 16078 B12R1.1631 CCCSc1c(cccc1O)N 62a_100000210303_100012183704 [0,2,0,0,0,0|2,0,0]=4 16079 B12R1.1631 CCCSc1c(cccc1O)N 62a_100012183704_100000210303 [0,2,0,0,0,0|2,0,0]=4 16080 B12R1.1631 CCCSc1c(cccc1O)O 62a_100000210303_100010205330 [0,2,0,0,0,0|2,0,0]=4 16081 B12R1.1631 CCNCc1c(cccc1Br)Br 207a_100015525214_100010233043 [0,2,0,0,0,0|2,0,0]=4 16082 B12R1.1631 CCNCc1c(cccc1Br)Br 270004a_100015525214_100010233043 [0,2,0,0,0,0|2,0,0]=4 16083 B12R1.1631 CCNCc1c(cccc1Br)C 207a_100015525214_100009881667 [0,2,0,0,0,0|2,0,0]=4 16084 B12R1.1631 CCNCc1c(cccc1Br)C 2230a_100015525214_100010146847 [0,2,0,0,0,0|2,0,0]=4 16085 B12R1.1631 CCNCc1c(cccc1Br)C 270004a_100015525214_100009881667 [0,2,0,0,0,0|2,0,0]=4 16086 B12R1.1631 CCNCc1c(cccc1Br)Cl 207a_100015525214_100011249081 [0,2,0,0,0,0|2,0,0]=4 16087 B12R1.1631 CCNCc1c(cccc1Br)Cl 2230a_100015525214_100010138402 [0,2,0,0,0,0|2,0,0]=4 16088 B12R1.1631 CCNCc1c(cccc1Br)Cl 270004a_100015525214_100011249081 [0,2,0,0,0,0|2,0,0]=4 16089 B12R1.1631 CCNCc1c(cccc1Br)F 207a_100015525214_100000752695 [0,2,0,0,0,0|2,0,0]=4 16090 B12R1.1631 CCNCc1c(cccc1Br)F 2230a_100015525214_100012145669 [0,2,0,0,0,0|2,0,0]=4 16091 B12R1.1631 CCNCc1c(cccc1Br)F 270004a_100015525214_100000752695 [0,2,0,0,0,0|2,0,0]=4 16092 B12R1.1631 CCNCc1c(cccc1Br)F 34a_100012349121_100000210202 [0,2,0,0,0,0|2,0,0]=4 16093 B12R1.1631 CCNCc1c(cccc1C)C 207a_100015525214_100000758299 [0,2,0,0,0,0|2,0,0]=4 16094 B12R1.1631 CCNCc1c(cccc1C)C 2230a_100015525214_100000758300 [0,2,0,0,0,0|2,0,0]=4 16095 B12R1.1631 CCNCc1c(cccc1C)C 270004a_100015525214_100000758299 [0,2,0,0,0,0|2,0,0]=4 16096 B12R1.1631 CCNCc1c(cccc1C)C 34a_100000689800_100000210202 [0,2,0,0,0,0|2,0,0]=4 16097 B12R1.1631 CCNCc1c(cccc1Cl)C 207a_100015525214_100000041122 [0,2,0,0,0,0|2,0,0]=4 16098 B12R1.1631 CCNCc1c(cccc1Cl)C 270004a_100015525214_100000041122 [0,2,0,0,0,0|2,0,0]=4 16099 B12R1.1631 CCNCc1c(cccc1Cl)Cl 207a_100015525214_100000189306 [0,2,0,0,0,0|2,0,0]=4 16100 B12R1.1631 CCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210202 [0,2,0,0,0,0|2,0,0]=4 16101 B12R1.1631 CCNCc1c(cccc1Cl)Cl 2230a_100015525214_100000187851 [0,2,0,0,0,0|2,0,0]=4 16102 B12R1.1631 CCNCc1c(cccc1Cl)Cl 270004a_100015525214_100000189306 [0,2,0,0,0,0|2,0,0]=4 16103 B12R1.1631 CCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210202 [0,2,0,0,0,0|2,0,0]=4 16104 B12R1.1631 CCNCc1c(cccc1Cl)F 207a_100015525214_100000210083 [0,2,0,0,0,0|2,0,0]=4 16105 B12R1.1631 CCNCc1c(cccc1Cl)F 2230a_100015525214_100000187852 [0,2,0,0,0,0|2,0,0]=4 16106 B12R1.1631 CCNCc1c(cccc1Cl)F 270004a_100015525214_100000210083 [0,2,0,0,0,0|2,0,0]=4 16107 B12R1.1631 CCNCc1c(cccc1Cl)F 34a_100000174883_100000210202 [0,2,0,0,0,0|2,0,0]=4 16108 B12R1.1631 CCNCc1c(cccc1F)C 207a_100015525214_100000069827 [0,2,0,0,0,0|2,0,0]=4 16109 B12R1.1631 CCNCc1c(cccc1F)C 2230a_100015525214_100009814554 [0,2,0,0,0,0|2,0,0]=4 16110 B12R1.1631 CCNCc1c(cccc1F)C 270004a_100015525214_100000069827 [0,2,0,0,0,0|2,0,0]=4 16111 B12R1.1631 CCNCc1c(cccc1F)C 34a_100000762012_100000210202 [0,2,0,0,0,0|2,0,0]=4 16112 B12R1.1631 CCNCc1c(cccc1F)F 207a_100015525214_100000211061 [0,2,0,0,0,0|2,0,0]=4 16113 B12R1.1631 CCNCc1c(cccc1F)F 2230a_100015525214_100000698325 [0,2,0,0,0,0|2,0,0]=4 16114 B12R1.1631 CCNCc1c(cccc1F)F 270004a_100015525214_100000211061 [0,2,0,0,0,0|2,0,0]=4 16115 B12R1.1631 CCNCc1c(cccc1F)F 34a_100000688400_100000210202 [0,2,0,0,0,0|2,0,0]=4 16116 B12R1.1631 CCNCc1c(cccc1I)Br 2230a_100015525214_100010146611 [0,2,0,0,0,0|2,0,0]=4 16117 B12R1.1631 CCNCc1c(cccc1I)C 2230a_100015525214_100010150146 [0,2,0,0,0,0|2,0,0]=4 16118 B12R1.1631 CCNCc1c(cccc1I)Cl 207a_100015525214_100010147682 [0,2,0,0,0,0|2,0,0]=4 16119 B12R1.1631 CCNCc1c(cccc1I)Cl 270004a_100015525214_100010147682 [0,2,0,0,0,0|2,0,0]=4 16120 B12R1.1631 CCNCc1c(cccc1I)F 207a_100015525214_100010178011 [0,2,0,0,0,0|2,0,0]=4 16121 B12R1.1631 CCNCc1c(cccc1I)F 2230a_100015525214_100010149602 [0,2,0,0,0,0|2,0,0]=4 16122 B12R1.1631 CCNCc1c(cccc1I)F 270004a_100015525214_100010178011 [0,2,0,0,0,0|2,0,0]=4 16123 B12R1.1631 CCOCc1c(cccc1Br)Br 34a_100010172814_100000210202 [0,2,0,0,0,0|2,0,0]=4 16124 B12R1.1631 CCOCc1c(cccc1Br)Br 7a_100010172814_100000210202 [0,2,0,0,0,0|2,0,0]=4 16125 B12R1.1631 CCOCc1c(cccc1Br)C 34a_100121572206_100010146847 [0,2,0,0,0,0|2,0,0]=4 16126 B12R1.1631 CCOCc1c(cccc1Br)Cl 34a_100121572206_100010138402 [0,2,0,0,0,0|2,0,0]=4 16127 B12R1.1631 CCOCc1c(cccc1Br)F 34a_100012355691_100000210202 [0,2,0,0,0,0|2,0,0]=4 16128 B12R1.1631 CCOCc1c(cccc1Br)F 34a_100121572206_100012145669 [0,2,0,0,0,0|2,0,0]=4 16129 B12R1.1631 CCOCc1c(cccc1Br)F 7a_100012355691_100000210202 [0,2,0,0,0,0|2,0,0]=4 16130 B12R1.1631 CCOCc1c(cccc1Br)N 34a_100000747656_100000210202 [0,2,0,0,0,0|2,0,0]=4 16131 B12R1.1631 CCOCc1c(cccc1C)C 34a_100011933981_100000210202 [0,2,0,0,0,0|2,0,0]=4 16132 B12R1.1631 CCOCc1c(cccc1C)C 34a_100121572206_100000758300 [0,2,0,0,0,0|2,0,0]=4 16133 B12R1.1631 CCOCc1c(cccc1C)C 7a_100011933981_100000210202 [0,2,0,0,0,0|2,0,0]=4 16134 B12R1.1631 CCOCc1c(cccc1Cl)C 34a_100000082531_100000210202 [0,2,0,0,0,0|2,0,0]=4 16135 B12R1.1631 CCOCc1c(cccc1Cl)C 7a_100000082531_100000210202 [0,2,0,0,0,0|2,0,0]=4 16136 B12R1.1631 CCOCc1c(cccc1Cl)Cl 34a_100000215722_100000210202 [0,2,0,0,0,0|2,0,0]=4 16137 B12R1.1631 CCOCc1c(cccc1Cl)Cl 34a_100121572206_100000187851 [0,2,0,0,0,0|2,0,0]=4 16138 B12R1.1631 CCOCc1c(cccc1Cl)Cl 7a_100000215722_100000210202 [0,2,0,0,0,0|2,0,0]=4 16139 B12R1.1631 CCOCc1c(cccc1Cl)F 34a_100000215723_100000210202 [0,2,0,0,0,0|2,0,0]=4 16140 B12R1.1631 CCOCc1c(cccc1Cl)F 34a_100121572206_100000187852 [0,2,0,0,0,0|2,0,0]=4 16141 B12R1.1631 CCOCc1c(cccc1Cl)F 7a_100000215723_100000210202 [0,2,0,0,0,0|2,0,0]=4 16142 B12R1.1631 CCOCc1c(cccc1Cl)N 34a_100011916388_100000210202 [0,2,0,0,0,0|2,0,0]=4 16143 B12R1.1631 CCOCc1c(cccc1F)C 34a_100000057874_100000210202 [0,2,0,0,0,0|2,0,0]=4 16144 B12R1.1631 CCOCc1c(cccc1F)C 34a_100121572206_100009814554 [0,2,0,0,0,0|2,0,0]=4 16145 B12R1.1631 CCOCc1c(cccc1F)C 7a_100000057874_100000210202 [0,2,0,0,0,0|2,0,0]=4 16146 B12R1.1631 CCOCc1c(cccc1F)F 34a_100000698215_100000210202 [0,2,0,0,0,0|2,0,0]=4 16147 B12R1.1631 CCOCc1c(cccc1F)F 34a_100121572206_100000698325 [0,2,0,0,0,0|2,0,0]=4 16148 B12R1.1631 CCOCc1c(cccc1F)F 7a_100000698215_100000210202 [0,2,0,0,0,0|2,0,0]=4 16149 B12R1.1631 CCOCc1c(cccc1F)N 34a_100011846719_100000210202 [0,2,0,0,0,0|2,0,0]=4 16150 B12R1.1631 CCOCc1c(cccc1I)Br 34a_100121572206_100010146611 [0,2,0,0,0,0|2,0,0]=4 16151 B12R1.1631 CCOCc1c(cccc1I)C 34a_100121572206_100010150146 [0,2,0,0,0,0|2,0,0]=4 16152 B12R1.1631 CCOCc1c(cccc1I)F 34a_100010214973_100000210202 [0,2,0,0,0,0|2,0,0]=4 16153 B12R1.1631 CCOCc1c(cccc1I)F 34a_100121572206_100010149602 [0,2,0,0,0,0|2,0,0]=4 16154 B12R1.1631 CCOCc1c(cccc1I)F 7a_100010214973_100000210202 [0,2,0,0,0,0|2,0,0]=4 16155 B12R1.1631 CCSCc1c(cccc1Br)C 62a_100000210202_100010146847 [0,2,0,0,0,0|2,0,0]=4 16156 B12R1.1631 CCSCc1c(cccc1Br)C 62a_100010146847_100000210202 [0,2,0,0,0,0|2,0,0]=4 16157 B12R1.1631 CCSCc1c(cccc1Br)Cl 62a_100000210202_100010138402 [0,2,0,0,0,0|2,0,0]=4 16158 B12R1.1631 CCSCc1c(cccc1Br)Cl 62a_100010138402_100000210202 [0,2,0,0,0,0|2,0,0]=4 16159 B12R1.1631 CCSCc1c(cccc1Br)F 62a_100000210202_100012145669 [0,2,0,0,0,0|2,0,0]=4 16160 B12R1.1631 CCSCc1c(cccc1Br)F 62a_100012145669_100000210202 [0,2,0,0,0,0|2,0,0]=4 16161 B12R1.1631 CCSCc1c(cccc1C)C 62a_100000210202_100000758300 [0,2,0,0,0,0|2,0,0]=4 16162 B12R1.1631 CCSCc1c(cccc1C)C 62a_100000758300_100000210202 [0,2,0,0,0,0|2,0,0]=4 16163 B12R1.1631 CCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210202 [0,2,0,0,0,0|2,0,0]=4 16164 B12R1.1631 CCSCc1c(cccc1Cl)Cl 62a_100000210202_100000187851 [0,2,0,0,0,0|2,0,0]=4 16165 B12R1.1631 CCSCc1c(cccc1Cl)F 62a_100000187852_100000210202 [0,2,0,0,0,0|2,0,0]=4 16166 B12R1.1631 CCSCc1c(cccc1Cl)F 62a_100000210202_100000187852 [0,2,0,0,0,0|2,0,0]=4 16167 B12R1.1631 CCSCc1c(cccc1F)C 62a_100000210202_100009814554 [0,2,0,0,0,0|2,0,0]=4 16168 B12R1.1631 CCSCc1c(cccc1F)C 62a_100009814554_100000210202 [0,2,0,0,0,0|2,0,0]=4 16169 B12R1.1631 CCSCc1c(cccc1F)F 62a_100000210202_100000698325 [0,2,0,0,0,0|2,0,0]=4 16170 B12R1.1631 CCSCc1c(cccc1F)F 62a_100000709179_100000210202 [0,2,0,0,0,0|2,0,0]=4 16171 B12R1.1631 CCSCc1c(cccc1I)Br 62a_100000210202_100010146611 [0,2,0,0,0,0|2,0,0]=4 16172 B12R1.1631 CCSCc1c(cccc1I)Br 62a_100010146611_100000210202 [0,2,0,0,0,0|2,0,0]=4 16173 B12R1.1631 CCSCc1c(cccc1I)C 62a_100000210202_100010150146 [0,2,0,0,0,0|2,0,0]=4 16174 B12R1.1631 CCSCc1c(cccc1I)C 62a_100010150146_100000210202 [0,2,0,0,0,0|2,0,0]=4 16175 B12R1.1631 CCSCc1c(cccc1I)F 62a_100000210202_100010149602 [0,2,0,0,0,0|2,0,0]=4 16176 B12R1.1631 CCSCc1c(cccc1I)F 62a_100010149602_100000210202 [0,2,0,0,0,0|2,0,0]=4 16177 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_100032004868_200000210301 [0,2,0,0,0,0|2,0,0]=4 16178 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_106832991635_100012161200 [0,2,0,0,0,0|2,0,0]=4 16179 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100032004868_200000210301 [0,2,0,0,0,0|2,0,0]=4 16180 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100102657272_100012161200 [0,2,0,0,0,0|2,0,0]=4 16181 B12R1.1631 CNCCc1c(cccc1Cl)Cl 7a_106832991635_100012161200 [0,2,0,0,0,0|2,0,0]=4 16182 B12R1.1631 CNCCc1c(cccc1Cl)F 2230a_100000688150_200000210301 [0,2,0,0,0,0|2,0,0]=4 16183 B12R1.1631 CNCCc1c(cccc1Cl)F 34a_100000688150_200000210301 [0,2,0,0,0,0|2,0,0]=4 16184 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100011934077_200000210301 [0,2,0,0,0,0|2,0,0]=4 16185 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100138415774_100012161200 [0,2,0,0,0,0|2,0,0]=4 16186 B12R1.1631 COCCc1c(cccc1Cl)Cl 7a_100011934077_200000210301 [0,2,0,0,0,0|2,0,0]=4 16187 B12R1.1631 COCCc1c(cccc1Cl)F 34a_100011273940_200000210301 [0,2,0,0,0,0|2,0,0]=4 16188 B12R1.1631 COCCc1c(cccc1Cl)F 7a_100011273940_200000210301 [0,2,0,0,0,0|2,0,0]=4 16189 B12R1.1631 COCCc1c(cccc1F)F 34a_100011975733_200000210301 [0,2,0,0,0,0|2,0,0]=4 16190 B12R1.1631 COCCc1c(cccc1F)F 7a_100011975733_200000210301 [0,2,0,0,0,0|2,0,0]=4 16191 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_100012161200_200000210301 [0,2,0,0,0,0|2,0,0]=4 16192 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_200000210301_100012161200 [0,2,0,0,0,0|2,0,0]=4 16193 B12R1.1631 Cc1ccc[n+](c1SCCO)[O-] 62a_100000211926_100116209805 [0,2,0,0,0,0|2,0,0]=4 16194 B12R1.1631 Cc1cccc(c1CNCF)C 34a_100000689800_100015361967 [0,2,0,0,0,0|2,0,0]=4 16195 B12R1.1631 Cc1cccc(c1CNCF)F 34a_100000762012_100015361967 [0,2,0,0,0,0|2,0,0]=4 16196 B12R1.1631 Cc1cccc(c1COCF)C 34a_100011933981_100015361967 [0,2,0,0,0,0|2,0,0]=4 16197 B12R1.1631 Cc1cccc(c1COCF)C 7a_100011933981_100015361967 [0,2,0,0,0,0|2,0,0]=4 16198 B12R1.1631 Cc1cccc(c1COCF)Cl 34a_100000082531_100015361967 [0,2,0,0,0,0|2,0,0]=4 16199 B12R1.1631 Cc1cccc(c1COCF)Cl 7a_100000082531_100015361967 [0,2,0,0,0,0|2,0,0]=4 16200 B12R1.1631 Cc1cccc(c1COCF)F 34a_100000057874_100015361967 [0,2,0,0,0,0|2,0,0]=4 16201 B12R1.1631 Cc1cccc(c1COCF)F 7a_100000057874_100015361967 [0,2,0,0,0,0|2,0,0]=4 16202 B12R1.1631 Cc1cccc(c1CSCF)Br 62a_100010146847_100015361967 [0,2,0,0,0,0|2,0,0]=4 16203 B12R1.1631 Cc1cccc(c1CSCF)Br 62a_100015361967_100010146847 [0,2,0,0,0,0|2,0,0]=4 16204 B12R1.1631 Cc1cccc(c1CSCF)C 62a_100000758300_100015361967 [0,2,0,0,0,0|2,0,0]=4 16205 B12R1.1631 Cc1cccc(c1CSCF)C 62a_100015361967_100000758300 [0,2,0,0,0,0|2,0,0]=4 16206 B12R1.1631 Cc1cccc(c1CSCF)F 62a_100009814554_100015361967 [0,2,0,0,0,0|2,0,0]=4 16207 B12R1.1631 Cc1cccc(c1CSCF)F 62a_100015361967_100009814554 [0,2,0,0,0,0|2,0,0]=4 16208 B12R1.1631 Cc1cccc(c1CSCF)I 62a_100010150146_100015361967 [0,2,0,0,0,0|2,0,0]=4 16209 B12R1.1631 Cc1cccc(c1CSCF)I 62a_100015361967_100010150146 [0,2,0,0,0,0|2,0,0]=4 16210 B12R1.1631 Cc1cccc(c1NCCF)Br 34a_100011834072_100011217306 [0,2,0,0,0,0|2,0,0]=4 16211 B12R1.1631 Cc1cccc(c1NCCF)C 34a_100000185769_100011217306 [0,2,0,0,0,0|2,0,0]=4 16212 B12R1.1631 Cc1cccc(c1NCCF)Cl 34a_100000756524_100011217306 [0,2,0,0,0,0|2,0,0]=4 16213 B12R1.1631 Cc1cccc(c1NCCF)F 34a_100000766463_100011217306 [0,2,0,0,0,0|2,0,0]=4 16214 B12R1.1631 Cc1cccc(c1NCCF)O 34a_100000743429_100011217306 [0,2,0,0,0,0|2,0,0]=4 16215 B12R1.1631 Cc1cccc(c1NCCO)Br 34a_100011834072_100000211926 [0,2,0,0,0,0|1,0,0]=3 16216 B12R1.1631 Cc1cccc(c1NCCO)C 34a_100000185769_100000211926 [0,2,0,0,0,0|1,0,0]=3 16217 B12R1.1631 Cc1cccc(c1NCCO)Cl 34a_100000756524_100000211926 [0,2,0,0,0,0|1,0,0]=3 16218 B12R1.1631 Cc1cccc(c1NCCO)F 34a_100000766463_100000211926 [0,2,0,0,0,0|1,0,0]=3 16219 B12R1.1631 Cc1cccc(c1NCCO)O 34a_100000743429_100000211926 [0,2,0,0,0,0|1,0,0]=3 16220 B12R1.1631 Cc1cccc(c1OCCF)Br 34a_100009817157_100011217306 [0,2,0,0,0,0|2,0,0]=4 16221 B12R1.1631 Cc1cccc(c1OCCF)Br 7a_100009817157_100011217306 [0,2,0,0,0,0|2,0,0]=4 16222 B12R1.1631 Cc1cccc(c1OCCF)C 34a_100000210341_100011217306 [0,2,0,0,0,0|2,0,0]=4 16223 B12R1.1631 Cc1cccc(c1OCCF)C 7a_100000210341_100011217306 [0,2,0,0,0,0|2,0,0]=4 16224 B12R1.1631 Cc1cccc(c1OCCF)Cl 34a_100000033731_100011217306 [0,2,0,0,0,0|2,0,0]=4 16225 B12R1.1631 Cc1cccc(c1OCCF)Cl 7a_100000033731_100011217306 [0,2,0,0,0,0|2,0,0]=4 16226 B12R1.1631 Cc1cccc(c1OCCF)F 34a_100011659162_100011217306 [0,2,0,0,0,0|2,0,0]=4 16227 B12R1.1631 Cc1cccc(c1OCCF)F 7a_100011659162_100011217306 [0,2,0,0,0,0|2,0,0]=4 16228 B12R1.1631 Cc1cccc(c1OCCF)N 34a_100000756359_100011217306 [0,2,0,0,0,0|2,0,0]=4 16229 B12R1.1631 Cc1cccc(c1OCCF)N 7a_100000756359_100011217306 [0,2,0,0,0,0|2,0,0]=4 16230 B12R1.1631 Cc1cccc(c1OCCO)Br 34a_100009817157_100000211926 [0,2,0,0,0,0|1,0,0]=3 16231 B12R1.1631 Cc1cccc(c1OCCO)Br 7a_100009817157_100000211926 [0,2,0,0,0,0|1,0,0]=3 16232 B12R1.1631 Cc1cccc(c1OCCO)C 34a_100000210341_100000211926 [0,2,0,0,0,0|1,0,0]=3 16233 B12R1.1631 Cc1cccc(c1OCCO)C 7a_100000210341_100000211926 [0,2,0,0,0,0|1,0,0]=3 16234 B12R1.1631 Cc1cccc(c1OCCO)Cl 34a_100000033731_100000211926 [0,2,0,0,0,0|1,0,0]=3 16235 B12R1.1631 Cc1cccc(c1OCCO)Cl 7a_100000033731_100000211926 [0,2,0,0,0,0|1,0,0]=3 16236 B12R1.1631 Cc1cccc(c1OCCO)F 34a_100011659162_100000211926 [0,2,0,0,0,0|1,0,0]=3 16237 B12R1.1631 Cc1cccc(c1OCCO)F 7a_100011659162_100000211926 [0,2,0,0,0,0|1,0,0]=3 16238 B12R1.1631 Cc1cccc(c1OCCO)N 34a_100000756359_100000211926 [0,2,0,0,0,0|1,0,0]=3 16239 B12R1.1631 Cc1cccc(c1OCCO)N 7a_100000756359_100000211926 [0,2,0,0,0,0|1,0,0]=3 16240 B12R1.1631 Cc1cccc(c1SCCF)Br 62a_100010141302_100011217306 [0,2,0,0,0,0|2,0,0]=4 16241 B12R1.1631 Cc1cccc(c1SCCF)Br 62a_100011217306_100010141302 [0,2,0,0,0,0|2,0,0]=4 16242 B12R1.1631 Cc1cccc(c1SCCF)C 62a_100000033847_100011217306 [0,2,0,0,0,0|2,0,0]=4 16243 B12R1.1631 Cc1cccc(c1SCCF)C 62a_100011217306_100000033847 [0,2,0,0,0,0|2,0,0]=4 16244 B12R1.1631 Cc1cccc(c1SCCF)Cl 62a_100000043165_100011217306 [0,2,0,0,0,0|2,0,0]=4 16245 B12R1.1631 Cc1cccc(c1SCCF)Cl 62a_100011217306_100000043165 [0,2,0,0,0,0|2,0,0]=4 16246 B12R1.1631 Cc1cccc(c1SCCF)F 62a_100011217306_100011218421 [0,2,0,0,0,0|2,0,0]=4 16247 B12R1.1631 Cc1cccc(c1SCCF)F 62a_100011218421_100011217306 [0,2,0,0,0,0|2,0,0]=4 16248 B12R1.1631 Cc1cccc(c1SCCF)N 62a_100000684715_100011217306 [0,2,0,0,0,0|2,0,0]=4 16249 B12R1.1631 Cc1cccc(c1SCCF)N 62a_100011217306_100000684715 [0,2,0,0,0,0|2,0,0]=4 16250 B12R1.1631 Cc1cccc(c1SCCF)O 62a_100000686692_100011217306 [0,2,0,0,0,0|2,0,0]=4 16251 B12R1.1631 Cc1cccc(c1SCCF)O 62a_100011217306_100000686692 [0,2,0,0,0,0|2,0,0]=4 16252 B12R1.1631 Cc1cccc(c1SCCO)Br 62a_100000211926_100010141302 [0,2,0,0,0,0|1,0,0]=3 16253 B12R1.1631 Cc1cccc(c1SCCO)Br 62a_100010141302_100000211926 [0,2,0,0,0,0|1,0,0]=3 16254 B12R1.1631 Cc1cccc(c1SCCO)C 62a_100000033847_100000211926 [0,2,0,0,0,0|1,0,0]=3 16255 B12R1.1631 Cc1cccc(c1SCCO)C 62a_100000211926_100000033847 [0,2,0,0,0,0|1,0,0]=3 16256 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000043165_100000211926 [0,2,0,0,0,0|1,0,0]=3 16257 B12R1.1631 Cc1cccc(c1SCCO)Cl 62a_100000211926_100000043165 [0,2,0,0,0,0|1,0,0]=3 16258 B12R1.1631 Cc1cccc(c1SCCO)F 62a_100000211926_100011218421 [0,2,0,0,0,0|1,0,0]=3 16259 B12R1.1631 Cc1cccc(c1SCCO)F 62a_100011218421_100000211926 [0,2,0,0,0,0|1,0,0]=3 16260 B12R1.1631 Cc1cccc(c1SCCO)N 62a_100000211926_100000684715 [0,2,0,0,0,0|1,0,0]=3 16261 B12R1.1631 Cc1cccc(c1SCCO)N 62a_100000684715_100000211926 [0,2,0,0,0,0|1,0,0]=3 16262 B12R1.1631 Cc1cccc(c1SCCO)O 62a_100000211926_100000686692 [0,2,0,0,0,0|1,0,0]=3 16263 B12R1.1631 Cc1cccc(c1SCCO)O 62a_100000686692_100000211926 [0,2,0,0,0,0|1,0,0]=3 16264 B12R1.1631 Cc1ccnc(c1NCCO)F 27a_100000210304_100009818256 [0,2,0,0,0,0|2,0,0]=4 16265 B12R1.1631 Cc1ccnc(c1OCCO)C 34a_100011934651_100000211926 [0,2,0,0,0,0|2,0,0]=4 16266 B12R1.1631 Cc1ccnc(c1OCCO)C 7a_100011934651_100000211926 [0,2,0,0,0,0|2,0,0]=4 16267 B12R1.1631 Cc1ccnc(c1OCCO)Cl 34a_100000696282_100000211926 [0,2,0,0,0,0|2,0,0]=4 16268 B12R1.1631 Cc1ccnc(c1OCCO)Cl 7a_100000696282_100000211926 [0,2,0,0,0,0|2,0,0]=4 16269 B12R1.1631 Cc1ccnc(c1SCCO)C 62a_100000211926_100012000501 [0,2,0,0,0,0|2,0,0]=4 16270 B12R1.1631 Cc1ccnc(c1SCCO)C 62a_100012000501_100000211926 [0,2,0,0,0,0|2,0,0]=4 16271 B12R1.1631 Cc1ccnc(c1SCCO)Cl 62a_100000211926_100010248874 [0,2,0,0,0,0|2,0,0]=4 16272 B12R1.1631 Cc1ccnc(c1SCCO)Cl 62a_100010248874_100000211926 [0,2,0,0,0,0|2,0,0]=4 16273 B12R1.1631 Cc1ccnc(c1SCCO)F 62a_100000211926_100009818256 [0,2,0,0,0,0|2,0,0]=4 16274 B12R1.1631 Cc1ccnc(c1SCCO)F 62a_100009818256_100000211926 [0,2,0,0,0,0|2,0,0]=4 16275 B12R1.1631 Cc1ccnc(c1SCCO)N 62a_100000211926_100011998619 [0,2,0,0,0,0|2,0,0]=4 16276 B12R1.1631 Cc1ccnc(c1SCCO)N 62a_100011998619_100000211926 [0,2,0,0,0,0|2,0,0]=4 16277 B12R1.1631 Cc1ccnc(c1SCCO)O 62a_100000211926_100012000493 [0,2,0,0,0,0|2,0,0]=4 16278 B12R1.1631 Cc1ccnc(c1SCCO)O 62a_100012000493_100000211926 [0,2,0,0,0,0|2,0,0]=4 16279 B12R1.1631 Cc1cncc(c1SCCO)C 62a_100000211926_100009817138 [0,2,0,0,0,0|2,0,0]=4 16280 B12R1.1631 Cc1cncc(c1SCCO)C 62a_100009817138_100000211926 [0,2,0,0,0,0|2,0,0]=4 16281 B12R1.1631 Cc1nccc(c1SCCO)N 62a_100000211926_100010243816 [0,2,0,0,0,0|2,0,0]=4 16282 B12R1.1631 Cc1nccc(c1SCCO)N 62a_100010243816_100000211926 [0,2,0,0,0,0|2,0,0]=4 16283 B12R1.1631 Cc1occc(=O)c1OCCO 34a_100000031901_100000211926 [0,2,0,0,0,0|2,0,0]=4 16284 B12R1.1631 FCCNc1c(cccc1Br)Br 34a_100000690995_100011217306 [0,2,0,0,0,0|2,0,0]=4 16285 B12R1.1631 FCCNc1c(cccc1Br)Cl 34a_100102946385_100011217306 [0,2,0,0,0,0|2,0,0]=4 16286 B12R1.1631 FCCNc1c(cccc1Br)F 34a_100000684712_100011217306 [0,2,0,0,0,0|2,0,0]=4 16287 B12R1.1631 FCCNc1c(cccc1Cl)Cl 34a_100000210028_100011217306 [0,2,0,0,0,0|2,0,0]=4 16288 B12R1.1631 FCCNc1c(cccc1Cl)F 34a_100000760031_100011217306 [0,2,0,0,0,0|2,0,0]=4 16289 B12R1.1631 FCCNc1c(cccc1F)F 2230a_100000210704_100011217306 [0,2,0,0,0,0|2,0,0]=4 16290 B12R1.1631 FCCNc1c(cccc1F)F 34a_100000210704_100011217306 [0,2,0,0,0,0|2,0,0]=4 16291 B12R1.1631 FCCNc1c(cccc1I)F 34a_100000042321_100011217306 [0,2,0,0,0,0|2,0,0]=4 16292 B12R1.1631 FCCOc1c(cccc1Br)Br 34a_100000736428_100011217306 [0,2,0,0,0,0|2,0,0]=4 16293 B12R1.1631 FCCOc1c(cccc1Br)Br 7a_100000736428_100011217306 [0,2,0,0,0,0|2,0,0]=4 16294 B12R1.1631 FCCOc1c(cccc1Br)Cl 34a_100010214474_100011217306 [0,2,0,0,0,0|2,0,0]=4 16295 B12R1.1631 FCCOc1c(cccc1Br)Cl 7a_100010214474_100011217306 [0,2,0,0,0,0|2,0,0]=4 16296 B12R1.1631 FCCOc1c(cccc1Br)F 34a_100009813666_100011217306 [0,2,0,0,0,0|2,0,0]=4 16297 B12R1.1631 FCCOc1c(cccc1Br)F 7a_100009813666_100011217306 [0,2,0,0,0,0|2,0,0]=4 16298 B12R1.1631 FCCOc1c(cccc1Cl)Cl 34a_100000211709_100011217306 [0,2,0,0,0,0|2,0,0]=4 16299 B12R1.1631 FCCOc1c(cccc1Cl)Cl 7a_100000211709_100011217306 [0,2,0,0,0,0|2,0,0]=4 16300 B12R1.1631 FCCOc1c(cccc1Cl)F 34a_100000694953_100011217306 [0,2,0,0,0,0|2,0,0]=4 16301 B12R1.1631 FCCOc1c(cccc1Cl)F 7a_100000694953_100011217306 [0,2,0,0,0,0|2,0,0]=4 16302 B12R1.1631 FCCOc1c(cccc1F)F 34a_100000230165_100011217306 [0,2,0,0,0,0|2,0,0]=4 16303 B12R1.1631 FCCOc1c(cccc1F)F 7a_100000230165_100011217306 [0,2,0,0,0,0|2,0,0]=4 16304 B12R1.1631 FCCOc1c(cccc1I)Br 34a_100010084509_100011217306 [0,2,0,0,0,0|2,0,0]=4 16305 B12R1.1631 FCCOc1c(cccc1I)Br 7a_100010084509_100011217306 [0,2,0,0,0,0|2,0,0]=4 16306 B12R1.1631 FCCOc1c(cccc1I)Cl 34a_100010202889_100011217306 [0,2,0,0,0,0|2,0,0]=4 16307 B12R1.1631 FCCOc1c(cccc1I)Cl 7a_100010202889_100011217306 [0,2,0,0,0,0|2,0,0]=4 16308 B12R1.1631 FCCOc1c(cccc1I)F 34a_100010186298_100011217306 [0,2,0,0,0,0|2,0,0]=4 16309 B12R1.1631 FCCOc1c(cccc1I)F 7a_100010186298_100011217306 [0,2,0,0,0,0|2,0,0]=4 16310 B12R1.1631 FCCSc1c(cccc1Br)Br 62a_100009994525_100011217306 [0,2,0,0,0,0|2,0,0]=4 16311 B12R1.1631 FCCSc1c(cccc1Br)Br 62a_100011217306_100009994525 [0,2,0,0,0,0|2,0,0]=4 16312 B12R1.1631 FCCSc1c(cccc1Br)Cl 62a_100010214488_100011217306 [0,2,0,0,0,0|2,0,0]=4 16313 B12R1.1631 FCCSc1c(cccc1Br)Cl 62a_100011217306_100010214488 [0,2,0,0,0,0|2,0,0]=4 16314 B12R1.1631 FCCSc1c(cccc1Br)F 62a_100011217306_100011219512 [0,2,0,0,0,0|2,0,0]=4 16315 B12R1.1631 FCCSc1c(cccc1Br)F 62a_100011219512_100011217306 [0,2,0,0,0,0|2,0,0]=4 16316 B12R1.1631 FCCSc1c(cccc1Cl)Cl 62a_100000034237_100011217306 [0,2,0,0,0,0|2,0,0]=4 16317 B12R1.1631 FCCSc1c(cccc1Cl)Cl 62a_100011217306_100000034237 [0,2,0,0,0,0|2,0,0]=4 16318 B12R1.1631 FCCSc1c(cccc1Cl)F 62a_100000050007_100011217306 [0,2,0,0,0,0|2,0,0]=4 16319 B12R1.1631 FCCSc1c(cccc1Cl)F 62a_100011217306_100000050007 [0,2,0,0,0,0|2,0,0]=4 16320 B12R1.1631 FCCSc1c(cccc1F)F 62a_100000693133_100011217306 [0,2,0,0,0,0|2,0,0]=4 16321 B12R1.1631 FCCSc1c(cccc1F)F 62a_100011217306_100000693133 [0,2,0,0,0,0|2,0,0]=4 16322 B12R1.1631 FCNCc1c(cccc1Br)F 34a_100012349121_100015361967 [0,2,0,0,0,0|2,0,0]=4 16323 B12R1.1631 FCNCc1c(cccc1Cl)Cl 34a_100000174884_100015361967 [0,2,0,0,0,0|2,0,0]=4 16324 B12R1.1631 FCNCc1c(cccc1Cl)F 34a_100000174883_100015361967 [0,2,0,0,0,0|2,0,0]=4 16325 B12R1.1631 FCNCc1c(cccc1F)F 34a_100000688400_100015361967 [0,2,0,0,0,0|2,0,0]=4 16326 B12R1.1631 FCOCc1c(cccc1Br)Br 34a_100010172814_100015361967 [0,2,0,0,0,0|2,0,0]=4 16327 B12R1.1631 FCOCc1c(cccc1Br)Br 7a_100010172814_100015361967 [0,2,0,0,0,0|2,0,0]=4 16328 B12R1.1631 FCOCc1c(cccc1Br)F 34a_100012355691_100015361967 [0,2,0,0,0,0|2,0,0]=4 16329 B12R1.1631 FCOCc1c(cccc1Br)F 7a_100012355691_100015361967 [0,2,0,0,0,0|2,0,0]=4 16330 B12R1.1631 FCOCc1c(cccc1Cl)Cl 34a_100000215722_100015361967 [0,2,0,0,0,0|2,0,0]=4 16331 B12R1.1631 FCOCc1c(cccc1Cl)Cl 7a_100000215722_100015361967 [0,2,0,0,0,0|2,0,0]=4 16332 B12R1.1631 FCOCc1c(cccc1Cl)F 34a_100000215723_100015361967 [0,2,0,0,0,0|2,0,0]=4 16333 B12R1.1631 FCOCc1c(cccc1Cl)F 7a_100000215723_100015361967 [0,2,0,0,0,0|2,0,0]=4 16334 B12R1.1631 FCOCc1c(cccc1F)F 34a_100000698215_100015361967 [0,2,0,0,0,0|2,0,0]=4 16335 B12R1.1631 FCOCc1c(cccc1F)F 7a_100000698215_100015361967 [0,2,0,0,0,0|2,0,0]=4 16336 B12R1.1631 FCOCc1c(cccc1I)F 34a_100010214973_100015361967 [0,2,0,0,0,0|2,0,0]=4 16337 B12R1.1631 FCOCc1c(cccc1I)F 7a_100010214973_100015361967 [0,2,0,0,0,0|2,0,0]=4 16338 B12R1.1631 FCSCc1c(cccc1Br)Cl 62a_100010138402_100015361967 [0,2,0,0,0,0|2,0,0]=4 16339 B12R1.1631 FCSCc1c(cccc1Br)Cl 62a_100015361967_100010138402 [0,2,0,0,0,0|2,0,0]=4 16340 B12R1.1631 FCSCc1c(cccc1Br)F 62a_100012145669_100015361967 [0,2,0,0,0,0|2,0,0]=4 16341 B12R1.1631 FCSCc1c(cccc1Br)F 62a_100015361967_100012145669 [0,2,0,0,0,0|2,0,0]=4 16342 B12R1.1631 FCSCc1c(cccc1Cl)Cl 62a_100000187851_100015361967 [0,2,0,0,0,0|2,0,0]=4 16343 B12R1.1631 FCSCc1c(cccc1Cl)Cl 62a_100015361967_100000187851 [0,2,0,0,0,0|2,0,0]=4 16344 B12R1.1631 FCSCc1c(cccc1Cl)F 62a_100000187852_100015361967 [0,2,0,0,0,0|2,0,0]=4 16345 B12R1.1631 FCSCc1c(cccc1Cl)F 62a_100015361967_100000187852 [0,2,0,0,0,0|2,0,0]=4 16346 B12R1.1631 FCSCc1c(cccc1F)F 62a_100000709179_100015361967 [0,2,0,0,0,0|2,0,0]=4 16347 B12R1.1631 FCSCc1c(cccc1F)F 62a_100015361967_100000698325 [0,2,0,0,0,0|2,0,0]=4 16348 B12R1.1631 FCSCc1c(cccc1I)Br 62a_100010146611_100015361967 [0,2,0,0,0,0|2,0,0]=4 16349 B12R1.1631 FCSCc1c(cccc1I)Br 62a_100015361967_100010146611 [0,2,0,0,0,0|2,0,0]=4 16350 B12R1.1631 FCSCc1c(cccc1I)F 62a_100010149602_100015361967 [0,2,0,0,0,0|2,0,0]=4 16351 B12R1.1631 FCSCc1c(cccc1I)F 62a_100015361967_100010149602 [0,2,0,0,0,0|2,0,0]=4 16352 B12R1.1631 Nc1cccc(c1COCF)Br 34a_100000747656_100015361967 [0,2,0,0,0,0|2,0,0]=4 16353 B12R1.1631 Nc1cccc(c1COCF)Cl 34a_100011916388_100015361967 [0,2,0,0,0,0|2,0,0]=4 16354 B12R1.1631 Nc1cccc(c1COCF)F 34a_100011846719_100015361967 [0,2,0,0,0,0|2,0,0]=4 16355 B12R1.1631 Nc1cccc(c1OCCF)Br 34a_100011934915_100011217306 [0,2,0,0,0,0|2,0,0]=4 16356 B12R1.1631 Nc1cccc(c1OCCF)Cl 34a_100000754742_100011217306 [0,2,0,0,0,0|2,0,0]=4 16357 B12R1.1631 Nc1cccc(c1OCCF)F 34a_100011934987_100011217306 [0,2,0,0,0,0|2,0,0]=4 16358 B12R1.1631 Nc1cccc(c1OCCF)I 34a_100010084371_100011217306 [0,2,0,0,0,0|2,0,0]=4 16359 B12R1.1631 Nc1cccc(c1OCCF)N 34a_200016994477_100011217306 [0,2,0,0,0,0|2,0,0]=4 16360 B12R1.1631 Nc1cccc(c1OCCO)Br 34a_100011934915_100000211926 [0,2,0,0,0,0|1,0,0]=3 16361 B12R1.1631 Nc1cccc(c1OCCO)Cl 34a_100000754742_100000211926 [0,2,0,0,0,0|1,0,0]=3 16362 B12R1.1631 Nc1cccc(c1OCCO)F 34a_100011934987_100000211926 [0,2,0,0,0,0|1,0,0]=3 16363 B12R1.1631 Nc1cccc(c1OCCO)I 34a_100010084371_100000211926 [0,2,0,0,0,0|1,0,0]=3 16364 B12R1.1631 Nc1cccc(c1OCCO)N 34a_200016994477_100000211926 [0,2,0,0,0,0|1,0,0]=3 16365 B12R1.1631 Nc1cccc(c1SCCF)Br 62a_100011217306_100020590159 [0,2,0,0,0,0|2,0,0]=4 16366 B12R1.1631 Nc1cccc(c1SCCF)Br 62a_100020590159_100011217306 [0,2,0,0,0,0|2,0,0]=4 16367 B12R1.1631 Nc1cccc(c1SCCF)Cl 62a_100000049713_100011217306 [0,2,0,0,0,0|2,0,0]=4 16368 B12R1.1631 Nc1cccc(c1SCCF)Cl 62a_100011217306_100000049713 [0,2,0,0,0,0|2,0,0]=4 16369 B12R1.1631 Nc1cccc(c1SCCF)F 62a_100000690935_100011217306 [0,2,0,0,0,0|2,0,0]=4 16370 B12R1.1631 Nc1cccc(c1SCCF)F 62a_100011217306_100000690935 [0,2,0,0,0,0|2,0,0]=4 16371 B12R1.1631 Nc1cccc(c1SCCF)O 62a_100011217306_100012183704 [0,2,0,0,0,0|2,0,0]=4 16372 B12R1.1631 Nc1cccc(c1SCCF)O 62a_100012183704_100011217306 [0,2,0,0,0,0|2,0,0]=4 16373 B12R1.1631 Nc1cccc(c1SCCO)Br 62a_100000211926_100020590159 [0,2,0,0,0,0|1,0,0]=3 16374 B12R1.1631 Nc1cccc(c1SCCO)Br 62a_100020590159_100000211926 [0,2,0,0,0,0|1,0,0]=3 16375 B12R1.1631 Nc1cccc(c1SCCO)Cl 62a_100000049713_100000211926 [0,2,0,0,0,0|1,0,0]=3 16376 B12R1.1631 Nc1cccc(c1SCCO)Cl 62a_100000211926_100000049713 [0,2,0,0,0,0|1,0,0]=3 16377 B12R1.1631 Nc1cccc(c1SCCO)F 62a_100000211926_100000690935 [0,2,0,0,0,0|1,0,0]=3 16378 B12R1.1631 Nc1cccc(c1SCCO)F 62a_100000690935_100000211926 [0,2,0,0,0,0|1,0,0]=3 16379 B12R1.1631 Nc1cccc(c1SCCO)O 62a_100000211926_100012183704 [0,2,0,0,0,0|1,0,0]=3 16380 B12R1.1631 Nc1cccc(c1SCCO)O 62a_100012183704_100000211926 [0,2,0,0,0,0|1,0,0]=3 16381 B12R1.1631 Nc1ccnc(c1OCCO)Cl 34a_100009844647_100000211926 [0,2,0,0,0,0|2,0,0]=4 16382 B12R1.1631 Nc1ccnc(c1OCCO)Cl 7a_100009844647_100000211926 [0,2,0,0,0,0|2,0,0]=4 16383 B12R1.1631 Nc1ccnc(c1SCCO)Cl 62a_100000211926_100010208016 [0,2,0,0,0,0|2,0,0]=4 16384 B12R1.1631 Nc1ccnc(c1SCCO)Cl 62a_100010208016_100000211926 [0,2,0,0,0,0|2,0,0]=4 16385 B12R1.1631 Nc1ccnc(c1SCCO)F 62a_100000211926_100010381272 [0,2,0,0,0,0|2,0,0]=4 16386 B12R1.1631 Nc1ccnc(c1SCCO)F 62a_100010381272_100000211926 [0,2,0,0,0,0|2,0,0]=4 16387 B12R1.1631 Nc1nccc(c1SCCO)Cl 62a_100000211926_100010199028 [0,2,0,0,0,0|2,0,0]=4 16388 B12R1.1631 Nc1nccc(c1SCCO)Cl 62a_100010199028_100000211926 [0,2,0,0,0,0|2,0,0]=4 16389 B12R1.1631 OCCCc1c(cccc1F)O 271570a_203496583355_100021413403 [0,2,0,0,0,0|0,0,0]=2 16390 B12R1.1631 OCCNc1c(cccc1Br)Br 34a_100000690995_100000211926 [0,2,0,0,0,0|1,0,0]=3 16391 B12R1.1631 OCCNc1c(cccc1Br)Cl 34a_100102946385_100000211926 [0,2,0,0,0,0|1,0,0]=3 16392 B12R1.1631 OCCNc1c(cccc1Br)F 34a_100000684712_100000211926 [0,2,0,0,0,0|1,0,0]=3 16393 B12R1.1631 OCCNc1c(cccc1Br)O 34a_100011934926_100000211926 [0,2,0,0,0,0|1,0,0]=3 16394 B12R1.1631 OCCNc1c(cccc1Cl)Cl 34a_100000210028_100000211926 [0,2,0,0,0,0|1,0,0]=3 16395 B12R1.1631 OCCNc1c(cccc1Cl)F 34a_100000760031_100000211926 [0,2,0,0,0,0|1,0,0]=3 16396 B12R1.1631 OCCNc1c(cccc1Cl)O 34a_100012022510_100000211926 [0,2,0,0,0,0|1,0,0]=3 16397 B12R1.1631 OCCNc1c(cccc1F)F 2230a_100000210704_100000211926 [0,2,0,0,0,0|1,0,0]=3 16398 B12R1.1631 OCCNc1c(cccc1F)F 34a_100000210704_100000211926 [0,2,0,0,0,0|1,0,0]=3 16399 B12R1.1631 OCCNc1c(cccc1F)O 34a_100020591140_100000211926 [0,2,0,0,0,0|1,0,0]=3 16400 B12R1.1631 OCCNc1c(cccc1I)F 34a_100000042321_100000211926 [0,2,0,0,0,0|1,0,0]=3 16401 B12R1.1631 OCCNc1c(ccnc1F)F 27a_100000210304_100009874084 [0,2,0,0,0,0|2,0,0]=4 16402 B12R1.1631 OCCOc1c(cccc1Br)Br 34a_100000736428_100000211926 [0,2,0,0,0,0|1,0,0]=3 16403 B12R1.1631 OCCOc1c(cccc1Br)Br 7a_100000736428_100000211926 [0,2,0,0,0,0|1,0,0]=3 16404 B12R1.1631 OCCOc1c(cccc1Br)Cl 34a_100010214474_100000211926 [0,2,0,0,0,0|1,0,0]=3 16405 B12R1.1631 OCCOc1c(cccc1Br)Cl 7a_100010214474_100000211926 [0,2,0,0,0,0|1,0,0]=3 16406 B12R1.1631 OCCOc1c(cccc1Br)F 34a_100009813666_100000211926 [0,2,0,0,0,0|1,0,0]=3 16407 B12R1.1631 OCCOc1c(cccc1Br)F 7a_100009813666_100000211926 [0,2,0,0,0,0|1,0,0]=3 16408 B12R1.1631 OCCOc1c(cccc1Cl)Cl 34a_100000211709_100000211926 [0,2,0,0,0,0|1,0,0]=3 16409 B12R1.1631 OCCOc1c(cccc1Cl)Cl 7a_100000211709_100000211926 [0,2,0,0,0,0|1,0,0]=3 16410 B12R1.1631 OCCOc1c(cccc1Cl)F 34a_100000694953_100000211926 [0,2,0,0,0,0|1,0,0]=3 16411 B12R1.1631 OCCOc1c(cccc1Cl)F 7a_100000694953_100000211926 [0,2,0,0,0,0|1,0,0]=3 16412 B12R1.1631 OCCOc1c(cccc1F)F 34a_100000230165_100000211926 [0,2,0,0,0,0|1,0,0]=3 16413 B12R1.1631 OCCOc1c(cccc1F)F 7a_100000230165_100000211926 [0,2,0,0,0,0|1,0,0]=3 16414 B12R1.1631 OCCOc1c(cccc1I)Br 34a_100010084509_100000211926 [0,2,0,0,0,0|1,0,0]=3 16415 B12R1.1631 OCCOc1c(cccc1I)Br 7a_100010084509_100000211926 [0,2,0,0,0,0|1,0,0]=3 16416 B12R1.1631 OCCOc1c(cccc1I)Cl 34a_100010202889_100000211926 [0,2,0,0,0,0|1,0,0]=3 16417 B12R1.1631 OCCOc1c(cccc1I)Cl 7a_100010202889_100000211926 [0,2,0,0,0,0|1,0,0]=3 16418 B12R1.1631 OCCOc1c(cccc1I)F 34a_100010186298_100000211926 [0,2,0,0,0,0|1,0,0]=3 16419 B12R1.1631 OCCOc1c(cccc1I)F 7a_100010186298_100000211926 [0,2,0,0,0,0|1,0,0]=3 16420 B12R1.1631 OCCOc1c(ccnc1Cl)Cl 34a_100000118450_100000211926 [0,2,0,0,0,0|2,0,0]=4 16421 B12R1.1631 OCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000211926 [0,2,0,0,0,0|2,0,0]=4 16422 B12R1.1631 OCCOc1c(ccnc1Cl)F 34a_100009867227_100000211926 [0,2,0,0,0,0|2,0,0]=4 16423 B12R1.1631 OCCOc1c(ccnc1Cl)F 7a_100009867227_100000211926 [0,2,0,0,0,0|2,0,0]=4 16424 B12R1.1631 OCCOc1c(ccnc1Cl)I 34a_100010067911_100000211926 [0,2,0,0,0,0|2,0,0]=4 16425 B12R1.1631 OCCOc1c(ccnc1Cl)I 7a_100010067911_100000211926 [0,2,0,0,0,0|2,0,0]=4 16426 B12R1.1631 OCCSc1c(cccc1Br)Br 62a_100000211926_100009994525 [0,2,0,0,0,0|1,0,0]=3 16427 B12R1.1631 OCCSc1c(cccc1Br)Br 62a_100009994525_100000211926 [0,2,0,0,0,0|1,0,0]=3 16428 B12R1.1631 OCCSc1c(cccc1Br)Cl 62a_100000211926_100010214488 [0,2,0,0,0,0|1,0,0]=3 16429 B12R1.1631 OCCSc1c(cccc1Br)Cl 62a_100010214488_100000211926 [0,2,0,0,0,0|1,0,0]=3 16430 B12R1.1631 OCCSc1c(cccc1Br)F 62a_100000211926_100011219512 [0,2,0,0,0,0|1,0,0]=3 16431 B12R1.1631 OCCSc1c(cccc1Br)F 62a_100011219512_100000211926 [0,2,0,0,0,0|1,0,0]=3 16432 B12R1.1631 OCCSc1c(cccc1Br)O 62a_100000211926_100010187912 [0,2,0,0,0,0|1,0,0]=3 16433 B12R1.1631 OCCSc1c(cccc1Br)O 62a_100010187912_100000211926 [0,2,0,0,0,0|1,0,0]=3 16434 B12R1.1631 OCCSc1c(cccc1Cl)Cl 62a_100000034237_100000211926 [0,2,0,0,0,0|1,0,0]=3 16435 B12R1.1631 OCCSc1c(cccc1Cl)Cl 62a_100000211926_100000034237 [0,2,0,0,0,0|1,0,0]=3 16436 B12R1.1631 OCCSc1c(cccc1Cl)F 62a_100000050007_100000211926 [0,2,0,0,0,0|1,0,0]=3 16437 B12R1.1631 OCCSc1c(cccc1Cl)F 62a_100000211926_100000050007 [0,2,0,0,0,0|1,0,0]=3 16438 B12R1.1631 OCCSc1c(cccc1Cl)O 62a_100000211926_100000050174 [0,2,0,0,0,0|1,0,0]=3 16439 B12R1.1631 OCCSc1c(cccc1F)F 62a_100000211926_100000693133 [0,2,0,0,0,0|1,0,0]=3 16440 B12R1.1631 OCCSc1c(cccc1F)F 62a_100000693133_100000211926 [0,2,0,0,0,0|1,0,0]=3 16441 B12R1.1631 OCCSc1c(cccc1F)O 62a_100000211926_100009820682 [0,2,0,0,0,0|1,0,0]=3 16442 B12R1.1631 OCCSc1c(cccc1F)O 62a_100009820682_100000211926 [0,2,0,0,0,0|1,0,0]=3 16443 B12R1.1631 OCCSc1c(cccc1O)O 62a_100000211926_100010205330 [0,2,0,0,0,0|1,0,0]=3 16444 B12R1.1631 OCCSc1c(ccnc1Cl)Br 62a_100000211926_100009814607 [0,2,0,0,0,0|2,0,0]=4 16445 B12R1.1631 OCCSc1c(ccnc1Cl)Br 62a_100009814607_100000211926 [0,2,0,0,0,0|2,0,0]=4 16446 B12R1.1631 OCCSc1c(ccnc1Cl)Cl 62a_100000050019_100000211926 [0,2,0,0,0,0|2,0,0]=4 16447 B12R1.1631 OCCSc1c(ccnc1Cl)Cl 62a_100000211926_100000050019 [0,2,0,0,0,0|2,0,0]=4 16448 B12R1.1631 OCCSc1c(ccnc1Cl)F 62a_100000211926_100000716511 [0,2,0,0,0,0|2,0,0]=4 16449 B12R1.1631 OCCSc1c(ccnc1Cl)F 62a_100000716511_100000211926 [0,2,0,0,0,0|2,0,0]=4 16450 B12R1.1631 OCCSc1c(ccnc1F)F 62a_100000211926_100009874084 [0,2,0,0,0,0|2,0,0]=4 16451 B12R1.1631 OCCSc1c(ccnc1F)F 62a_100009874084_100000211926 [0,2,0,0,0,0|2,0,0]=4 16452 B12R1.1631 OCCSc1c(ccnc1O)O 62a_100000211926_200009817435 [0,2,0,0,0,0|2,0,0]=4 16453 B12R1.1631 OCCSc1c(cncc1Br)Br 62a_100000211926_100010172828 [0,2,0,0,0,0|2,0,0]=4 16454 B12R1.1631 OCCSc1c(cncc1Br)Br 62a_100010172828_100000211926 [0,2,0,0,0,0|2,0,0]=4 16455 B12R1.1631 OCCSc1c(cncc1Cl)Cl 62a_100000036193_100000211926 [0,2,0,0,0,0|2,0,0]=4 16456 B12R1.1631 OCCSc1c(cncc1Cl)Cl 62a_100000211926_100000036193 [0,2,0,0,0,0|2,0,0]=4 16457 B12R1.1631 OCCSc1c(cncc1F)F 62a_100000211926_100000760538 [0,2,0,0,0,0|2,0,0]=4 16458 B12R1.1631 OCCSc1c(cncc1F)F 62a_100000760538_100000211926 [0,2,0,0,0,0|2,0,0]=4 16459 B12R1.1631 Oc1cccc(c1NCCF)Br 34a_100011934926_100011217306 [0,2,0,0,0,0|2,0,0]=4 16460 B12R1.1631 Oc1cccc(c1NCCF)Cl 34a_100012022510_100011217306 [0,2,0,0,0,0|2,0,0]=4 16461 B12R1.1631 Oc1cccc(c1NCCF)F 34a_100020591140_100011217306 [0,2,0,0,0,0|2,0,0]=4 16462 B12R1.1631 Oc1cccc(c1SCCF)Br 62a_100010187912_100011217306 [0,2,0,0,0,0|2,0,0]=4 16463 B12R1.1631 Oc1cccc(c1SCCF)Br 62a_100011217306_100010187912 [0,2,0,0,0,0|2,0,0]=4 16464 B12R1.1631 Oc1cccc(c1SCCF)Cl 62a_100011217306_100000050174 [0,2,0,0,0,0|2,0,0]=4 16465 B12R1.1631 Oc1cccc(c1SCCF)F 62a_100009820682_100011217306 [0,2,0,0,0,0|2,0,0]=4 16466 B12R1.1631 Oc1cccc(c1SCCF)F 62a_100011217306_100009820682 [0,2,0,0,0,0|2,0,0]=4 16467 B12R1.1631 Oc1cccc(c1SCCF)O 62a_100011217306_100010205330 [0,2,0,0,0,0|2,0,0]=4 16468 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 2230a_100032004868_200025704644 [0,2,0,0,0,0|2,0,0]=4 16469 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 34a_100032004868_200025704644 [0,2,0,0,0,0|2,0,0]=4 16470 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 2230a_100000688150_200025704644 [0,2,0,0,0,0|2,0,0]=4 16471 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 34a_100000688150_200025704644 [0,2,0,0,0,0|2,0,0]=4 16472 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 34a_100011934077_200025704644 [0,2,0,0,0,0|2,0,0]=4 16473 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 7a_100011934077_200025704644 [0,2,0,0,0,0|2,0,0]=4 16474 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 34a_100011273940_200025704644 [0,2,0,0,0,0|2,0,0]=4 16475 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 7a_100011273940_200025704644 [0,2,0,0,0,0|2,0,0]=4 16476 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 34a_100011975733_200025704644 [0,2,0,0,0,0|2,0,0]=4 16477 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 7a_100011975733_200025704644 [0,2,0,0,0,0|2,0,0]=4 16478 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_100012161200_200025704644 [0,2,0,0,0,0|2,0,0]=4 16479 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_200025704644_100012161200 [0,2,0,0,0,0|2,0,0]=4 16480 B12R1.28 BrCCOCc1cc(ccn1)Br 34a_100000211926_100010173614 [0,2,0,0,0,0|2,0,0]=4 16481 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [0,2,0,0,0,0|1,0,0]=3 16482 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [0,2,0,0,0,0|1,0,0]=3 16483 B12R1.28 BrCCOCc1cccc(n1)Br 34a_100000211926_100009889011 [0,2,0,0,0,0|2,0,0]=4 16484 B12R1.28 BrCCOCc1ccnc(c1)Br 34a_100000211926_100010243470 [0,2,0,0,0,0|2,0,0]=4 16485 B12R1.28 BrCCOCc1cncc(c1)Br 34a_100000211926_100000738771 [0,2,0,0,0,0|2,0,0]=4 16486 B12R1.28 C#CCCNc1cccc(c1)Br 34a_100000210019_100000688953 [0,2,0,0,0,0|1,0,1]=4 16487 B12R1.28 C#CCCNc1cccc(c1)C 2230a_100000188690_100000688953 [0,2,0,0,0,0|1,0,1]=4 16488 B12R1.28 C#CCCNc1cccc(c1)C 34a_100000188690_100000688953 [0,2,0,0,0,0|1,0,1]=4 16489 B12R1.28 C#CCCNc1cccc(c1)Cl 34a_100000185859_100000688953 [0,2,0,0,0,0|1,0,1]=4 16490 B12R1.28 C#CCCNc1cccc(c1)F 34a_100000210047_100000688953 [0,2,0,0,0,0|1,0,1]=4 16491 B12R1.28 C#CCCNc1cccc(c1)I 34a_100000211102_100000688953 [0,2,0,0,0,0|1,0,1]=4 16492 B12R1.28 C#CCCNc1cccc(c1)O 34a_100000210217_100000688953 [0,2,0,0,0,0|1,0,1]=4 16493 B12R1.28 C#CCCOc1cccc(c1)Br 34a_100000210342_100000688953 [0,2,0,0,0,0|1,0,1]=4 16494 B12R1.28 C#CCCOc1cccc(c1)Br 7a_100000210342_100000688953 [0,2,0,0,0,0|1,0,1]=4 16495 B12R1.28 C#CCCOc1cccc(c1)C 34a_100000210337_100000688953 [0,2,0,0,0,0|1,0,1]=4 16496 B12R1.28 C#CCCOc1cccc(c1)C 7a_100000210337_100000688953 [0,2,0,0,0,0|1,0,1]=4 16497 B12R1.28 C#CCCOc1cccc(c1)Cl 34a_100000210295_100000688953 [0,2,0,0,0,0|1,0,1]=4 16498 B12R1.28 C#CCCOc1cccc(c1)Cl 7a_100000210295_100000688953 [0,2,0,0,0,0|1,0,1]=4 16499 B12R1.28 C#CCCOc1cccc(c1)F 34a_100000210426_100000688953 [0,2,0,0,0,0|1,0,1]=4 16500 B12R1.28 C#CCCOc1cccc(c1)F 7a_100000210426_100000688953 [0,2,0,0,0,0|1,0,1]=4 16501 B12R1.28 C#CCCOc1cccc(c1)I 34a_100000211634_100000688953 [0,2,0,0,0,0|1,0,1]=4 16502 B12R1.28 C#CCCOc1cccc(c1)I 7a_100000211634_100000688953 [0,2,0,0,0,0|1,0,1]=4 16503 B12R1.28 C#CCCOc1cccc(c1)N 34a_100000210217_100000688953 [0,2,0,0,0,0|1,0,1]=4 16504 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000688953_100000691529 [0,2,0,0,0,0|1,0,1]=4 16505 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000691529_100000688953 [0,2,0,0,0,0|1,0,1]=4 16506 B12R1.28 C#CCCSc1cccc(c1)C 62a_100000688953_100011215228 [0,2,0,0,0,0|1,0,1]=4 16507 B12R1.28 C#CCCSc1cccc(c1)C 62a_100011215228_100000688953 [0,2,0,0,0,0|1,0,1]=4 16508 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000688953_100000699651 [0,2,0,0,0,0|1,0,1]=4 16509 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000699651_100000688953 [0,2,0,0,0,0|1,0,1]=4 16510 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000685547_100000688953 [0,2,0,0,0,0|1,0,1]=4 16511 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000688953_100000685547 [0,2,0,0,0,0|1,0,1]=4 16512 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000210019_100000688953 [0,2,0,0,0,0|1,0,1]=4 16513 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000688953_100000210019 [0,2,0,0,0,0|1,0,1]=4 16514 B12R1.28 C#CCCSc1cccc(c1)O 62a_100000688953_100000211634 [0,2,0,0,0,0|1,0,1]=4 16515 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_100000688953_114929384022 [0,2,0,0,0,0|1,0,1]=4 16516 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_114929384022_100000688953 [0,2,0,0,0,0|1,0,1]=4 16517 B12R1.28 C#CCNCc1cccc(c1)Br 2230a_100000174977_100000038162 [0,2,0,0,0,0|1,0,1]=4 16518 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000174977_100000184674 [0,2,0,0,0,0|1,0,1]=4 16519 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000212058_100000698116 [0,2,0,0,0,0|1,0,1]=4 16520 B12R1.28 C#CCNCc1cccc(c1)C 2230a_100000185548_100000038162 [0,2,0,0,0,0|1,0,1]=4 16521 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000185548_100000184674 [0,2,0,0,0,0|1,0,1]=4 16522 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000212058_100000211840 [0,2,0,0,0,0|1,0,1]=4 16523 B12R1.28 C#CCNCc1cccc(c1)Cl 2230a_100000174878_100000038162 [0,2,0,0,0,0|1,0,1]=4 16524 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000174878_100000184674 [0,2,0,0,0,0|1,0,1]=4 16525 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000212058_100000187163 [0,2,0,0,0,0|1,0,1]=4 16526 B12R1.28 C#CCNCc1cccc(c1)F 2230a_100000174948_100000038162 [0,2,0,0,0,0|1,0,1]=4 16527 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000174948_100000184674 [0,2,0,0,0,0|1,0,1]=4 16528 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000212058_100000187166 [0,2,0,0,0,0|1,0,1]=4 16529 B12R1.28 C#CCNCc1cccc(c1)I 2230a_100000106179_100000038162 [0,2,0,0,0,0|1,0,1]=4 16530 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000106179_100000184674 [0,2,0,0,0,0|1,0,1]=4 16531 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000212058_100011218688 [0,2,0,0,0,0|1,0,1]=4 16532 B12R1.28 C#CCNCc1cccc(c1)O 2230a_100000743036_100000038162 [0,2,0,0,0,0|1,0,1]=4 16533 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000212058_100011660834 [0,2,0,0,0,0|1,0,1]=4 16534 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000743036_100000184674 [0,2,0,0,0,0|1,0,1]=4 16535 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000210247_100000698116 [0,2,0,0,0,0|1,0,1]=4 16536 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000687537_100000184674 [0,2,0,0,0,0|1,0,1]=4 16537 B12R1.28 C#CCOCc1cccc(c1)Br 7a_100000687537_100000038162 [0,2,0,0,0,0|1,0,1]=4 16538 B12R1.28 C#CCOCc1cccc(c1)C 34a_100000210247_100000211840 [0,2,0,0,0,0|1,0,1]=4 16539 B12R1.28 C#CCOCc1cccc(c1)C 34a_100011217746_100000184674 [0,2,0,0,0,0|1,0,1]=4 16540 B12R1.28 C#CCOCc1cccc(c1)C 7a_100011217746_100000038162 [0,2,0,0,0,0|1,0,1]=4 16541 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000210247_100000187163 [0,2,0,0,0,0|1,0,1]=4 16542 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000241301_100000184674 [0,2,0,0,0,0|1,0,1]=4 16543 B12R1.28 C#CCOCc1cccc(c1)Cl 7a_100000241301_100000038162 [0,2,0,0,0,0|1,0,1]=4 16544 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210247_100000187166 [0,2,0,0,0,0|1,0,1]=4 16545 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210976_100000184674 [0,2,0,0,0,0|1,0,1]=4 16546 B12R1.28 C#CCOCc1cccc(c1)F 7a_100000210976_100000038162 [0,2,0,0,0,0|1,0,1]=4 16547 B12R1.28 C#CCOCc1cccc(c1)I 34a_100000210247_100011218688 [0,2,0,0,0,0|1,0,1]=4 16548 B12R1.28 C#CCOCc1cccc(c1)I 34a_100011215336_100000184674 [0,2,0,0,0,0|1,0,1]=4 16549 B12R1.28 C#CCOCc1cccc(c1)I 7a_100011215336_100000038162 [0,2,0,0,0,0|1,0,1]=4 16550 B12R1.28 C#CCOCc1cccc(c1)N 34a_100000211919_100000184674 [0,2,0,0,0,0|1,0,1]=4 16551 B12R1.28 C#CCOCc1cccc(c1)O 34a_100000210247_100011660834 [0,2,0,0,0,0|1,0,1]=4 16552 B12R1.28 C#CCSCc1cccc(c1)Br 62a_100000038162_100000211773 [0,2,0,0,0,0|1,0,1]=4 16553 B12R1.28 C#CCSCc1cccc(c1)C 62a_100000038162_100000211840 [0,2,0,0,0,0|1,0,1]=4 16554 B12R1.28 C#CCSCc1cccc(c1)Cl 62a_100000038162_100000187163 [0,2,0,0,0,0|1,0,1]=4 16555 B12R1.28 C#CCSCc1cccc(c1)F 62a_100000038162_100000230114 [0,2,0,0,0,0|1,0,1]=4 16556 B12R1.28 C#CCSCc1cccc(c1)I 62a_100000038162_100011218688 [0,2,0,0,0,0|1,0,1]=4 16557 B12R1.28 C#CCSCc1cccc(c1)O 62a_100000038162_100011660834 [0,2,0,0,0,0|1,0,1]=4 16558 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [0,2,0,0,0,0|1,0,1]=4 16559 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,2,0,0,0,0|1,0,1]=4 16560 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,2,0,0,0,0|1,0,1]=4 16561 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [0,2,0,0,0,0|1,0,1]=4 16562 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [0,2,0,0,0,0|1,0,1]=4 16563 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [0,2,0,0,0,0|1,0,1]=4 16564 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [0,2,0,0,0,0|1,0,1]=4 16565 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [0,2,0,0,0,0|1,0,1]=4 16566 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [0,2,0,0,0,0|1,0,1]=4 16567 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,2,0,0,0,0|1,0,1]=4 16568 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,2,0,0,0,0|1,0,1]=4 16569 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,2,0,0,0,0|1,0,1]=4 16570 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,2,0,0,0,0|1,0,1]=4 16571 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [0,2,0,0,0,0|1,0,1]=4 16572 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [0,2,0,0,0,0|1,0,1]=4 16573 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [0,2,0,0,0,0|1,0,1]=4 16574 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [0,2,0,0,0,0|1,0,1]=4 16575 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [0,2,0,0,0,0|1,0,1]=4 16576 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [0,2,0,0,0,0|1,0,1]=4 16577 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [0,2,0,0,0,0|1,0,1]=4 16578 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,2,0,0,0,0|1,0,1]=4 16579 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,2,0,0,0,0|1,0,1]=4 16580 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [0,2,0,0,0,0|1,0,1]=4 16581 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [0,2,0,0,0,0|1,0,1]=4 16582 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [0,2,0,0,0,0|1,0,1]=4 16583 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [0,2,0,0,0,0|1,0,1]=4 16584 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [0,2,0,0,0,0|1,0,1]=4 16585 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [0,2,0,0,0,0|1,0,1]=4 16586 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [0,2,0,0,0,0|1,0,1]=4 16587 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [0,2,0,0,0,0|1,0,1]=4 16588 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [0,2,0,0,0,0|1,0,1]=4 16589 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [0,2,0,0,0,0|1,0,1]=4 16590 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [0,2,0,0,0,0|1,0,1]=4 16591 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [0,2,0,0,0,0|1,0,1]=4 16592 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [0,2,0,0,0,0|1,0,1]=4 16593 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [0,2,0,0,0,0|1,0,1]=4 16594 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [0,2,0,0,0,0|1,0,1]=4 16595 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [0,2,0,0,0,0|1,0,1]=4 16596 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [0,2,0,0,0,0|1,0,1]=4 16597 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [0,2,0,0,0,0|1,0,1]=4 16598 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [0,2,0,0,0,0|1,0,1]=4 16599 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [0,2,0,0,0,0|1,0,1]=4 16600 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [0,2,0,0,0,0|1,0,1]=4 16601 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [0,2,0,0,0,0|1,0,1]=4 16602 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [0,2,0,0,0,0|1,0,1]=4 16603 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [0,2,0,0,0,0|1,0,1]=4 16604 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [0,2,0,0,0,0|1,0,1]=4 16605 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [0,2,0,0,0,0|1,0,1]=4 16606 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [0,2,0,0,0,0|1,0,1]=4 16607 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [0,2,0,0,0,0|1,0,1]=4 16608 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [0,2,0,0,0,0|1,0,1]=4 16609 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [0,2,0,0,0,0|1,0,1]=4 16610 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [0,2,0,0,0,0|1,0,1]=4 16611 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [0,2,0,0,0,0|1,0,1]=4 16612 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [0,2,0,0,0,0|1,0,1]=4 16613 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [0,2,0,0,0,0|1,0,1]=4 16614 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [0,2,0,0,0,0|1,0,1]=4 16615 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [0,2,0,0,0,0|1,0,1]=4 16616 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,2,0,0,0,0|1,0,1]=4 16617 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,2,0,0,0,0|1,0,1]=4 16618 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,2,0,0,0,0|1,0,1]=4 16619 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,2,0,0,0,0|1,0,1]=4 16620 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,2,0,0,0,0|1,0,1]=4 16621 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,2,0,0,0,0|1,0,1]=4 16622 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [0,2,0,0,0,0|1,0,1]=4 16623 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [0,2,0,0,0,0|1,0,1]=4 16624 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [0,2,0,0,0,0|1,0,1]=4 16625 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [0,2,0,0,0,0|1,0,1]=4 16626 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [0,2,0,0,0,0|1,0,1]=4 16627 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [0,2,0,0,0,0|1,0,1]=4 16628 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [0,2,0,0,0,0|1,0,1]=4 16629 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [0,2,0,0,0,0|1,0,1]=4 16630 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [0,2,0,0,0,0|1,0,1]=4 16631 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [0,2,0,0,0,0|1,0,1]=4 16632 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [0,2,0,0,0,0|1,0,1]=4 16633 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [0,2,0,0,0,0|1,0,1]=4 16634 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [0,2,0,0,0,0|1,0,1]=4 16635 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [0,2,0,0,0,0|1,0,1]=4 16636 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [0,2,0,0,0,0|1,0,1]=4 16637 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [0,2,0,0,0,0|1,0,1]=4 16638 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [0,2,0,0,0,0|1,0,1]=4 16639 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [0,2,0,0,0,0|1,0,1]=4 16640 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [0,2,0,0,0,0|1,0,1]=4 16641 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [0,2,0,0,0,0|1,0,1]=4 16642 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [0,2,0,0,0,0|1,0,1]=4 16643 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [0,2,0,0,0,0|1,0,1]=4 16644 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [0,2,0,0,0,0|1,0,1]=4 16645 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [0,2,0,0,0,0|1,0,1]=4 16646 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [0,2,0,0,0,0|1,0,1]=4 16647 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [0,2,0,0,0,0|1,0,1]=4 16648 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [0,2,0,0,0,0|1,0,1]=4 16649 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [0,2,0,0,0,0|2,0,0]=4 16650 B12R1.28 CCCCNc1cc[nH]c(=O)c1 27a_100000102301_100000061649 [0,2,0,0,0,0|2,0,0]=4 16651 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,2,0,0,0,0|1,0,0]=3 16652 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,2,0,0,0,0|1,0,0]=3 16653 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,2,0,0,0,0|1,0,0]=3 16654 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,2,0,0,0,0|1,0,0]=3 16655 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,2,0,0,0,0|1,0,0]=3 16656 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,2,0,0,0,0|1,0,0]=3 16657 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,2,0,0,0,0|1,0,0]=3 16658 B12R1.28 CCCCNc1cccc(n1)F 27a_100000102301_100009815982 [0,2,0,0,0,0|2,0,0]=4 16659 B12R1.28 CCCCNc1ccnc(c1)C 27a_100000102301_100000758586 [0,2,0,0,0,0|2,0,0]=4 16660 B12R1.28 CCCCNc1ccnc(c1)F 27a_100000102301_100009816116 [0,2,0,0,0,0|2,0,0]=4 16661 B12R1.28 CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210210 [0,2,0,0,0,0|2,0,0]=4 16662 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210210 [0,2,0,0,0,0|2,0,0]=4 16663 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210211 [0,2,0,0,0,0|2,0,0]=4 16664 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [0,2,0,0,0,0|2,0,0]=4 16665 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,2,0,0,0,0|1,0,0]=3 16666 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,2,0,0,0,0|1,0,0]=3 16667 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,2,0,0,0,0|1,0,0]=3 16668 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,2,0,0,0,0|1,0,0]=3 16669 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,2,0,0,0,0|1,0,0]=3 16670 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,2,0,0,0,0|1,0,0]=3 16671 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,2,0,0,0,0|1,0,0]=3 16672 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,2,0,0,0,0|1,0,0]=3 16673 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,2,0,0,0,0|1,0,0]=3 16674 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,2,0,0,0,0|1,0,0]=3 16675 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,2,0,0,0,0|1,0,0]=3 16676 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,2,0,0,0,0|1,0,0]=3 16677 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [0,2,0,0,0,0|2,0,0]=4 16678 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [0,2,0,0,0,0|2,0,0]=4 16679 B12R1.28 CCCCOc1ccnc(c1)C 34a_100000688365_100000210210 [0,2,0,0,0,0|2,0,0]=4 16680 B12R1.28 CCCCOc1ccnc(c1)Cl 34a_100000762945_100000210210 [0,2,0,0,0,0|2,0,0]=4 16681 B12R1.28 CCCCOc1ccnc(c1)F 34a_100000732698_100000210210 [0,2,0,0,0,0|2,0,0]=4 16682 B12R1.28 CCCCOc1ccnc(c1)N 34a_100011834064_100000210210 [0,2,0,0,0,0|2,0,0]=4 16683 B12R1.28 CCCCOc1cncc(c1)Br 34a_100000754920_100000210210 [0,2,0,0,0,0|2,0,0]=4 16684 B12R1.28 CCCCOc1cncc(c1)Br 7a_100000754920_100000210211 [0,2,0,0,0,0|2,0,0]=4 16685 B12R1.28 CCCCOc1cncc(c1)C 34a_100011830280_100000210210 [0,2,0,0,0,0|2,0,0]=4 16686 B12R1.28 CCCCOc1cncc(c1)C 7a_100011830280_100000210211 [0,2,0,0,0,0|2,0,0]=4 16687 B12R1.28 CCCCOc1cncc(c1)Cl 7a_100000032511_100000210211 [0,2,0,0,0,0|2,0,0]=4 16688 B12R1.28 CCCCOc1cncc(c1)F 34a_100011830296_100000210210 [0,2,0,0,0,0|2,0,0]=4 16689 B12R1.28 CCCCOc1cncc(c1)F 7a_100011830296_100000210211 [0,2,0,0,0,0|2,0,0]=4 16690 B12R1.28 CCCCOc1cncc(c1)N 34a_100011997051_100000210210 [0,2,0,0,0,0|2,0,0]=4 16691 B12R1.28 CCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210210 [0,2,0,0,0,0|2,0,0]=4 16692 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [0,2,0,0,0,0|2,0,0]=4 16693 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [0,2,0,0,0,0|2,0,0]=4 16694 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [0,2,0,0,0,0|2,0,0]=4 16695 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [0,2,0,0,0,0|2,0,0]=4 16696 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [0,2,0,0,0,0|2,0,0]=4 16697 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [0,2,0,0,0,0|2,0,0]=4 16698 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [0,2,0,0,0,0|2,0,0]=4 16699 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [0,2,0,0,0,0|2,0,0]=4 16700 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [0,2,0,0,0,0|2,0,0]=4 16701 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100000210211_100009816521 [0,2,0,0,0,0|2,0,0]=4 16702 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210210 [0,2,0,0,0,0|2,0,0]=4 16703 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100000210211_100009996589 [0,2,0,0,0,0|2,0,0]=4 16704 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100009996589_100000210210 [0,2,0,0,0,0|2,0,0]=4 16705 B12R1.28 CCCCSc1ccc[n+](c1)[O-] 62a_100000210211_100009815978 [0,2,0,0,0,0|2,0,0]=4 16706 B12R1.28 CCCCSc1cccc(=O)[nH]1 62a_100000210211_100000752884 [0,2,0,0,0,0|2,0,0]=4 16707 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,2,0,0,0,0|1,0,0]=3 16708 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,2,0,0,0,0|1,0,0]=3 16709 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,2,0,0,0,0|1,0,0]=3 16710 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,2,0,0,0,0|1,0,0]=3 16711 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,2,0,0,0,0|1,0,0]=3 16712 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,2,0,0,0,0|1,0,0]=3 16713 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,2,0,0,0,0|1,0,0]=3 16714 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,2,0,0,0,0|1,0,0]=3 16715 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,2,0,0,0,0|1,0,0]=3 16716 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,2,0,0,0,0|1,0,0]=3 16717 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,2,0,0,0,0|1,0,0]=3 16718 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,2,0,0,0,0|1,0,0]=3 16719 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,2,0,0,0,0|1,0,0]=3 16720 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,2,0,0,0,0|1,0,0]=3 16721 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000210211_100000684672 [0,2,0,0,0,0|2,0,0]=4 16722 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000684672_100000210210 [0,2,0,0,0,0|2,0,0]=4 16723 B12R1.28 CCCCSc1cccc(n1)C 62a_100000210211_100000742759 [0,2,0,0,0,0|2,0,0]=4 16724 B12R1.28 CCCCSc1cccc(n1)C 62a_100000742759_100000210210 [0,2,0,0,0,0|2,0,0]=4 16725 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000051397_100000210210 [0,2,0,0,0,0|2,0,0]=4 16726 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000210211_100000051397 [0,2,0,0,0,0|2,0,0]=4 16727 B12R1.28 CCCCSc1cccc(n1)F 62a_100000210211_100009815982 [0,2,0,0,0,0|2,0,0]=4 16728 B12R1.28 CCCCSc1cccc(n1)F 62a_100009815982_100000210210 [0,2,0,0,0,0|2,0,0]=4 16729 B12R1.28 CCCCSc1cccc(n1)N 62a_100000210211_100000740741 [0,2,0,0,0,0|2,0,0]=4 16730 B12R1.28 CCCCSc1cccc(n1)N 62a_100000740741_100000210210 [0,2,0,0,0,0|2,0,0]=4 16731 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100000210211_100009814637 [0,2,0,0,0,0|2,0,0]=4 16732 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100009814637_100000210210 [0,2,0,0,0,0|2,0,0]=4 16733 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000210211_100000758586 [0,2,0,0,0,0|2,0,0]=4 16734 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000758586_100000210210 [0,2,0,0,0,0|2,0,0]=4 16735 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000035001_100000210210 [0,2,0,0,0,0|2,0,0]=4 16736 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000210211_100000035001 [0,2,0,0,0,0|2,0,0]=4 16737 B12R1.28 CCCCSc1ccnc(c1)F 62a_100000210211_100009816116 [0,2,0,0,0,0|2,0,0]=4 16738 B12R1.28 CCCCSc1ccnc(c1)F 62a_100009816116_100000210210 [0,2,0,0,0,0|2,0,0]=4 16739 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000049665_100000210210 [0,2,0,0,0,0|2,0,0]=4 16740 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000210211_100000049665 [0,2,0,0,0,0|2,0,0]=4 16741 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000210211_100000728054 [0,2,0,0,0,0|2,0,0]=4 16742 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000728054_100000210210 [0,2,0,0,0,0|2,0,0]=4 16743 B12R1.28 CCCCSc1cncc(c1)C 62a_100000210211_100000760492 [0,2,0,0,0,0|2,0,0]=4 16744 B12R1.28 CCCCSc1cncc(c1)C 62a_100000760492_100000210210 [0,2,0,0,0,0|2,0,0]=4 16745 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000049639_100000210210 [0,2,0,0,0,0|2,0,0]=4 16746 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000210211_100000049639 [0,2,0,0,0,0|2,0,0]=4 16747 B12R1.28 CCCCSc1cncc(c1)F 62a_100000210211_100000744099 [0,2,0,0,0,0|2,0,0]=4 16748 B12R1.28 CCCCSc1cncc(c1)F 62a_100000744099_100000210210 [0,2,0,0,0,0|2,0,0]=4 16749 B12R1.28 CCCCSc1cncc(c1)N 62a_100000210211_100000687067 [0,2,0,0,0,0|2,0,0]=4 16750 B12R1.28 CCCCSc1cncc(c1)N 62a_100000687067_100000210210 [0,2,0,0,0,0|2,0,0]=4 16751 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [0,2,0,0,0,0|2,0,0]=4 16752 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [0,2,0,0,0,0|2,0,0]=4 16753 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [0,2,0,0,0,0|2,0,0]=4 16754 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [0,2,0,0,0,0|2,0,0]=4 16755 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [0,2,0,0,0,0|2,0,0]=4 16756 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [0,2,0,0,0,0|2,0,0]=4 16757 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [0,2,0,0,0,0|2,0,0]=4 16758 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [0,2,0,0,0,0|2,0,0]=4 16759 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,2,0,0,0,0|1,0,0]=3 16760 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,2,0,0,0,0|1,0,0]=3 16761 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,2,0,0,0,0|1,0,0]=3 16762 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,2,0,0,0,0|1,0,0]=3 16763 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,2,0,0,0,0|1,0,0]=3 16764 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,2,0,0,0,0|1,0,0]=3 16765 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,2,0,0,0,0|1,0,0]=3 16766 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,2,0,0,0,0|1,0,0]=3 16767 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,2,0,0,0,0|1,0,0]=3 16768 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,2,0,0,0,0|1,0,0]=3 16769 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,2,0,0,0,0|1,0,0]=3 16770 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,2,0,0,0,0|1,0,0]=3 16771 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,2,0,0,0,0|1,0,0]=3 16772 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,2,0,0,0,0|1,0,0]=3 16773 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,2,0,0,0,0|1,0,0]=3 16774 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,2,0,0,0,0|1,0,0]=3 16775 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,2,0,0,0,0|1,0,0]=3 16776 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,2,0,0,0,0|1,0,0]=3 16777 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,2,0,0,0,0|1,0,0]=3 16778 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,2,0,0,0,0|1,0,0]=3 16779 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,2,0,0,0,0|1,0,0]=3 16780 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,2,0,0,0,0|1,0,0]=3 16781 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,2,0,0,0,0|1,0,0]=3 16782 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,2,0,0,0,0|1,0,0]=3 16783 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,2,0,0,0,0|1,0,0]=3 16784 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [0,2,0,0,0,0|2,0,0]=4 16785 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [0,2,0,0,0,0|2,0,0]=4 16786 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [0,2,0,0,0,0|2,0,0]=4 16787 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [0,2,0,0,0,0|2,0,0]=4 16788 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [0,2,0,0,0,0|2,0,0]=4 16789 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [0,2,0,0,0,0|2,0,0]=4 16790 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [0,2,0,0,0,0|2,0,0]=4 16791 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [0,2,0,0,0,0|2,0,0]=4 16792 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [0,2,0,0,0,0|2,0,0]=4 16793 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [0,2,0,0,0,0|2,0,0]=4 16794 B12R1.28 CCCNCc1ccnc(c1)Br 2230a_100025757509_100000210303 [0,2,0,0,0,0|2,0,0]=4 16795 B12R1.28 CCCNCc1ccnc(c1)Br 270004a_100020643023_100009814634 [0,2,0,0,0,0|2,0,0]=4 16796 B12R1.28 CCCNCc1ccnc(c1)Br 34a_100025757509_100000210303 [0,2,0,0,0,0|2,0,0]=4 16797 B12R1.28 CCCNCc1ccnc(c1)C 207a_100020643023_100011361630 [0,2,0,0,0,0|2,0,0]=4 16798 B12R1.28 CCCNCc1ccnc(c1)C 270004a_100020643023_100011361630 [0,2,0,0,0,0|2,0,0]=4 16799 B12R1.28 CCCNCc1ccnc(c1)C 34a_100011934566_100000210303 [0,2,0,0,0,0|2,0,0]=4 16800 B12R1.28 CCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210303 [0,2,0,0,0,0|2,0,0]=4 16801 B12R1.28 CCCNCc1ccnc(c1)Cl 270004a_100020643023_100011290808 [0,2,0,0,0,0|2,0,0]=4 16802 B12R1.28 CCCNCc1ccnc(c1)Cl 34a_100015205668_100000210303 [0,2,0,0,0,0|2,0,0]=4 16803 B12R1.28 CCCNCc1ccnc(c1)F 2230a_100015188774_100000210303 [0,2,0,0,0,0|2,0,0]=4 16804 B12R1.28 CCCNCc1ccnc(c1)F 270004a_100020643023_100000068331 [0,2,0,0,0,0|2,0,0]=4 16805 B12R1.28 CCCNCc1ccnc(c1)F 34a_100015188774_100000210303 [0,2,0,0,0,0|2,0,0]=4 16806 B12R1.28 CCCNCc1ccnc(c1)O 207a_100020643023_100000688113 [0,2,0,0,0,0|2,0,0]=4 16807 B12R1.28 CCCNCc1cncc(c1)Br 207a_100020643023_100000687066 [0,2,0,0,0,0|2,0,0]=4 16808 B12R1.28 CCCNCc1cncc(c1)Br 270004a_100020643023_100000687066 [0,2,0,0,0,0|2,0,0]=4 16809 B12R1.28 CCCNCc1cncc(c1)C 207a_100020643023_100011998712 [0,2,0,0,0,0|2,0,0]=4 16810 B12R1.28 CCCNCc1cncc(c1)C 2230a_100000692839_100000210303 [0,2,0,0,0,0|2,0,0]=4 16811 B12R1.28 CCCNCc1cncc(c1)C 270004a_100020643023_100011998712 [0,2,0,0,0,0|2,0,0]=4 16812 B12R1.28 CCCNCc1cncc(c1)C 34a_100000692839_100000210303 [0,2,0,0,0,0|2,0,0]=4 16813 B12R1.28 CCCNCc1cncc(c1)Cl 207a_100020643023_100000088910 [0,2,0,0,0,0|2,0,0]=4 16814 B12R1.28 CCCNCc1cncc(c1)Cl 2230a_200020614424_100000210303 [0,2,0,0,0,0|2,0,0]=4 16815 B12R1.28 CCCNCc1cncc(c1)Cl 270004a_100020643023_100000088910 [0,2,0,0,0,0|2,0,0]=4 16816 B12R1.28 CCCNCc1cncc(c1)F 207a_100020643023_100011361476 [0,2,0,0,0,0|2,0,0]=4 16817 B12R1.28 CCCNCc1cncc(c1)F 2230a_100011962886_100000210303 [0,2,0,0,0,0|2,0,0]=4 16818 B12R1.28 CCCNCc1cncc(c1)F 270004a_100020643023_100011361476 [0,2,0,0,0,0|2,0,0]=4 16819 B12R1.28 CCCNCc1cncc(c1)F 34a_100011962886_100000210303 [0,2,0,0,0,0|2,0,0]=4 16820 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [0,2,0,0,0,0|2,0,0]=4 16821 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [0,2,0,0,0,0|2,0,0]=4 16822 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [0,2,0,0,0,0|2,0,0]=4 16823 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [0,2,0,0,0,0|2,0,0]=4 16824 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [0,2,0,0,0,0|2,0,0]=4 16825 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [0,2,0,0,0,0|2,0,0]=4 16826 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [0,2,0,0,0,0|2,0,0]=4 16827 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [0,2,0,0,0,0|2,0,0]=4 16828 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [0,2,0,0,0,0|2,0,0]=4 16829 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [0,2,0,0,0,0|2,0,0]=4 16830 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,2,0,0,0,0|1,0,0]=3 16831 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,2,0,0,0,0|1,0,0]=3 16832 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,2,0,0,0,0|1,0,0]=3 16833 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,2,0,0,0,0|1,0,0]=3 16834 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,2,0,0,0,0|1,0,0]=3 16835 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,2,0,0,0,0|1,0,0]=3 16836 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,2,0,0,0,0|1,0,0]=3 16837 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,2,0,0,0,0|1,0,0]=3 16838 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,2,0,0,0,0|1,0,0]=3 16839 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,2,0,0,0,0|1,0,0]=3 16840 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,2,0,0,0,0|1,0,0]=3 16841 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,2,0,0,0,0|1,0,0]=3 16842 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,2,0,0,0,0|1,0,0]=3 16843 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,2,0,0,0,0|1,0,0]=3 16844 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,2,0,0,0,0|1,0,0]=3 16845 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,2,0,0,0,0|1,0,0]=3 16846 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,2,0,0,0,0|1,0,0]=3 16847 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [0,2,0,0,0,0|2,0,0]=4 16848 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [0,2,0,0,0,0|2,0,0]=4 16849 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [0,2,0,0,0,0|2,0,0]=4 16850 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [0,2,0,0,0,0|2,0,0]=4 16851 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [0,2,0,0,0,0|2,0,0]=4 16852 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [0,2,0,0,0,0|2,0,0]=4 16853 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [0,2,0,0,0,0|2,0,0]=4 16854 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [0,2,0,0,0,0|2,0,0]=4 16855 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100000210258_100010243470 [0,2,0,0,0,0|2,0,0]=4 16856 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100009814636_100000210303 [0,2,0,0,0,0|2,0,0]=4 16857 B12R1.28 CCCOCc1ccnc(c1)Br 7a_100009814636_100000210303 [0,2,0,0,0,0|2,0,0]=4 16858 B12R1.28 CCCOCc1ccnc(c1)C 34a_100000210258_200020672517 [0,2,0,0,0,0|2,0,0]=4 16859 B12R1.28 CCCOCc1ccnc(c1)C 34a_100011998630_100000210303 [0,2,0,0,0,0|2,0,0]=4 16860 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000210258_100000764220 [0,2,0,0,0,0|2,0,0]=4 16861 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000748751_100000210303 [0,2,0,0,0,0|2,0,0]=4 16862 B12R1.28 CCCOCc1ccnc(c1)F 34a_100000082451_100000210303 [0,2,0,0,0,0|2,0,0]=4 16863 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [0,2,0,0,0,0|2,0,0]=4 16864 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [0,2,0,0,0,0|2,0,0]=4 16865 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [0,2,0,0,0,0|2,0,0]=4 16866 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [0,2,0,0,0,0|2,0,0]=4 16867 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [0,2,0,0,0,0|2,0,0]=4 16868 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [0,2,0,0,0,0|2,0,0]=4 16869 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [0,2,0,0,0,0|2,0,0]=4 16870 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [0,2,0,0,0,0|2,0,0]=4 16871 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [0,2,0,0,0,0|2,0,0]=4 16872 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [0,2,0,0,0,0|2,0,0]=4 16873 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [0,2,0,0,0,0|2,0,0]=4 16874 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [0,2,0,0,0,0|2,0,0]=4 16875 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [0,2,0,0,0,0|2,0,0]=4 16876 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [0,2,0,0,0,0|2,0,0]=4 16877 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [0,2,0,0,0,0|2,0,0]=4 16878 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [0,2,0,0,0,0|2,0,0]=4 16879 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [0,2,0,0,0,0|2,0,0]=4 16880 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [0,2,0,0,0,0|2,0,0]=4 16881 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [0,2,0,0,0,0|2,0,0]=4 16882 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,2,0,0,0,0|1,0,0]=3 16883 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,2,0,0,0,0|1,0,0]=3 16884 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,2,0,0,0,0|1,0,0]=3 16885 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,2,0,0,0,0|1,0,0]=3 16886 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,2,0,0,0,0|1,0,0]=3 16887 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,2,0,0,0,0|1,0,0]=3 16888 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,2,0,0,0,0|1,0,0]=3 16889 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,2,0,0,0,0|1,0,0]=3 16890 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,2,0,0,0,0|1,0,0]=3 16891 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,2,0,0,0,0|1,0,0]=3 16892 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,2,0,0,0,0|1,0,0]=3 16893 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,2,0,0,0,0|1,0,0]=3 16894 B12R1.28 CCCSCc1cccc(n1)Br 62a_100000210303_100009889011 [0,2,0,0,0,0|2,0,0]=4 16895 B12R1.28 CCCSCc1cccc(n1)Br 62a_100009889011_100000210303 [0,2,0,0,0,0|2,0,0]=4 16896 B12R1.28 CCCSCc1cccc(n1)C 62a_100000210303_100000757606 [0,2,0,0,0,0|2,0,0]=4 16897 B12R1.28 CCCSCc1cccc(n1)C 62a_100000757606_100000210303 [0,2,0,0,0,0|2,0,0]=4 16898 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000086093_100000210303 [0,2,0,0,0,0|2,0,0]=4 16899 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000210303_100000086093 [0,2,0,0,0,0|2,0,0]=4 16900 B12R1.28 CCCSCc1cccc(n1)F 62a_100000210303_100009819644 [0,2,0,0,0,0|2,0,0]=4 16901 B12R1.28 CCCSCc1cccc(n1)F 62a_100009819644_100000210303 [0,2,0,0,0,0|2,0,0]=4 16902 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100000210303_100010243470 [0,2,0,0,0,0|2,0,0]=4 16903 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100010254460_100000210303 [0,2,0,0,0,0|2,0,0]=4 16904 B12R1.28 CCCSCc1ccnc(c1)C 62a_100000210303_200020672517 [0,2,0,0,0,0|2,0,0]=4 16905 B12R1.28 CCCSCc1ccnc(c1)C 62a_200020672517_100000210303 [0,2,0,0,0,0|2,0,0]=4 16906 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000210303_100000764220 [0,2,0,0,0,0|2,0,0]=4 16907 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000764220_100000210303 [0,2,0,0,0,0|2,0,0]=4 16908 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000210303_100000738771 [0,2,0,0,0,0|2,0,0]=4 16909 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000738771_100000210303 [0,2,0,0,0,0|2,0,0]=4 16910 B12R1.28 CCCSCc1cncc(c1)C 62a_100000210303_100000716715 [0,2,0,0,0,0|2,0,0]=4 16911 B12R1.28 CCCSCc1cncc(c1)C 62a_100000716715_100000210303 [0,2,0,0,0,0|2,0,0]=4 16912 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100000210303_100016992070 [0,2,0,0,0,0|2,0,0]=4 16913 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100016992070_100000210303 [0,2,0,0,0,0|2,0,0]=4 16914 B12R1.28 CCCSCc1cncc(c1)F 62a_100000210303_100000725299 [0,2,0,0,0,0|2,0,0]=4 16915 B12R1.28 CCCSCc1cncc(c1)F 62a_100000725299_100000210303 [0,2,0,0,0,0|2,0,0]=4 16916 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,2,0,0,0,0|1,0,0]=3 16917 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,2,0,0,0,0|1,0,0]=3 16918 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,2,0,0,0,0|1,0,0]=3 16919 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,2,0,0,0,0|1,0,0]=3 16920 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,2,0,0,0,0|1,0,0]=3 16921 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,2,0,0,0,0|1,0,0]=3 16922 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,2,0,0,0,0|1,0,0]=3 16923 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,2,0,0,0,0|1,0,0]=3 16924 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,2,0,0,0,0|1,0,0]=3 16925 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,2,0,0,0,0|1,0,0]=3 16926 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,2,0,0,0,0|1,0,0]=3 16927 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,2,0,0,0,0|1,0,0]=3 16928 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,2,0,0,0,0|1,0,0]=3 16929 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,2,0,0,0,0|1,0,0]=3 16930 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [0,2,0,0,0,0|2,0,0]=4 16931 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [0,2,0,0,0,0|2,0,0]=4 16932 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,2,0,0,0,0|1,0,0]=3 16933 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,2,0,0,0,0|1,0,0]=3 16934 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,2,0,0,0,0|1,0,0]=3 16935 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,2,0,0,0,0|1,0,0]=3 16936 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,2,0,0,0,0|1,0,0]=3 16937 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,2,0,0,0,0|1,0,0]=3 16938 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,2,0,0,0,0|1,0,0]=3 16939 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,2,0,0,0,0|1,0,0]=3 16940 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,2,0,0,0,0|1,0,0]=3 16941 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,2,0,0,0,0|1,0,0]=3 16942 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,2,0,0,0,0|1,0,0]=3 16943 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,2,0,0,0,0|1,0,0]=3 16944 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,2,0,0,0,0|1,0,0]=3 16945 B12R1.28 CCOCCc1cccc(n1)Br 34a_100010221043_100000210202 [0,2,0,0,0,0|2,0,0]=4 16946 B12R1.28 CCOCCc1cccc(n1)Br 7a_100010221043_100000210202 [0,2,0,0,0,0|2,0,0]=4 16947 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000691529_100000739092 [0,2,0,0,0,0|2,0,0]=4 16948 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000739092_100000691529 [0,2,0,0,0,0|2,0,0]=4 16949 B12R1.28 CCOCSc1cccc(c1)C 62a_100000739092_100011215228 [0,2,0,0,0,0|2,0,0]=4 16950 B12R1.28 CCOCSc1cccc(c1)C 62a_100011215228_100000739092 [0,2,0,0,0,0|2,0,0]=4 16951 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000699651_100000739092 [0,2,0,0,0,0|2,0,0]=4 16952 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000739092_100000699651 [0,2,0,0,0,0|2,0,0]=4 16953 B12R1.28 CCOCSc1cccc(c1)F 62a_100000685547_100000739092 [0,2,0,0,0,0|2,0,0]=4 16954 B12R1.28 CCOCSc1cccc(c1)F 62a_100000739092_100000685547 [0,2,0,0,0,0|2,0,0]=4 16955 B12R1.28 CCOCSc1cccc(c1)N 62a_100000210019_100000739092 [0,2,0,0,0,0|2,0,0]=4 16956 B12R1.28 CCOCSc1cccc(c1)N 62a_100000739092_100000210019 [0,2,0,0,0,0|2,0,0]=4 16957 B12R1.28 CCOCSc1cccc(c1)O 62a_100000739092_100000211634 [0,2,0,0,0,0|2,0,0]=4 16958 B12R1.28 CCOCSc1cccc(c1)[S] 62a_100000739092_114929384022 [0,2,0,0,0,0|2,0,0]=4 16959 B12R1.28 CCOCSc1cccc(c1)[S] 62a_114929384022_100000739092 [0,2,0,0,0,0|2,0,0]=4 16960 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,2,0,0,0,0|1,0,0]=3 16961 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,2,0,0,0,0|1,0,0]=3 16962 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,2,0,0,0,0|1,0,0]=3 16963 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,2,0,0,0,0|1,0,0]=3 16964 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,2,0,0,0,0|1,0,0]=3 16965 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,2,0,0,0,0|1,0,0]=3 16966 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,2,0,0,0,0|1,0,0]=3 16967 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,2,0,0,0,0|1,0,0]=3 16968 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 16969 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,2,0,0,0,0|1,0,0]=3 16970 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 16971 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,2,0,0,0,0|1,0,0]=3 16972 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,2,0,0,0,0|1,0,0]=3 16973 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,2,0,0,0,0|1,0,0]=3 16974 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,2,0,0,0,0|1,0,0]=3 16975 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,2,0,0,0,0|1,0,0]=3 16976 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,2,0,0,0,0|1,0,0]=3 16977 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,2,0,0,0,0|1,0,0]=3 16978 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,2,0,0,0,0|1,0,0]=3 16979 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,2,0,0,0,0|1,0,0]=3 16980 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,2,0,0,0,0|1,0,0]=3 16981 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,2,0,0,0,0|1,0,0]=3 16982 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,2,0,0,0,0|2,0,0]=4 16983 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,2,0,0,0,0|2,0,0]=4 16984 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,2,0,0,0,0|2,0,0]=4 16985 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,2,0,0,0,0|2,0,0]=4 16986 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,2,0,0,0,0|2,0,0]=4 16987 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,2,0,0,0,0|2,0,0]=4 16988 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,2,0,0,0,0|2,0,0]=4 16989 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,2,0,0,0,0|2,0,0]=4 16990 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,2,0,0,0,0|2,0,0]=4 16991 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,2,0,0,0,0|2,0,0]=4 16992 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,2,0,0,0,0|2,0,0]=4 16993 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,2,0,0,0,0|2,0,0]=4 16994 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,2,0,0,0,0|2,0,0]=4 16995 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,2,0,0,0,0|2,0,0]=4 16996 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,2,0,0,0,0|2,0,0]=4 16997 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,2,0,0,0,0|2,0,0]=4 16998 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,2,0,0,0,0|2,0,0]=4 16999 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,2,0,0,0,0|2,0,0]=4 17000 B12R1.28 COCC#Cc1cccc(c1)Br 34a_100009814051_200000210301 [0,2,0,0,0,0|0,0,2]=4 17001 B12R1.28 COCC#Cc1cccc(c1)Br 34a_100138415774_100010706776 [0,2,0,0,0,0|0,0,2]=4 17002 B12R1.28 COCC#Cc1cccc(c1)Br 7a_100009814051_200000210301 [0,2,0,0,0,0|0,0,2]=4 17003 B12R1.28 COCC#Cc1cccc(c1)Cl 34a_100011218842_200000210301 [0,2,0,0,0,0|0,0,2]=4 17004 B12R1.28 COCC#Cc1cccc(c1)Cl 7a_100011218842_200000210301 [0,2,0,0,0,0|0,0,2]=4 17005 B12R1.28 COCC#Cc1cccc(c1)F 34a_100011219115_200000210301 [0,2,0,0,0,0|0,0,2]=4 17006 B12R1.28 COCC#Cc1cccc(c1)F 34a_100138415774_100010402994 [0,2,0,0,0,0|0,0,2]=4 17007 B12R1.28 COCC#Cc1cccc(c1)F 7a_100011219115_200000210301 [0,2,0,0,0,0|0,0,2]=4 17008 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [0,2,0,0,0,0|0,0,2]=4 17009 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [0,2,0,0,0,0|0,0,2]=4 17010 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [0,2,0,0,0,0|0,0,2]=4 17011 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [0,2,0,0,0,0|0,0,2]=4 17012 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [0,2,0,0,0,0|0,0,2]=4 17013 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [0,2,0,0,0,0|0,0,2]=4 17014 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [0,2,0,0,0,0|0,0,2]=4 17015 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,2,0,0,0,0|0,0,0]=2 17016 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,2,0,0,0,0|0,0,0]=2 17017 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,2,0,0,0,0|0,0,0]=2 17018 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,2,0,0,0,0|0,0,0]=2 17019 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,2,0,0,0,0|0,0,0]=2 17020 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,2,0,0,0,0|0,0,0]=2 17021 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,2,0,0,0,0|0,0,0]=2 17022 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,2,0,0,0,0|0,0,0]=2 17023 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [0,2,0,0,0,0|1,0,0]=3 17024 B12R1.28 COCCNc1cc(ccn1)F 27a_100000209980_100000764206 [0,2,0,0,0,0|2,0,0]=4 17025 B12R1.28 COCCNc1cc[nH]c(=O)c1 27a_100000209980_100000061649 [0,2,0,0,0,0|2,0,0]=4 17026 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [0,2,0,0,0,0|1,0,0]=3 17027 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [0,2,0,0,0,0|1,0,0]=3 17028 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [0,2,0,0,0,0|1,0,0]=3 17029 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [0,2,0,0,0,0|1,0,0]=3 17030 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [0,2,0,0,0,0|1,0,0]=3 17031 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [0,2,0,0,0,0|1,0,0]=3 17032 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [0,2,0,0,0,0|1,0,0]=3 17033 B12R1.28 COCCNc1cccc(n1)F 27a_100000209980_100009815982 [0,2,0,0,0,0|2,0,0]=4 17034 B12R1.28 COCCNc1cccc(n1)F 34a_200011432718_200000210301 [0,2,0,0,0,0|2,0,0]=4 17035 B12R1.28 COCCNc1ccnc(c1)C 27a_100000209980_100000758586 [0,2,0,0,0,0|2,0,0]=4 17036 B12R1.28 COCCNc1ccnc(c1)F 27a_100000209980_100009816116 [0,2,0,0,0,0|2,0,0]=4 17037 B12R1.28 COCCOc1cc(ccn1)O 271570a_203496583355_200010734593 [0,2,0,0,0,0|2,0,0]=4 17038 B12R1.28 COCCOc1cc[nH]c(=O)c1 34a_100000032262_100011201679 [0,2,0,0,0,0|2,0,0]=4 17039 B12R1.28 COCCOc1ccc[n+](c1)[O-] 34a_100000039713_100011201679 [0,2,0,0,0,0|2,0,0]=4 17040 B12R1.28 COCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000233755 [0,2,0,0,0,0|2,0,0]=4 17041 B12R1.28 COCCOc1cccc(=O)[nH]1 34a_100000033347_100011201679 [0,2,0,0,0,0|2,0,0]=4 17042 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,2,0,0,0,0|1,0,0]=3 17043 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,2,0,0,0,0|1,0,0]=3 17044 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,2,0,0,0,0|1,0,0]=3 17045 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,2,0,0,0,0|1,0,0]=3 17046 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,2,0,0,0,0|1,0,0]=3 17047 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,2,0,0,0,0|1,0,0]=3 17048 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,2,0,0,0,0|1,0,0]=3 17049 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,2,0,0,0,0|1,0,0]=3 17050 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,2,0,0,0,0|1,0,0]=3 17051 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,2,0,0,0,0|1,0,0]=3 17052 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,2,0,0,0,0|1,0,0]=3 17053 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,2,0,0,0,0|1,0,0]=3 17054 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,2,0,0,0,0|1,0,0]=3 17055 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,2,0,0,0,0|1,0,0]=3 17056 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,2,0,0,0,0|1,0,0]=3 17057 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,2,0,0,0,0|1,0,0]=3 17058 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,2,0,0,0,0|1,0,0]=3 17059 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,2,0,0,0,0|1,0,0]=3 17060 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,2,0,0,0,0|1,0,0]=3 17061 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,2,0,0,0,0|1,0,0]=3 17062 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,2,0,0,0,0|1,0,0]=3 17063 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,2,0,0,0,0|1,0,0]=3 17064 B12R1.28 COCCOc1cccc(n1)F 34a_100011432558_100011201679 [0,2,0,0,0,0|2,0,0]=4 17065 B12R1.28 COCCOc1ccnc(c1)C 34a_100000688365_100011201679 [0,2,0,0,0,0|2,0,0]=4 17066 B12R1.28 COCCOc1ccnc(c1)Cl 34a_100000762945_100011201679 [0,2,0,0,0,0|2,0,0]=4 17067 B12R1.28 COCCOc1ccnc(c1)F 34a_100000732698_100011201679 [0,2,0,0,0,0|2,0,0]=4 17068 B12R1.28 COCCOc1ccnc(c1)N 34a_100011834064_100011201679 [0,2,0,0,0,0|2,0,0]=4 17069 B12R1.28 COCCOc1cncc(c1)Br 34a_100000754920_100011201679 [0,2,0,0,0,0|2,0,0]=4 17070 B12R1.28 COCCOc1cncc(c1)Br 7a_100000754920_100000233755 [0,2,0,0,0,0|2,0,0]=4 17071 B12R1.28 COCCOc1cncc(c1)C 34a_100011830280_100011201679 [0,2,0,0,0,0|2,0,0]=4 17072 B12R1.28 COCCOc1cncc(c1)C 7a_100011830280_100000233755 [0,2,0,0,0,0|2,0,0]=4 17073 B12R1.28 COCCOc1cncc(c1)Cl 7a_100000032511_100000233755 [0,2,0,0,0,0|2,0,0]=4 17074 B12R1.28 COCCOc1cncc(c1)F 34a_100011830296_100011201679 [0,2,0,0,0,0|2,0,0]=4 17075 B12R1.28 COCCOc1cncc(c1)F 7a_100011830296_100000233755 [0,2,0,0,0,0|2,0,0]=4 17076 B12R1.28 COCCOc1cncc(c1)N 34a_100011997051_100011201679 [0,2,0,0,0,0|2,0,0]=4 17077 B12R1.28 COCCSc1cc(=O)cc[nH]1 62a_100009817434_100000233755 [0,2,0,0,0,0|2,0,0]=4 17078 B12R1.28 COCCSc1cc(ccn1)C 62a_100000233755_100000750283 [0,2,0,0,0,0|2,0,0]=4 17079 B12R1.28 COCCSc1cc(ccn1)C 62a_100000750283_100000233755 [0,2,0,0,0,0|2,0,0]=4 17080 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100000233755_100010167805 [0,2,0,0,0,0|2,0,0]=4 17081 B12R1.28 COCCSc1cc(ccn1)Cl 62a_100010167805_100000233755 [0,2,0,0,0,0|2,0,0]=4 17082 B12R1.28 COCCSc1cc(ccn1)F 62a_100000233755_100000764206 [0,2,0,0,0,0|2,0,0]=4 17083 B12R1.28 COCCSc1cc(ccn1)F 62a_100000764206_100000233755 [0,2,0,0,0,0|2,0,0]=4 17084 B12R1.28 COCCSc1cc(ccn1)N 62a_100000233755_100009814236 [0,2,0,0,0,0|2,0,0]=4 17085 B12R1.28 COCCSc1cc(ccn1)N 62a_100009814236_100000233755 [0,2,0,0,0,0|2,0,0]=4 17086 B12R1.28 COCCSc1cc(ccn1)O 62a_100000233755_100000762945 [0,2,0,0,0,0|2,0,0]=4 17087 B12R1.28 COCCSc1cc[nH]c(=O)c1 62a_100000233755_100009816521 [0,2,0,0,0,0|2,0,0]=4 17088 B12R1.28 COCCSc1cc[nH]c(=O)c1 62a_100009816521_100000233755 [0,2,0,0,0,0|2,0,0]=4 17089 B12R1.28 COCCSc1ccc[n+](c1)C 62a_100000233755_100009996589 [0,2,0,0,0,0|2,0,0]=4 17090 B12R1.28 COCCSc1ccc[n+](c1)C 62a_100009996589_100000233755 [0,2,0,0,0,0|2,0,0]=4 17091 B12R1.28 COCCSc1ccc[n+](c1)[O-] 62a_100000233755_100009815978 [0,2,0,0,0,0|2,0,0]=4 17092 B12R1.28 COCCSc1cccc(=O)[nH]1 62a_100000233755_100000752884 [0,2,0,0,0,0|2,0,0]=4 17093 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [0,2,0,0,0,0|1,0,0]=3 17094 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [0,2,0,0,0,0|1,0,0]=3 17095 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [0,2,0,0,0,0|1,0,0]=3 17096 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [0,2,0,0,0,0|1,0,0]=3 17097 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [0,2,0,0,0,0|1,0,0]=3 17098 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [0,2,0,0,0,0|1,0,0]=3 17099 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [0,2,0,0,0,0|1,0,0]=3 17100 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [0,2,0,0,0,0|1,0,0]=3 17101 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [0,2,0,0,0,0|1,0,0]=3 17102 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [0,2,0,0,0,0|1,0,0]=3 17103 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [0,2,0,0,0,0|1,0,0]=3 17104 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [0,2,0,0,0,0|1,0,0]=3 17105 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [0,2,0,0,0,0|1,0,0]=3 17106 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [0,2,0,0,0,0|1,0,0]=3 17107 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [0,2,0,0,0,0|1,0,0]=3 17108 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [0,2,0,0,0,0|1,0,0]=3 17109 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [0,2,0,0,0,0|1,0,0]=3 17110 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [0,2,0,0,0,0|1,0,0]=3 17111 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [0,2,0,0,0,0|1,0,0]=3 17112 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [0,2,0,0,0,0|1,0,0]=3 17113 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [0,2,0,0,0,0|1,0,0]=3 17114 B12R1.28 COCCSc1cccc(n1)Br 62a_100000233755_100000684672 [0,2,0,0,0,0|2,0,0]=4 17115 B12R1.28 COCCSc1cccc(n1)Br 62a_100000684672_100000233755 [0,2,0,0,0,0|2,0,0]=4 17116 B12R1.28 COCCSc1cccc(n1)C 62a_100000233755_100000742759 [0,2,0,0,0,0|2,0,0]=4 17117 B12R1.28 COCCSc1cccc(n1)C 62a_100000742759_100000233755 [0,2,0,0,0,0|2,0,0]=4 17118 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000051397_100000233755 [0,2,0,0,0,0|2,0,0]=4 17119 B12R1.28 COCCSc1cccc(n1)Cl 62a_100000233755_100000051397 [0,2,0,0,0,0|2,0,0]=4 17120 B12R1.28 COCCSc1cccc(n1)F 62a_100000233755_100009815982 [0,2,0,0,0,0|2,0,0]=4 17121 B12R1.28 COCCSc1cccc(n1)F 62a_100009815982_100000233755 [0,2,0,0,0,0|2,0,0]=4 17122 B12R1.28 COCCSc1cccc(n1)N 62a_100000233755_100000740741 [0,2,0,0,0,0|2,0,0]=4 17123 B12R1.28 COCCSc1cccc(n1)N 62a_100000740741_100000233755 [0,2,0,0,0,0|2,0,0]=4 17124 B12R1.28 COCCSc1ccnc(c1)Br 62a_100000233755_100009814637 [0,2,0,0,0,0|2,0,0]=4 17125 B12R1.28 COCCSc1ccnc(c1)Br 62a_100009814637_100000233755 [0,2,0,0,0,0|2,0,0]=4 17126 B12R1.28 COCCSc1ccnc(c1)C 62a_100000233755_100000758586 [0,2,0,0,0,0|2,0,0]=4 17127 B12R1.28 COCCSc1ccnc(c1)C 62a_100000758586_100000233755 [0,2,0,0,0,0|2,0,0]=4 17128 B12R1.28 COCCSc1ccnc(c1)Cl 62a_100000035001_100000233755 [0,2,0,0,0,0|2,0,0]=4 17129 B12R1.28 COCCSc1ccnc(c1)Cl 62a_100000233755_100000035001 [0,2,0,0,0,0|2,0,0]=4 17130 B12R1.28 COCCSc1ccnc(c1)F 62a_100000233755_100009816116 [0,2,0,0,0,0|2,0,0]=4 17131 B12R1.28 COCCSc1ccnc(c1)F 62a_100009816116_100000233755 [0,2,0,0,0,0|2,0,0]=4 17132 B12R1.28 COCCSc1ccnc(c1)N 62a_100000049665_100000233755 [0,2,0,0,0,0|2,0,0]=4 17133 B12R1.28 COCCSc1ccnc(c1)N 62a_100000233755_100000049665 [0,2,0,0,0,0|2,0,0]=4 17134 B12R1.28 COCCSc1cncc(c1)Br 62a_100000233755_100000728054 [0,2,0,0,0,0|2,0,0]=4 17135 B12R1.28 COCCSc1cncc(c1)Br 62a_100000728054_100000233755 [0,2,0,0,0,0|2,0,0]=4 17136 B12R1.28 COCCSc1cncc(c1)C 62a_100000233755_100000760492 [0,2,0,0,0,0|2,0,0]=4 17137 B12R1.28 COCCSc1cncc(c1)C 62a_100000760492_100000233755 [0,2,0,0,0,0|2,0,0]=4 17138 B12R1.28 COCCSc1cncc(c1)Cl 62a_100000049639_100000233755 [0,2,0,0,0,0|2,0,0]=4 17139 B12R1.28 COCCSc1cncc(c1)Cl 62a_100000233755_100000049639 [0,2,0,0,0,0|2,0,0]=4 17140 B12R1.28 COCCSc1cncc(c1)F 62a_100000233755_100000744099 [0,2,0,0,0,0|2,0,0]=4 17141 B12R1.28 COCCSc1cncc(c1)F 62a_100000744099_100000233755 [0,2,0,0,0,0|2,0,0]=4 17142 B12R1.28 COCCSc1cncc(c1)N 62a_100000233755_100000687067 [0,2,0,0,0,0|2,0,0]=4 17143 B12R1.28 COCCSc1cncc(c1)N 62a_100000687067_100000233755 [0,2,0,0,0,0|2,0,0]=4 17144 B12R1.28 COCCSc1cncc(c1)O 62a_100000233755_100000754920 [0,2,0,0,0,0|2,0,0]=4 17145 B12R1.28 COCCSc1cncc(c1)O 62a_100000754920_100000233755 [0,2,0,0,0,0|2,0,0]=4 17146 B12R1.28 COCNCc1cccc(=O)[nH]1 2230a_100000696482_100000766300 [0,2,0,0,0,0|2,0,0]=4 17147 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,2,0,0,0,0|1,0,0]=3 17148 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,2,0,0,0,0|1,0,0]=3 17149 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,2,0,0,0,0|1,0,0]=3 17150 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,2,0,0,0,0|1,0,0]=3 17151 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,2,0,0,0,0|1,0,0]=3 17152 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,2,0,0,0,0|1,0,0]=3 17153 B12R1.28 COCNCc1cccc(n1)Br 2230a_100016987751_100000766300 [0,2,0,0,0,0|2,0,0]=4 17154 B12R1.28 COCNCc1cccc(n1)Cl 2230a_100016990191_100000766300 [0,2,0,0,0,0|2,0,0]=4 17155 B12R1.28 COCNCc1cccc(n1)F 2230a_100015188798_100000766300 [0,2,0,0,0,0|2,0,0]=4 17156 B12R1.28 COCNCc1ccnc(c1)Br 2230a_100025757509_100000766300 [0,2,0,0,0,0|2,0,0]=4 17157 B12R1.28 COCNCc1ccnc(c1)Cl 2230a_100015205668_100000766300 [0,2,0,0,0,0|2,0,0]=4 17158 B12R1.28 COCNCc1ccnc(c1)F 2230a_100015188774_100000766300 [0,2,0,0,0,0|2,0,0]=4 17159 B12R1.28 COCNCc1cncc(c1)C 2230a_100000692839_100000766300 [0,2,0,0,0,0|2,0,0]=4 17160 B12R1.28 COCNCc1cncc(c1)Cl 2230a_200020614424_100000766300 [0,2,0,0,0,0|2,0,0]=4 17161 B12R1.28 COCNCc1cncc(c1)F 2230a_100011962886_100000766300 [0,2,0,0,0,0|2,0,0]=4 17162 B12R1.28 COCSCc1cc(ccn1)Br 62a_100000766300_100010173614 [0,2,0,0,0,0|2,0,0]=4 17163 B12R1.28 COCSCc1cc(ccn1)Br 62a_100010173614_100000766300 [0,2,0,0,0,0|2,0,0]=4 17164 B12R1.28 COCSCc1cc(ccn1)C 62a_100000718516_100000766300 [0,2,0,0,0,0|2,0,0]=4 17165 B12R1.28 COCSCc1cc(ccn1)C 62a_100000766300_100000718516 [0,2,0,0,0,0|2,0,0]=4 17166 B12R1.28 COCSCc1cc(ccn1)Cl 62a_100000766300_100016988179 [0,2,0,0,0,0|2,0,0]=4 17167 B12R1.28 COCSCc1cc(ccn1)Cl 62a_100016988179_100000766300 [0,2,0,0,0,0|2,0,0]=4 17168 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [0,2,0,0,0,0|1,0,0]=3 17169 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [0,2,0,0,0,0|1,0,0]=3 17170 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [0,2,0,0,0,0|1,0,0]=3 17171 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [0,2,0,0,0,0|1,0,0]=3 17172 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [0,2,0,0,0,0|1,0,0]=3 17173 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [0,2,0,0,0,0|1,0,0]=3 17174 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [0,2,0,0,0,0|1,0,0]=3 17175 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [0,2,0,0,0,0|1,0,0]=3 17176 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [0,2,0,0,0,0|1,0,0]=3 17177 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [0,2,0,0,0,0|1,0,0]=3 17178 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [0,2,0,0,0,0|1,0,0]=3 17179 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [0,2,0,0,0,0|1,0,0]=3 17180 B12R1.28 COCSCc1cccc(n1)Br 62a_100000766300_100009889011 [0,2,0,0,0,0|2,0,0]=4 17181 B12R1.28 COCSCc1cccc(n1)Br 62a_100009889011_100000766300 [0,2,0,0,0,0|2,0,0]=4 17182 B12R1.28 COCSCc1cccc(n1)C 62a_100000757606_100000766300 [0,2,0,0,0,0|2,0,0]=4 17183 B12R1.28 COCSCc1cccc(n1)C 62a_100000766300_100000757606 [0,2,0,0,0,0|2,0,0]=4 17184 B12R1.28 COCSCc1cccc(n1)Cl 62a_100000086093_100000766300 [0,2,0,0,0,0|2,0,0]=4 17185 B12R1.28 COCSCc1cccc(n1)Cl 62a_100000766300_100000086093 [0,2,0,0,0,0|2,0,0]=4 17186 B12R1.28 COCSCc1cccc(n1)F 62a_100000766300_100009819644 [0,2,0,0,0,0|2,0,0]=4 17187 B12R1.28 COCSCc1cccc(n1)F 62a_100009819644_100000766300 [0,2,0,0,0,0|2,0,0]=4 17188 B12R1.28 COCSCc1ccnc(c1)Br 62a_100000766300_100010243470 [0,2,0,0,0,0|2,0,0]=4 17189 B12R1.28 COCSCc1ccnc(c1)Br 62a_100010254460_100000766300 [0,2,0,0,0,0|2,0,0]=4 17190 B12R1.28 COCSCc1ccnc(c1)C 62a_100000766300_200020672517 [0,2,0,0,0,0|2,0,0]=4 17191 B12R1.28 COCSCc1ccnc(c1)C 62a_200020672517_100000766300 [0,2,0,0,0,0|2,0,0]=4 17192 B12R1.28 COCSCc1ccnc(c1)Cl 62a_100000764220_100000766300 [0,2,0,0,0,0|2,0,0]=4 17193 B12R1.28 COCSCc1ccnc(c1)Cl 62a_100000766300_100000764220 [0,2,0,0,0,0|2,0,0]=4 17194 B12R1.28 COCSCc1cncc(c1)Br 62a_100000738771_100000766300 [0,2,0,0,0,0|2,0,0]=4 17195 B12R1.28 COCSCc1cncc(c1)Br 62a_100000766300_100000738771 [0,2,0,0,0,0|2,0,0]=4 17196 B12R1.28 COCSCc1cncc(c1)C 62a_100000716715_100000766300 [0,2,0,0,0,0|2,0,0]=4 17197 B12R1.28 COCSCc1cncc(c1)C 62a_100000766300_100000716715 [0,2,0,0,0,0|2,0,0]=4 17198 B12R1.28 COCSCc1cncc(c1)Cl 62a_100000766300_100016992070 [0,2,0,0,0,0|2,0,0]=4 17199 B12R1.28 COCSCc1cncc(c1)Cl 62a_100016992070_100000766300 [0,2,0,0,0,0|2,0,0]=4 17200 B12R1.28 COCSCc1cncc(c1)F 62a_100000725299_100000766300 [0,2,0,0,0,0|2,0,0]=4 17201 B12R1.28 COCSCc1cncc(c1)F 62a_100000766300_100000725299 [0,2,0,0,0,0|2,0,0]=4 17202 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,2,0,0,0,0|0,1,0]=3 17203 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,2,0,0,0,0|0,1,0]=3 17204 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,2,0,0,0,0|0,1,0]=3 17205 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,2,0,0,0,0|0,1,0]=3 17206 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [0,2,0,0,0,0|1,1,0]=4 17207 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [0,2,0,0,0,0|1,1,0]=4 17208 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [0,2,0,0,0,0|1,1,0]=4 17209 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [0,2,0,0,0,0|1,1,0]=4 17210 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [0,2,0,0,0,0|1,1,0]=4 17211 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [0,2,0,0,0,0|1,1,0]=4 17212 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [0,2,0,0,0,0|1,1,0]=4 17213 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,2,0,0,0,0|1,1,0]=4 17214 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,2,0,0,0,0|1,1,0]=4 17215 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,2,0,0,0,0|1,1,0]=4 17216 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,2,0,0,0,0|1,1,0]=4 17217 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,2,0,0,0,0|1,1,0]=4 17218 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,2,0,0,0,0|1,1,0]=4 17219 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,2,0,0,0,0|1,1,0]=4 17220 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,2,0,0,0,0|1,1,0]=4 17221 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,2,0,0,0,0|1,1,0]=4 17222 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,2,0,0,0,0|1,1,0]=4 17223 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,2,0,0,0,0|1,1,0]=4 17224 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,2,0,0,0,0|1,1,0]=4 17225 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,2,0,0,0,0|1,1,0]=4 17226 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,2,0,0,0,0|1,1,0]=4 17227 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,2,0,0,0,0|1,1,0]=4 17228 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,2,0,0,0,0|1,1,0]=4 17229 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,2,0,0,0,0|1,1,0]=4 17230 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [0,2,0,0,0,0|1,1,0]=4 17231 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [0,2,0,0,0,0|1,1,0]=4 17232 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [0,2,0,0,0,0|1,1,0]=4 17233 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [0,2,0,0,0,0|1,1,0]=4 17234 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [0,2,0,0,0,0|1,1,0]=4 17235 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [0,2,0,0,0,0|1,1,0]=4 17236 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [0,2,0,0,0,0|1,1,0]=4 17237 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [0,2,0,0,0,0|1,1,0]=4 17238 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [0,2,0,0,0,0|1,1,0]=4 17239 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [0,2,0,0,0,0|1,1,0]=4 17240 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [0,2,0,0,0,0|1,1,0]=4 17241 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [0,2,0,0,0,0|1,1,0]=4 17242 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [0,2,0,0,0,0|1,1,0]=4 17243 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [0,2,0,0,0,0|1,1,0]=4 17244 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [0,2,0,0,0,0|1,1,0]=4 17245 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [0,2,0,0,0,0|1,1,0]=4 17246 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [0,2,0,0,0,0|1,1,0]=4 17247 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [0,2,0,0,0,0|1,1,0]=4 17248 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [0,2,0,0,0,0|1,1,0]=4 17249 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [0,2,0,0,0,0|1,1,0]=4 17250 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [0,2,0,0,0,0|1,1,0]=4 17251 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [0,2,0,0,0,0|1,1,0]=4 17252 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [0,2,0,0,0,0|1,1,0]=4 17253 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [0,2,0,0,0,0|1,1,0]=4 17254 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [0,2,0,0,0,0|1,1,0]=4 17255 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,2,0,0,0,0|1,1,0]=4 17256 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,2,0,0,0,0|1,1,0]=4 17257 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,2,0,0,0,0|1,1,0]=4 17258 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,2,0,0,0,0|1,1,0]=4 17259 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,2,0,0,0,0|1,1,0]=4 17260 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,2,0,0,0,0|1,1,0]=4 17261 B12R1.28 CSCSCc1cccc(c1)Br 62a_100000211773_100011218213 [0,2,0,0,0,0|1,1,0]=4 17262 B12R1.28 CSCSCc1cccc(c1)Br 62a_100011218213_100000211773 [0,2,0,0,0,0|1,1,0]=4 17263 B12R1.28 CSCSCc1cccc(c1)C 62a_100000211840_100011218213 [0,2,0,0,0,0|1,1,0]=4 17264 B12R1.28 CSCSCc1cccc(c1)C 62a_100011218213_100000211840 [0,2,0,0,0,0|1,1,0]=4 17265 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100000187163_100011218213 [0,2,0,0,0,0|1,1,0]=4 17266 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100011218213_100000187163 [0,2,0,0,0,0|1,1,0]=4 17267 B12R1.28 CSCSCc1cccc(c1)F 62a_100000230114_100011218213 [0,2,0,0,0,0|1,1,0]=4 17268 B12R1.28 CSCSCc1cccc(c1)F 62a_100011218213_100000230114 [0,2,0,0,0,0|1,1,0]=4 17269 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218213_100011218688 [0,2,0,0,0,0|1,1,0]=4 17270 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218688_100011218213 [0,2,0,0,0,0|1,1,0]=4 17271 B12R1.28 CSCSCc1cccc(c1)O 62a_100011218213_100011660834 [0,2,0,0,0,0|1,1,0]=4 17272 B12R1.28 CSCSCc1cccc(c1)O 62a_100011660834_100011218213 [0,2,0,0,0,0|1,1,0]=4 17273 B12R1.28 C[n+]1cccc(c1)SCCCF 62a_100009996589_100011934791 [0,2,0,0,0,0|2,0,0]=4 17274 B12R1.28 C[n+]1cccc(c1)SCCCF 62a_100011934791_100009996589 [0,2,0,0,0,0|2,0,0]=4 17275 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100009996589_100011215043 [0,2,0,0,0,0|1,0,0]=3 17276 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100011215043_100009996589 [0,2,0,0,0,0|1,0,0]=3 17277 B12R1.28 Cc1cc(ccn1)CNCCF 34a_100000724931_200020672517 [0,2,0,0,0,0|2,0,0]=4 17278 B12R1.28 Cc1cc(ccn1)CNCCF 34a_100011934566_100011217306 [0,2,0,0,0,0|2,0,0]=4 17279 B12R1.28 Cc1cc(ccn1)CNCCO 207a_100000210304_100011361630 [0,2,0,0,0,0|1,0,0]=3 17280 B12R1.28 Cc1cc(ccn1)CNCCO 2230a_100016997473_200020672517 [0,2,0,0,0,0|1,0,0]=3 17281 B12R1.28 Cc1cc(ccn1)CNCCO 270004a_100000210304_100011361630 [0,2,0,0,0,0|1,0,0]=3 17282 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100011934566_100000211926 [0,2,0,0,0,0|1,0,0]=3 17283 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100016990907_200020672517 [0,2,0,0,0,0|1,0,0]=3 17284 B12R1.28 Cc1cc(ccn1)COCCBr 34a_100000211926_200020672517 [0,2,0,0,0,0|2,0,0]=4 17285 B12R1.28 Cc1cc(ccn1)COCCF 34a_100011998630_100011217306 [0,2,0,0,0,0|2,0,0]=4 17286 B12R1.28 Cc1cc(ccn1)COCCN 34a_100000210304_200020672517 [0,2,0,0,0,0|2,0,0]=4 17287 B12R1.28 Cc1cc(ccn1)COCCO 34a_100011998630_100000211926 [0,2,0,0,0,0|1,0,0]=3 17288 B12R1.28 Cc1cc(ccn1)CSCCF 62a_100011217306_200020672517 [0,2,0,0,0,0|2,0,0]=4 17289 B12R1.28 Cc1cc(ccn1)CSCCF 62a_200020672517_100011217306 [0,2,0,0,0,0|2,0,0]=4 17290 B12R1.28 Cc1cc(ccn1)CSCCO 62a_100000211926_200020672517 [0,2,0,0,0,0|1,0,0]=3 17291 B12R1.28 Cc1cc(ccn1)CSCCO 62a_200020672517_100000211926 [0,2,0,0,0,0|1,0,0]=3 17292 B12R1.28 Cc1cc(ccn1)NCCCF 27a_100015189416_100000758586 [0,2,0,0,0,0|2,0,0]=4 17293 B12R1.28 Cc1cc(ccn1)NCCCO 27a_100000182051_100000758586 [0,2,0,0,0,0|1,0,0]=3 17294 B12R1.28 Cc1cc(ccn1)OCCCF 34a_100000688365_100011934791 [0,2,0,0,0,0|2,0,0]=4 17295 B12R1.28 Cc1cc(ccn1)OCCCO 34a_100000688365_100000230001 [0,2,0,0,0,0|1,0,0]=3 17296 B12R1.28 Cc1cc(ccn1)SCCCF 62a_100000758586_100011934791 [0,2,0,0,0,0|2,0,0]=4 17297 B12R1.28 Cc1cc(ccn1)SCCCF 62a_100011934791_100000758586 [0,2,0,0,0,0|2,0,0]=4 17298 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100000758586_100011215043 [0,2,0,0,0,0|1,0,0]=3 17299 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100011215043_100000758586 [0,2,0,0,0,0|1,0,0]=3 17300 B12R1.28 Cc1cc(ncn1)NCCCO 27a_100000182051_100000744208 [0,2,0,0,0,0|2,0,0]=4 17301 B12R1.28 Cc1cc(ncn1)SCCCO 62a_100000744208_100011215043 [0,2,0,0,0,0|2,0,0]=4 17302 B12R1.28 Cc1cc(ncn1)SCCCO 62a_100011215043_100000744208 [0,2,0,0,0,0|2,0,0]=4 17303 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,2,0,0,0,0|1,0,0]=3 17304 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,2,0,0,0,0|1,0,0]=3 17305 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [0,2,0,0,0,0|1,0,0]=3 17306 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [0,2,0,0,0,0|1,0,0]=3 17307 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [0,2,0,0,0,0|1,0,0]=3 17308 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [0,2,0,0,0,0|1,0,0]=3 17309 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [0,2,0,0,0,0|1,0,0]=3 17310 B12R1.28 Cc1cccc(c1)CNCC#N 2230a_100000185548_100011215382 [0,2,0,0,0,0|1,0,1]=4 17311 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [0,2,0,0,0,0|0,0,2]=4 17312 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [0,2,0,0,0,0|0,0,2]=4 17313 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [0,2,0,0,0,0|1,0,0]=3 17314 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [0,2,0,0,0,0|1,0,0]=3 17315 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [0,2,0,0,0,0|1,0,0]=3 17316 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,2,0,0,0,0|0,0,0]=2 17317 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,2,0,0,0,0|0,0,0]=2 17318 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,2,0,0,0,0|0,0,0]=2 17319 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,2,0,0,0,0|0,0,0]=2 17320 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,2,0,0,0,0|0,0,0]=2 17321 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,2,0,0,0,0|0,0,0]=2 17322 B12R1.28 Cc1cccc(c1)COCC#N 7a_100011217746_100011215382 [0,2,0,0,0,0|1,0,1]=4 17323 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,2,0,0,0,0|0,0,2]=4 17324 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,2,0,0,0,0|0,0,2]=4 17325 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [0,2,0,0,0,0|1,0,0]=3 17326 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [0,2,0,0,0,0|1,0,0]=3 17327 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [0,2,0,0,0,0|1,0,0]=3 17328 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,2,0,0,0,0|1,0,0]=3 17329 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,2,0,0,0,0|0,0,0]=2 17330 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,2,0,0,0,0|0,0,0]=2 17331 B12R1.28 Cc1cccc(c1)CSCC#N 62a_100000211840_100011215382 [0,2,0,0,0,0|1,0,1]=4 17332 B12R1.28 Cc1cccc(c1)CSCC#N 62a_100011215382_100000211840 [0,2,0,0,0,0|1,0,1]=4 17333 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [0,2,0,0,0,0|0,0,2]=4 17334 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [0,2,0,0,0,0|0,0,2]=4 17335 B12R1.28 Cc1cccc(c1)CSCCF 62a_100000211840_100011217306 [0,2,0,0,0,0|1,0,0]=3 17336 B12R1.28 Cc1cccc(c1)CSCCF 62a_100011217306_100000211840 [0,2,0,0,0,0|1,0,0]=3 17337 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [0,2,0,0,0,0|0,0,0]=2 17338 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [0,2,0,0,0,0|0,0,0]=2 17339 B12R1.28 Cc1cccc(c1)NCCC#N 2230a_100000188690_100011215226 [0,2,0,0,0,0|1,0,1]=4 17340 B12R1.28 Cc1cccc(c1)NCCCF 2230a_100000188690_100011934791 [0,2,0,0,0,0|1,0,0]=3 17341 B12R1.28 Cc1cccc(c1)NCCCF 34a_100000188690_100011934791 [0,2,0,0,0,0|1,0,0]=3 17342 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [0,2,0,0,0,0|0,0,0]=2 17343 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [0,2,0,0,0,0|0,0,0]=2 17344 B12R1.28 Cc1cccc(c1)OCCC#N 7a_100000210337_100000184422 [0,2,0,0,0,0|1,0,1]=4 17345 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [0,2,0,0,0,0|1,0,0]=3 17346 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [0,2,0,0,0,0|1,0,0]=3 17347 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,2,0,0,0,0|0,0,0]=2 17348 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,2,0,0,0,0|0,0,0]=2 17349 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,2,0,0,0,0|2,0,0]=4 17350 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,2,0,0,0,0|2,0,0]=4 17351 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,2,0,0,0,0|1,0,0]=3 17352 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,2,0,0,0,0|1,0,0]=3 17353 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215226_100011215228 [0,2,0,0,0,0|1,0,1]=4 17354 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215228_100011215226 [0,2,0,0,0,0|1,0,1]=4 17355 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011215228_100011934791 [0,2,0,0,0,0|1,0,0]=3 17356 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011934791_100011215228 [0,2,0,0,0,0|1,0,0]=3 17357 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [0,2,0,0,0,0|0,0,0]=2 17358 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [0,2,0,0,0,0|0,0,0]=2 17359 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [0,2,0,0,0,0|1,0,0]=3 17360 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [0,2,0,0,0,0|1,0,0]=3 17361 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [0,2,0,0,0,0|1,0,0]=3 17362 B12R1.28 Cc1cccc(n1)CCNCF 34a_100011824523_100015361967 [0,2,0,0,0,0|2,0,0]=4 17363 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000701342_100011217306 [0,2,0,0,0,0|2,0,0]=4 17364 B12R1.28 Cc1cccc(n1)CNCCF 34a_100000724931_100000757606 [0,2,0,0,0,0|2,0,0]=4 17365 B12R1.28 Cc1cccc(n1)CNCCO 207a_100000210304_100011215050 [0,2,0,0,0,0|1,0,0]=3 17366 B12R1.28 Cc1cccc(n1)CNCCO 2230a_100016997473_100000757606 [0,2,0,0,0,0|1,0,0]=3 17367 B12R1.28 Cc1cccc(n1)CNCCO 270004a_100000210304_100011215050 [0,2,0,0,0,0|1,0,0]=3 17368 B12R1.28 Cc1cccc(n1)CNCCO 34a_100000701342_100000211926 [0,2,0,0,0,0|1,0,0]=3 17369 B12R1.28 Cc1cccc(n1)CNCCO 34a_100016990907_100000757606 [0,2,0,0,0,0|1,0,0]=3 17370 B12R1.28 Cc1cccc(n1)COCCBr 34a_100000211926_100000757606 [0,2,0,0,0,0|2,0,0]=4 17371 B12R1.28 Cc1cccc(n1)COCCF 34a_100000690600_100011217306 [0,2,0,0,0,0|2,0,0]=4 17372 B12R1.28 Cc1cccc(n1)COCCN 34a_100000210304_100000757606 [0,2,0,0,0,0|2,0,0]=4 17373 B12R1.28 Cc1cccc(n1)COCCO 34a_100000690600_100000211926 [0,2,0,0,0,0|1,0,0]=3 17374 B12R1.28 Cc1cccc(n1)CSCCF 62a_100000757606_100011217306 [0,2,0,0,0,0|2,0,0]=4 17375 B12R1.28 Cc1cccc(n1)CSCCF 62a_100011217306_100000757606 [0,2,0,0,0,0|2,0,0]=4 17376 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000211926_100000757606 [0,2,0,0,0,0|1,0,0]=3 17377 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000757606_100000211926 [0,2,0,0,0,0|1,0,0]=3 17378 B12R1.28 Cc1cccc(n1)SCCCF 62a_100000742759_100011934791 [0,2,0,0,0,0|2,0,0]=4 17379 B12R1.28 Cc1cccc(n1)SCCCF 62a_100011934791_100000742759 [0,2,0,0,0,0|2,0,0]=4 17380 B12R1.28 Cc1cccc(n1)SCCCO 62a_100000742759_100011215043 [0,2,0,0,0,0|1,0,0]=3 17381 B12R1.28 Cc1cccc(n1)SCCCO 62a_100011215043_100000742759 [0,2,0,0,0,0|1,0,0]=3 17382 B12R1.28 Cc1ccnc(c1)CNCCF 34a_100000724931_100000718516 [0,2,0,0,0,0|2,0,0]=4 17383 B12R1.28 Cc1ccnc(c1)CNCCO 207a_100000210304_100011361488 [0,2,0,0,0,0|1,0,0]=3 17384 B12R1.28 Cc1ccnc(c1)CNCCO 2230a_100016997473_100000718516 [0,2,0,0,0,0|1,0,0]=3 17385 B12R1.28 Cc1ccnc(c1)CNCCO 270004a_100000210304_100011361488 [0,2,0,0,0,0|1,0,0]=3 17386 B12R1.28 Cc1ccnc(c1)CNCCO 34a_100016990907_100000718516 [0,2,0,0,0,0|1,0,0]=3 17387 B12R1.28 Cc1ccnc(c1)COCCBr 34a_100000211926_100000718516 [0,2,0,0,0,0|2,0,0]=4 17388 B12R1.28 Cc1ccnc(c1)COCCF 34a_100011998357_100011217306 [0,2,0,0,0,0|2,0,0]=4 17389 B12R1.28 Cc1ccnc(c1)COCCN 34a_100000210304_100000718516 [0,2,0,0,0,0|2,0,0]=4 17390 B12R1.28 Cc1ccnc(c1)COCCO 34a_100011998357_100000211926 [0,2,0,0,0,0|1,0,0]=3 17391 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100000718516_100011217306 [0,2,0,0,0,0|2,0,0]=4 17392 B12R1.28 Cc1ccnc(c1)CSCCF 62a_100011217306_100000718516 [0,2,0,0,0,0|2,0,0]=4 17393 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000211926_100000718516 [0,2,0,0,0,0|1,0,0]=3 17394 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000718516_100000211926 [0,2,0,0,0,0|1,0,0]=3 17395 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100000750283_100011934791 [0,2,0,0,0,0|2,0,0]=4 17396 B12R1.28 Cc1ccnc(c1)SCCCF 62a_100011934791_100000750283 [0,2,0,0,0,0|2,0,0]=4 17397 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100000750283_100011215043 [0,2,0,0,0,0|1,0,0]=3 17398 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100011215043_100000750283 [0,2,0,0,0,0|1,0,0]=3 17399 B12R1.28 Cc1ccnc(n1)CNCCO 2230a_100015186494_100000211926 [0,2,0,0,0,0|2,0,0]=4 17400 B12R1.28 Cc1ccnc(n1)NCCCO 27a_100000182051_100000750684 [0,2,0,0,0,0|2,0,0]=4 17401 B12R1.28 Cc1ccnc(n1)SCCCO 62a_100011215043_100011243806 [0,2,0,0,0,0|2,0,0]=4 17402 B12R1.28 Cc1ccnc(n1)SCCCO 62a_100011243806_100011215043 [0,2,0,0,0,0|2,0,0]=4 17403 B12R1.28 Cc1cncc(c1)CNCCF 2230a_100000692839_100011217306 [0,2,0,0,0,0|2,0,0]=4 17404 B12R1.28 Cc1cncc(c1)CNCCF 34a_100000692839_100011217306 [0,2,0,0,0,0|2,0,0]=4 17405 B12R1.28 Cc1cncc(c1)CNCCF 34a_100000724931_100000716715 [0,2,0,0,0,0|2,0,0]=4 17406 B12R1.28 Cc1cncc(c1)CNCCO 207a_100000210304_100011998712 [0,2,0,0,0,0|1,0,0]=3 17407 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100000692839_100000211926 [0,2,0,0,0,0|1,0,0]=3 17408 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100016997473_100000716715 [0,2,0,0,0,0|1,0,0]=3 17409 B12R1.28 Cc1cncc(c1)CNCCO 270004a_100000210304_100011998712 [0,2,0,0,0,0|1,0,0]=3 17410 B12R1.28 Cc1cncc(c1)CNCCO 34a_100000692839_100000211926 [0,2,0,0,0,0|1,0,0]=3 17411 B12R1.28 Cc1cncc(c1)CNCCO 34a_100016990907_100000716715 [0,2,0,0,0,0|1,0,0]=3 17412 B12R1.28 Cc1cncc(c1)COCCBr 34a_100000211926_100000716715 [0,2,0,0,0,0|2,0,0]=4 17413 B12R1.28 Cc1cncc(c1)COCCF 34a_100011998709_100011217306 [0,2,0,0,0,0|2,0,0]=4 17414 B12R1.28 Cc1cncc(c1)COCCF 7a_100011998709_100011217306 [0,2,0,0,0,0|2,0,0]=4 17415 B12R1.28 Cc1cncc(c1)COCCN 34a_100000210304_100000716715 [0,2,0,0,0,0|2,0,0]=4 17416 B12R1.28 Cc1cncc(c1)COCCO 34a_100011998709_100000211926 [0,2,0,0,0,0|1,0,0]=3 17417 B12R1.28 Cc1cncc(c1)COCCO 7a_100011998709_100000211926 [0,2,0,0,0,0|1,0,0]=3 17418 B12R1.28 Cc1cncc(c1)CSCCF 62a_100000716715_100011217306 [0,2,0,0,0,0|2,0,0]=4 17419 B12R1.28 Cc1cncc(c1)CSCCF 62a_100011217306_100000716715 [0,2,0,0,0,0|2,0,0]=4 17420 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000211926_100000716715 [0,2,0,0,0,0|1,0,0]=3 17421 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000716715_100000211926 [0,2,0,0,0,0|1,0,0]=3 17422 B12R1.28 Cc1cncc(c1)OCCCF 34a_100011830280_100011934791 [0,2,0,0,0,0|2,0,0]=4 17423 B12R1.28 Cc1cncc(c1)OCCCF 7a_100011830280_100011934791 [0,2,0,0,0,0|2,0,0]=4 17424 B12R1.28 Cc1cncc(c1)OCCCO 34a_100011830280_100000230001 [0,2,0,0,0,0|1,0,0]=3 17425 B12R1.28 Cc1cncc(c1)OCCCO 7a_100011830280_100011215043 [0,2,0,0,0,0|1,0,0]=3 17426 B12R1.28 Cc1cncc(c1)SCCCF 62a_100000760492_100011934791 [0,2,0,0,0,0|2,0,0]=4 17427 B12R1.28 Cc1cncc(c1)SCCCF 62a_100011934791_100000760492 [0,2,0,0,0,0|2,0,0]=4 17428 B12R1.28 Cc1cncc(c1)SCCCO 62a_100000760492_100011215043 [0,2,0,0,0,0|1,0,0]=3 17429 B12R1.28 Cc1cncc(c1)SCCCO 62a_100011215043_100000760492 [0,2,0,0,0,0|1,0,0]=3 17430 B12R1.28 Cc1cncc(n1)CNCCO 207a_100000210304_100000100294 [0,2,0,0,0,0|2,0,0]=4 17431 B12R1.28 Cc1cncc(n1)CNCCO 270004a_100000210304_100000100294 [0,2,0,0,0,0|2,0,0]=4 17432 B12R1.28 Cc1cncc(n1)NCCCO 27a_100000182051_100000754123 [0,2,0,0,0,0|2,0,0]=4 17433 B12R1.28 Cc1cncc(n1)SCCCO 62a_100000754123_100011215043 [0,2,0,0,0,0|2,0,0]=4 17434 B12R1.28 Cc1cncc(n1)SCCCO 62a_100011215043_100000754123 [0,2,0,0,0,0|2,0,0]=4 17435 B12R1.28 Cc1cnnc(c1)COCCO 34a_100016212594_100000211926 [0,2,0,0,0,0|2,0,0]=4 17436 B12R1.28 Cc1cnnc(c1)NCCCO 27a_100000182051_100000070100 [0,2,0,0,0,0|2,0,0]=4 17437 B12R1.28 Cc1cnnc(c1)OCCCO 34a_100000766097_100000230001 [0,2,0,0,0,0|2,0,0]=4 17438 B12R1.28 Cc1cnnc(c1)SCCCO 62a_100000070100_100011215043 [0,2,0,0,0,0|2,0,0]=4 17439 B12R1.28 Cc1cnnc(c1)SCCCO 62a_100011215043_100000070100 [0,2,0,0,0,0|2,0,0]=4 17440 B12R1.28 Cc1nccc(n1)CNCCO 270004a_100000210304_100011361539 [0,2,0,0,0,0|2,0,0]=4 17441 B12R1.28 Cc1nccc(n1)NCCCO 27a_100000182051_100000749937 [0,2,0,0,0,0|2,0,0]=4 17442 B12R1.28 Cc1nccc(n1)SCCCO 62a_100000749937_100011215043 [0,2,0,0,0,0|2,0,0]=4 17443 B12R1.28 Cc1nccc(n1)SCCCO 62a_100011215043_100000749937 [0,2,0,0,0,0|2,0,0]=4 17444 B12R1.28 Clc1cc(ccn1)COCCBr 34a_100000211926_100000764220 [0,2,0,0,0,0|2,0,0]=4 17445 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [0,2,0,0,0,0|1,0,0]=3 17446 B12R1.28 Clc1cccc(n1)COCCBr 34a_100000211926_100000086093 [0,2,0,0,0,0|2,0,0]=4 17447 B12R1.28 Clc1ccnc(c1)COCCBr 34a_100000211926_100016988179 [0,2,0,0,0,0|2,0,0]=4 17448 B12R1.28 Clc1cncc(c1)COCCBr 34a_100000211926_100016992070 [0,2,0,0,0,0|2,0,0]=4 17449 B12R1.28 FCCCNc1cc(ccn1)F 27a_100015189416_100000764206 [0,2,0,0,0,0|2,0,0]=4 17450 B12R1.28 FCCCNc1cccc(c1)Br 34a_100000210019_100011934791 [0,2,0,0,0,0|1,0,0]=3 17451 B12R1.28 FCCCNc1cccc(c1)Cl 34a_100000185859_100011934791 [0,2,0,0,0,0|1,0,0]=3 17452 B12R1.28 FCCCNc1cccc(c1)F 34a_100000210047_100011934791 [0,2,0,0,0,0|1,0,0]=3 17453 B12R1.28 FCCCNc1cccc(c1)I 34a_100000211102_100011934791 [0,2,0,0,0,0|1,0,0]=3 17454 B12R1.28 FCCCNc1cccc(n1)F 27a_100015189416_100009815982 [0,2,0,0,0,0|2,0,0]=4 17455 B12R1.28 FCCCNc1ccnc(c1)F 27a_100015189416_100009816116 [0,2,0,0,0,0|2,0,0]=4 17456 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [0,2,0,0,0,0|1,0,0]=3 17457 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [0,2,0,0,0,0|1,0,0]=3 17458 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [0,2,0,0,0,0|1,0,0]=3 17459 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [0,2,0,0,0,0|1,0,0]=3 17460 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [0,2,0,0,0,0|1,0,0]=3 17461 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [0,2,0,0,0,0|1,0,0]=3 17462 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [0,2,0,0,0,0|1,0,0]=3 17463 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [0,2,0,0,0,0|1,0,0]=3 17464 B12R1.28 FCCCOc1cccc(n1)F 34a_100011432558_100011934791 [0,2,0,0,0,0|2,0,0]=4 17465 B12R1.28 FCCCOc1ccnc(c1)Cl 34a_100000762945_100011934791 [0,2,0,0,0,0|2,0,0]=4 17466 B12R1.28 FCCCOc1ccnc(c1)F 34a_100000732698_100011934791 [0,2,0,0,0,0|2,0,0]=4 17467 B12R1.28 FCCCOc1cncc(c1)Br 34a_100000754920_100011934791 [0,2,0,0,0,0|2,0,0]=4 17468 B12R1.28 FCCCOc1cncc(c1)Br 7a_100000754920_100011934791 [0,2,0,0,0,0|2,0,0]=4 17469 B12R1.28 FCCCOc1cncc(c1)Cl 7a_100000032511_100011934791 [0,2,0,0,0,0|2,0,0]=4 17470 B12R1.28 FCCCOc1cncc(c1)F 34a_100011830296_100011934791 [0,2,0,0,0,0|2,0,0]=4 17471 B12R1.28 FCCCOc1cncc(c1)F 7a_100011830296_100011934791 [0,2,0,0,0,0|2,0,0]=4 17472 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100010167805_100011934791 [0,2,0,0,0,0|2,0,0]=4 17473 B12R1.28 FCCCSc1cc(ccn1)Cl 62a_100011934791_100010167805 [0,2,0,0,0,0|2,0,0]=4 17474 B12R1.28 FCCCSc1cc(ccn1)F 62a_100000764206_100011934791 [0,2,0,0,0,0|2,0,0]=4 17475 B12R1.28 FCCCSc1cc(ccn1)F 62a_100011934791_100000764206 [0,2,0,0,0,0|2,0,0]=4 17476 B12R1.28 FCCCSc1cccc(c1)Br 62a_100000691529_100011934791 [0,2,0,0,0,0|1,0,0]=3 17477 B12R1.28 FCCCSc1cccc(c1)Br 62a_100011934791_100000691529 [0,2,0,0,0,0|1,0,0]=3 17478 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100000699651_100011934791 [0,2,0,0,0,0|1,0,0]=3 17479 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100011934791_100000699651 [0,2,0,0,0,0|1,0,0]=3 17480 B12R1.28 FCCCSc1cccc(c1)F 62a_100000685547_100011934791 [0,2,0,0,0,0|1,0,0]=3 17481 B12R1.28 FCCCSc1cccc(c1)F 62a_100011934791_100000685547 [0,2,0,0,0,0|1,0,0]=3 17482 B12R1.28 FCCCSc1cccc(c1)[S] 62a_100011934791_114929384022 [0,2,0,0,0,0|1,0,0]=3 17483 B12R1.28 FCCCSc1cccc(c1)[S] 62a_114929384022_100011934791 [0,2,0,0,0,0|1,0,0]=3 17484 B12R1.28 FCCCSc1cccc(n1)Br 62a_100000684672_100011934791 [0,2,0,0,0,0|2,0,0]=4 17485 B12R1.28 FCCCSc1cccc(n1)Br 62a_100011934791_100000684672 [0,2,0,0,0,0|2,0,0]=4 17486 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100000051397_100011934791 [0,2,0,0,0,0|2,0,0]=4 17487 B12R1.28 FCCCSc1cccc(n1)Cl 62a_100011934791_100000051397 [0,2,0,0,0,0|2,0,0]=4 17488 B12R1.28 FCCCSc1cccc(n1)F 62a_100009815982_100011934791 [0,2,0,0,0,0|2,0,0]=4 17489 B12R1.28 FCCCSc1cccc(n1)F 62a_100011934791_100009815982 [0,2,0,0,0,0|2,0,0]=4 17490 B12R1.28 FCCCSc1ccnc(c1)Br 62a_100009814637_100011934791 [0,2,0,0,0,0|2,0,0]=4 17491 B12R1.28 FCCCSc1ccnc(c1)Br 62a_100011934791_100009814637 [0,2,0,0,0,0|2,0,0]=4 17492 B12R1.28 FCCCSc1ccnc(c1)Cl 62a_100000035001_100011934791 [0,2,0,0,0,0|2,0,0]=4 17493 B12R1.28 FCCCSc1ccnc(c1)Cl 62a_100011934791_100000035001 [0,2,0,0,0,0|2,0,0]=4 17494 B12R1.28 FCCCSc1ccnc(c1)F 62a_100009816116_100011934791 [0,2,0,0,0,0|2,0,0]=4 17495 B12R1.28 FCCCSc1ccnc(c1)F 62a_100011934791_100009816116 [0,2,0,0,0,0|2,0,0]=4 17496 B12R1.28 FCCCSc1cncc(c1)Br 62a_100000728054_100011934791 [0,2,0,0,0,0|2,0,0]=4 17497 B12R1.28 FCCCSc1cncc(c1)Br 62a_100011934791_100000728054 [0,2,0,0,0,0|2,0,0]=4 17498 B12R1.28 FCCCSc1cncc(c1)Cl 62a_100000049639_100011934791 [0,2,0,0,0,0|2,0,0]=4 17499 B12R1.28 FCCCSc1cncc(c1)Cl 62a_100011934791_100000049639 [0,2,0,0,0,0|2,0,0]=4 17500 B12R1.28 FCCCSc1cncc(c1)F 62a_100000744099_100011934791 [0,2,0,0,0,0|2,0,0]=4 17501 B12R1.28 FCCCSc1cncc(c1)F 62a_100011934791_100000744099 [0,2,0,0,0,0|2,0,0]=4 17502 B12R1.28 FCCNCc1cc(ccn1)Br 34a_100000724931_100010173614 [0,2,0,0,0,0|2,0,0]=4 17503 B12R1.28 FCCNCc1cc(ccn1)Cl 34a_100000724931_100016988179 [0,2,0,0,0,0|2,0,0]=4 17504 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [0,2,0,0,0,0|1,0,0]=3 17505 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [0,2,0,0,0,0|1,0,0]=3 17506 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [0,2,0,0,0,0|1,0,0]=3 17507 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [0,2,0,0,0,0|1,0,0]=3 17508 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [0,2,0,0,0,0|1,0,0]=3 17509 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [0,2,0,0,0,0|1,0,0]=3 17510 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [0,2,0,0,0,0|1,0,0]=3 17511 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [0,2,0,0,0,0|1,0,0]=3 17512 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [0,2,0,0,0,0|1,0,0]=3 17513 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [0,2,0,0,0,0|1,0,0]=3 17514 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [0,2,0,0,0,0|1,0,0]=3 17515 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [0,2,0,0,0,0|1,0,0]=3 17516 B12R1.28 FCCNCc1cccc(n1)Br 2230a_100016987751_100011217306 [0,2,0,0,0,0|2,0,0]=4 17517 B12R1.28 FCCNCc1cccc(n1)Br 34a_100000724931_100009889011 [0,2,0,0,0,0|2,0,0]=4 17518 B12R1.28 FCCNCc1cccc(n1)Cl 2230a_100016990191_100011217306 [0,2,0,0,0,0|2,0,0]=4 17519 B12R1.28 FCCNCc1cccc(n1)Cl 34a_100000724931_100000086093 [0,2,0,0,0,0|2,0,0]=4 17520 B12R1.28 FCCNCc1cccc(n1)F 2230a_100015188798_100011217306 [0,2,0,0,0,0|2,0,0]=4 17521 B12R1.28 FCCNCc1cccc(n1)F 34a_100000724931_100009819644 [0,2,0,0,0,0|2,0,0]=4 17522 B12R1.28 FCCNCc1cccc(n1)F 34a_100015188798_100011217306 [0,2,0,0,0,0|2,0,0]=4 17523 B12R1.28 FCCNCc1ccnc(c1)Br 2230a_100025757509_100011217306 [0,2,0,0,0,0|2,0,0]=4 17524 B12R1.28 FCCNCc1ccnc(c1)Br 34a_100000724931_100010243470 [0,2,0,0,0,0|2,0,0]=4 17525 B12R1.28 FCCNCc1ccnc(c1)Br 34a_100025757509_100011217306 [0,2,0,0,0,0|2,0,0]=4 17526 B12R1.28 FCCNCc1ccnc(c1)Cl 2230a_100015205668_100011217306 [0,2,0,0,0,0|2,0,0]=4 17527 B12R1.28 FCCNCc1ccnc(c1)Cl 34a_100000724931_100000764220 [0,2,0,0,0,0|2,0,0]=4 17528 B12R1.28 FCCNCc1ccnc(c1)Cl 34a_100015205668_100011217306 [0,2,0,0,0,0|2,0,0]=4 17529 B12R1.28 FCCNCc1ccnc(c1)F 2230a_100015188774_100011217306 [0,2,0,0,0,0|2,0,0]=4 17530 B12R1.28 FCCNCc1ccnc(c1)F 34a_100015188774_100011217306 [0,2,0,0,0,0|2,0,0]=4 17531 B12R1.28 FCCNCc1cncc(c1)Br 34a_100000724931_100000738771 [0,2,0,0,0,0|2,0,0]=4 17532 B12R1.28 FCCNCc1cncc(c1)Cl 2230a_200020614424_100011217306 [0,2,0,0,0,0|2,0,0]=4 17533 B12R1.28 FCCNCc1cncc(c1)Cl 34a_100000724931_100016992070 [0,2,0,0,0,0|2,0,0]=4 17534 B12R1.28 FCCNCc1cncc(c1)F 2230a_100011962886_100011217306 [0,2,0,0,0,0|2,0,0]=4 17535 B12R1.28 FCCNCc1cncc(c1)F 34a_100000724931_100000725299 [0,2,0,0,0,0|2,0,0]=4 17536 B12R1.28 FCCNCc1cncc(c1)F 34a_100011962886_100011217306 [0,2,0,0,0,0|2,0,0]=4 17537 B12R1.28 FCCOCc1cc(ccn1)Cl 34a_100000748867_100011217306 [0,2,0,0,0,0|2,0,0]=4 17538 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [0,2,0,0,0,0|1,0,0]=3 17539 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [0,2,0,0,0,0|1,0,0]=3 17540 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [0,2,0,0,0,0|1,0,0]=3 17541 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [0,2,0,0,0,0|1,0,0]=3 17542 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [0,2,0,0,0,0|1,0,0]=3 17543 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [0,2,0,0,0,0|1,0,0]=3 17544 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [0,2,0,0,0,0|1,0,0]=3 17545 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [0,2,0,0,0,0|1,0,0]=3 17546 B12R1.28 FCCOCc1cccc(n1)Br 34a_100000694195_100011217306 [0,2,0,0,0,0|2,0,0]=4 17547 B12R1.28 FCCOCc1cccc(n1)Cl 34a_100011998359_100011217306 [0,2,0,0,0,0|2,0,0]=4 17548 B12R1.28 FCCOCc1cccc(n1)F 34a_100000086748_100011217306 [0,2,0,0,0,0|2,0,0]=4 17549 B12R1.28 FCCOCc1ccnc(c1)Br 34a_100009814636_100011217306 [0,2,0,0,0,0|2,0,0]=4 17550 B12R1.28 FCCOCc1ccnc(c1)Br 7a_100009814636_100011217306 [0,2,0,0,0,0|2,0,0]=4 17551 B12R1.28 FCCOCc1ccnc(c1)Cl 34a_100000748751_100011217306 [0,2,0,0,0,0|2,0,0]=4 17552 B12R1.28 FCCOCc1ccnc(c1)F 34a_100000082451_100011217306 [0,2,0,0,0,0|2,0,0]=4 17553 B12R1.28 FCCOCc1cncc(c1)Br 34a_100011259137_100011217306 [0,2,0,0,0,0|2,0,0]=4 17554 B12R1.28 FCCOCc1cncc(c1)Br 7a_100011259137_100011217306 [0,2,0,0,0,0|2,0,0]=4 17555 B12R1.28 FCCOCc1cncc(c1)Cl 34a_100000092867_100011217306 [0,2,0,0,0,0|2,0,0]=4 17556 B12R1.28 FCCOCc1cncc(c1)Cl 7a_100000092867_100011217306 [0,2,0,0,0,0|2,0,0]=4 17557 B12R1.28 FCCOCc1cncc(c1)F 34a_100011962875_100011217306 [0,2,0,0,0,0|2,0,0]=4 17558 B12R1.28 FCCOCc1cncc(c1)F 7a_100011962875_100011217306 [0,2,0,0,0,0|2,0,0]=4 17559 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100010173614_100011217306 [0,2,0,0,0,0|2,0,0]=4 17560 B12R1.28 FCCSCc1cc(ccn1)Br 62a_100011217306_100010173614 [0,2,0,0,0,0|2,0,0]=4 17561 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100011217306_100016988179 [0,2,0,0,0,0|2,0,0]=4 17562 B12R1.28 FCCSCc1cc(ccn1)Cl 62a_100016988179_100011217306 [0,2,0,0,0,0|2,0,0]=4 17563 B12R1.28 FCCSCc1cccc(c1)Br 62a_100000211773_100011217306 [0,2,0,0,0,0|1,0,0]=3 17564 B12R1.28 FCCSCc1cccc(c1)Br 62a_100011217306_100000211773 [0,2,0,0,0,0|1,0,0]=3 17565 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100000187163_100011217306 [0,2,0,0,0,0|1,0,0]=3 17566 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100011217306_100000187163 [0,2,0,0,0,0|1,0,0]=3 17567 B12R1.28 FCCSCc1cccc(c1)F 62a_100000230114_100011217306 [0,2,0,0,0,0|1,0,0]=3 17568 B12R1.28 FCCSCc1cccc(c1)F 62a_100011217306_100000230114 [0,2,0,0,0,0|1,0,0]=3 17569 B12R1.28 FCCSCc1cccc(c1)I 62a_100011217306_100011218688 [0,2,0,0,0,0|1,0,0]=3 17570 B12R1.28 FCCSCc1cccc(c1)I 62a_100011218688_100011217306 [0,2,0,0,0,0|1,0,0]=3 17571 B12R1.28 FCCSCc1cccc(n1)Br 62a_100009889011_100011217306 [0,2,0,0,0,0|2,0,0]=4 17572 B12R1.28 FCCSCc1cccc(n1)Br 62a_100011217306_100009889011 [0,2,0,0,0,0|2,0,0]=4 17573 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100000086093_100011217306 [0,2,0,0,0,0|2,0,0]=4 17574 B12R1.28 FCCSCc1cccc(n1)Cl 62a_100011217306_100000086093 [0,2,0,0,0,0|2,0,0]=4 17575 B12R1.28 FCCSCc1cccc(n1)F 62a_100009819644_100011217306 [0,2,0,0,0,0|2,0,0]=4 17576 B12R1.28 FCCSCc1cccc(n1)F 62a_100011217306_100009819644 [0,2,0,0,0,0|2,0,0]=4 17577 B12R1.28 FCCSCc1ccnc(c1)Br 62a_100010254460_100011217306 [0,2,0,0,0,0|2,0,0]=4 17578 B12R1.28 FCCSCc1ccnc(c1)Br 62a_100011217306_100010243470 [0,2,0,0,0,0|2,0,0]=4 17579 B12R1.28 FCCSCc1ccnc(c1)Cl 62a_100000764220_100011217306 [0,2,0,0,0,0|2,0,0]=4 17580 B12R1.28 FCCSCc1ccnc(c1)Cl 62a_100011217306_100000764220 [0,2,0,0,0,0|2,0,0]=4 17581 B12R1.28 FCCSCc1cncc(c1)Br 62a_100000738771_100011217306 [0,2,0,0,0,0|2,0,0]=4 17582 B12R1.28 FCCSCc1cncc(c1)Br 62a_100011217306_100000738771 [0,2,0,0,0,0|2,0,0]=4 17583 B12R1.28 FCCSCc1cncc(c1)Cl 62a_100011217306_100016992070 [0,2,0,0,0,0|2,0,0]=4 17584 B12R1.28 FCCSCc1cncc(c1)Cl 62a_100016992070_100011217306 [0,2,0,0,0,0|2,0,0]=4 17585 B12R1.28 FCCSCc1cncc(c1)F 62a_100000725299_100011217306 [0,2,0,0,0,0|2,0,0]=4 17586 B12R1.28 FCCSCc1cncc(c1)F 62a_100011217306_100000725299 [0,2,0,0,0,0|2,0,0]=4 17587 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [0,2,0,0,0,0|1,0,0]=3 17588 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [0,2,0,0,0,0|1,0,0]=3 17589 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [0,2,0,0,0,0|1,0,0]=3 17590 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [0,2,0,0,0,0|1,0,0]=3 17591 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [0,2,0,0,0,0|1,0,0]=3 17592 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [0,2,0,0,0,0|1,0,0]=3 17593 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [0,2,0,0,0,0|1,0,0]=3 17594 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [0,2,0,0,0,0|1,0,0]=3 17595 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [0,2,0,0,0,0|1,0,0]=3 17596 B12R1.28 FCOCCc1cccc(n1)Br 34a_100010221043_100015361967 [0,2,0,0,0,0|2,0,0]=4 17597 B12R1.28 FCOCCc1cccc(n1)Br 7a_100010221043_100015361967 [0,2,0,0,0,0|2,0,0]=4 17598 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [0,2,0,0,0,0|1,0,0]=3 17599 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [0,2,0,0,0,0|1,0,0]=3 17600 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [0,2,0,0,0,0|1,0,0]=3 17601 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [0,2,0,0,0,0|1,0,0]=3 17602 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [0,2,0,0,0,0|1,0,0]=3 17603 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [0,2,0,0,0,0|1,0,0]=3 17604 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [0,2,0,0,0,0|1,0,0]=3 17605 B12R1.28 Fc1cccc(n1)COCCBr 34a_100000211926_100009819644 [0,2,0,0,0,0|2,0,0]=4 17606 B12R1.28 Fc1cncc(c1)COCCBr 34a_100000211926_100000725299 [0,2,0,0,0,0|2,0,0]=4 17607 B12R1.28 N#CCCCc1ccnc(c1)O 271570a_203496583355_106722366013 [0,2,0,0,0,0|2,0,0]=4 17608 B12R1.28 N#CCCOc1cccc(c1)Br 7a_100000210342_100000184422 [0,2,0,0,0,0|1,0,1]=4 17609 B12R1.28 N#CCCOc1cccc(c1)Cl 7a_100000210295_100000184422 [0,2,0,0,0,0|1,0,1]=4 17610 B12R1.28 N#CCCOc1cccc(c1)F 7a_100000210426_100000184422 [0,2,0,0,0,0|1,0,1]=4 17611 B12R1.28 N#CCCOc1cccc(c1)I 7a_100000211634_100000184422 [0,2,0,0,0,0|1,0,1]=4 17612 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100000691529_100011215226 [0,2,0,0,0,0|1,0,1]=4 17613 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100011215226_100000691529 [0,2,0,0,0,0|1,0,1]=4 17614 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100000699651_100011215226 [0,2,0,0,0,0|1,0,1]=4 17615 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100011215226_100000699651 [0,2,0,0,0,0|1,0,1]=4 17616 B12R1.28 N#CCCSc1cccc(c1)F 62a_100000685547_100011215226 [0,2,0,0,0,0|1,0,1]=4 17617 B12R1.28 N#CCCSc1cccc(c1)F 62a_100011215226_100000685547 [0,2,0,0,0,0|1,0,1]=4 17618 B12R1.28 N#CCCSc1cccc(c1)N 62a_100000210019_100011215226 [0,2,0,0,0,0|1,0,1]=4 17619 B12R1.28 N#CCCSc1cccc(c1)N 62a_100011215226_100000210019 [0,2,0,0,0,0|1,0,1]=4 17620 B12R1.28 N#CCCSc1cccc(c1)O 62a_100011215226_100000211634 [0,2,0,0,0,0|1,0,1]=4 17621 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_100011215226_114929384022 [0,2,0,0,0,0|1,0,1]=4 17622 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_114929384022_100011215226 [0,2,0,0,0,0|1,0,1]=4 17623 B12R1.28 N#CCNCc1cccc(c1)Br 2230a_100000174977_100011215382 [0,2,0,0,0,0|1,0,1]=4 17624 B12R1.28 N#CCNCc1cccc(c1)Cl 2230a_100000174878_100011215382 [0,2,0,0,0,0|1,0,1]=4 17625 B12R1.28 N#CCNCc1cccc(c1)F 2230a_100000174948_100011215382 [0,2,0,0,0,0|1,0,1]=4 17626 B12R1.28 N#CCNCc1cccc(c1)I 2230a_100000106179_100011215382 [0,2,0,0,0,0|1,0,1]=4 17627 B12R1.28 N#CCNCc1cccc(c1)O 2230a_100000743036_100011215382 [0,2,0,0,0,0|1,0,1]=4 17628 B12R1.28 N#CCOCc1cccc(c1)Br 7a_100000687537_100011215382 [0,2,0,0,0,0|1,0,1]=4 17629 B12R1.28 N#CCOCc1cccc(c1)Cl 7a_100000241301_100011215382 [0,2,0,0,0,0|1,0,1]=4 17630 B12R1.28 N#CCOCc1cccc(c1)F 7a_100000210976_100011215382 [0,2,0,0,0,0|1,0,1]=4 17631 B12R1.28 N#CCOCc1cccc(c1)I 7a_100011215336_100011215382 [0,2,0,0,0,0|1,0,1]=4 17632 B12R1.28 N#CCSCc1cccc(c1)Br 62a_100000211773_100011215382 [0,2,0,0,0,0|1,0,1]=4 17633 B12R1.28 N#CCSCc1cccc(c1)Br 62a_100011215382_100000211773 [0,2,0,0,0,0|1,0,1]=4 17634 B12R1.28 N#CCSCc1cccc(c1)Cl 62a_100000187163_100011215382 [0,2,0,0,0,0|1,0,1]=4 17635 B12R1.28 N#CCSCc1cccc(c1)Cl 62a_100011215382_100000187163 [0,2,0,0,0,0|1,0,1]=4 17636 B12R1.28 N#CCSCc1cccc(c1)F 62a_100000230114_100011215382 [0,2,0,0,0,0|1,0,1]=4 17637 B12R1.28 N#CCSCc1cccc(c1)F 62a_100011215382_100000230114 [0,2,0,0,0,0|1,0,1]=4 17638 B12R1.28 N#CCSCc1cccc(c1)I 62a_100011215382_100011218688 [0,2,0,0,0,0|1,0,1]=4 17639 B12R1.28 N#CCSCc1cccc(c1)I 62a_100011218688_100011215382 [0,2,0,0,0,0|1,0,1]=4 17640 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011215382_100011660834 [0,2,0,0,0,0|1,0,1]=4 17641 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011660834_100011215382 [0,2,0,0,0,0|1,0,1]=4 17642 B12R1.28 NCCOCc1cc(ccn1)Br 34a_100000210304_100010173614 [0,2,0,0,0,0|2,0,0]=4 17643 B12R1.28 NCCOCc1cc(ccn1)Cl 34a_100000210304_100016988179 [0,2,0,0,0,0|2,0,0]=4 17644 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,2,0,0,0,0|1,0,0]=3 17645 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,2,0,0,0,0|1,0,0]=3 17646 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,2,0,0,0,0|1,0,0]=3 17647 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,2,0,0,0,0|1,0,0]=3 17648 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,2,0,0,0,0|1,0,0]=3 17649 B12R1.28 NCCOCc1cccc(n1)Br 34a_100000210304_100009889011 [0,2,0,0,0,0|2,0,0]=4 17650 B12R1.28 NCCOCc1cccc(n1)Cl 34a_100000210304_100000086093 [0,2,0,0,0,0|2,0,0]=4 17651 B12R1.28 NCCOCc1cccc(n1)F 34a_100000210304_100009819644 [0,2,0,0,0,0|2,0,0]=4 17652 B12R1.28 NCCOCc1ccnc(c1)Br 34a_100000210304_100010243470 [0,2,0,0,0,0|2,0,0]=4 17653 B12R1.28 NCCOCc1ccnc(c1)Cl 34a_100000210304_100000764220 [0,2,0,0,0,0|2,0,0]=4 17654 B12R1.28 NCCOCc1cncc(c1)Br 34a_100000210304_100000738771 [0,2,0,0,0,0|2,0,0]=4 17655 B12R1.28 NCCOCc1cncc(c1)Cl 34a_100000210304_100016992070 [0,2,0,0,0,0|2,0,0]=4 17656 B12R1.28 NCCOCc1cncc(c1)F 34a_100000210304_100000725299 [0,2,0,0,0,0|2,0,0]=4 17657 B12R1.28 Nc1cc(ccn1)OCCCF 34a_100011834064_100011934791 [0,2,0,0,0,0|2,0,0]=4 17658 B12R1.28 Nc1cc(ccn1)OCCCO 34a_100011834064_100000230001 [0,2,0,0,0,0|1,0,0]=3 17659 B12R1.28 Nc1cc(ccn1)SCCCF 62a_100000049665_100011934791 [0,2,0,0,0,0|2,0,0]=4 17660 B12R1.28 Nc1cc(ccn1)SCCCF 62a_100011934791_100000049665 [0,2,0,0,0,0|2,0,0]=4 17661 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100000049665_100011215043 [0,2,0,0,0,0|1,0,0]=3 17662 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100011215043_100000049665 [0,2,0,0,0,0|1,0,0]=3 17663 B12R1.28 Nc1cc(cnn1)OCCCO 34a_200015193112_100000230001 [0,2,0,0,0,0|2,0,0]=4 17664 B12R1.28 Nc1cc(cnn1)SCCCO 62a_100000130277_100011215043 [0,2,0,0,0,0|2,0,0]=4 17665 B12R1.28 Nc1cc(cnn1)SCCCO 62a_100011215043_100000130277 [0,2,0,0,0,0|2,0,0]=4 17666 B12R1.28 Nc1cc(ncn1)NCCCO 27a_100000182051_100000701291 [0,2,0,0,0,0|2,0,0]=4 17667 B12R1.28 Nc1cc(ncn1)SCCCO 62a_100000701291_100011215043 [0,2,0,0,0,0|2,0,0]=4 17668 B12R1.28 Nc1cc(ncn1)SCCCO 62a_100011215043_100000701291 [0,2,0,0,0,0|2,0,0]=4 17669 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [0,2,0,0,0,0|1,0,0]=3 17670 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,2,0,0,0,0|0,0,2]=4 17671 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [0,2,0,0,0,0|1,0,0]=3 17672 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,2,0,0,0,0|0,0,0]=2 17673 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|1,0,0]=3 17674 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,2,0,0,0,0|0,0,0]=2 17675 B12R1.28 Nc1cccc(c1)SCCCF 62a_100000210019_100011934791 [0,2,0,0,0,0|1,0,0]=3 17676 B12R1.28 Nc1cccc(c1)SCCCF 62a_100011934791_100000210019 [0,2,0,0,0,0|1,0,0]=3 17677 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [0,2,0,0,0,0|0,0,0]=2 17678 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [0,2,0,0,0,0|0,0,0]=2 17679 B12R1.28 Nc1cccc(n1)SCCCF 62a_100000740741_100011934791 [0,2,0,0,0,0|2,0,0]=4 17680 B12R1.28 Nc1cccc(n1)SCCCF 62a_100011934791_100000740741 [0,2,0,0,0,0|2,0,0]=4 17681 B12R1.28 Nc1cccc(n1)SCCCO 62a_100000740741_100011215043 [0,2,0,0,0,0|1,0,0]=3 17682 B12R1.28 Nc1cccc(n1)SCCCO 62a_100011215043_100000740741 [0,2,0,0,0,0|1,0,0]=3 17683 B12R1.28 Nc1ccnc(c1)COCCF 34a_100000692640_100011217306 [0,2,0,0,0,0|2,0,0]=4 17684 B12R1.28 Nc1ccnc(c1)COCCO 34a_100000692640_100000211926 [0,2,0,0,0,0|1,0,0]=3 17685 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100009814236_100011934791 [0,2,0,0,0,0|2,0,0]=4 17686 B12R1.28 Nc1ccnc(c1)SCCCF 62a_100011934791_100009814236 [0,2,0,0,0,0|2,0,0]=4 17687 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100009814236_100011215043 [0,2,0,0,0,0|1,0,0]=3 17688 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100011215043_100009814236 [0,2,0,0,0,0|1,0,0]=3 17689 B12R1.28 Nc1ccnc(n1)NCCCO 27a_100000182051_100000757536 [0,2,0,0,0,0|2,0,0]=4 17690 B12R1.28 Nc1ccnc(n1)SCCCO 62a_100000757536_100011215043 [0,2,0,0,0,0|2,0,0]=4 17691 B12R1.28 Nc1ccnc(n1)SCCCO 62a_100011215043_100000757536 [0,2,0,0,0,0|2,0,0]=4 17692 B12R1.28 Nc1cncc(c1)COCCF 34a_100000085308_100011217306 [0,2,0,0,0,0|2,0,0]=4 17693 B12R1.28 Nc1cncc(c1)COCCO 34a_100000085308_100000211926 [0,2,0,0,0,0|1,0,0]=3 17694 B12R1.28 Nc1cncc(c1)OCCCF 34a_100011997051_100011934791 [0,2,0,0,0,0|2,0,0]=4 17695 B12R1.28 Nc1cncc(c1)OCCCO 34a_100011997051_100000230001 [0,2,0,0,0,0|1,0,0]=3 17696 B12R1.28 Nc1cncc(c1)SCCCF 62a_100000687067_100011934791 [0,2,0,0,0,0|2,0,0]=4 17697 B12R1.28 Nc1cncc(c1)SCCCF 62a_100011934791_100000687067 [0,2,0,0,0,0|2,0,0]=4 17698 B12R1.28 Nc1cncc(c1)SCCCO 62a_100000687067_100011215043 [0,2,0,0,0,0|1,0,0]=3 17699 B12R1.28 Nc1cncc(c1)SCCCO 62a_100011215043_100000687067 [0,2,0,0,0,0|1,0,0]=3 17700 B12R1.28 Nc1cncc(n1)SCCCO 62a_100000747728_100011215043 [0,2,0,0,0,0|2,0,0]=4 17701 B12R1.28 Nc1cncc(n1)SCCCO 62a_100011215043_100000747728 [0,2,0,0,0,0|2,0,0]=4 17702 B12R1.28 Nc1cnnc(c1)SCCCO 62a_100011215043_100011996757 [0,2,0,0,0,0|2,0,0]=4 17703 B12R1.28 Nc1cnnc(c1)SCCCO 62a_100011996757_100011215043 [0,2,0,0,0,0|2,0,0]=4 17704 B12R1.28 Nc1nccc(n1)NCCCO 27a_100000182051_100000055538 [0,2,0,0,0,0|2,0,0]=4 17705 B12R1.28 Nc1nccc(n1)SCCCO 62a_100000055538_100011215043 [0,2,0,0,0,0|2,0,0]=4 17706 B12R1.28 Nc1nccc(n1)SCCCO 62a_100011215043_100000055538 [0,2,0,0,0,0|2,0,0]=4 17707 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [0,2,0,0,0,0|0,0,2]=4 17708 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [0,2,0,0,0,0|0,0,2]=4 17709 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [0,2,0,0,0,0|0,0,2]=4 17710 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [0,2,0,0,0,0|0,0,2]=4 17711 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [0,2,0,0,0,0|0,0,2]=4 17712 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [0,2,0,0,0,0|0,0,2]=4 17713 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [0,2,0,0,0,0|0,0,2]=4 17714 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [0,2,0,0,0,0|0,0,2]=4 17715 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [0,2,0,0,0,0|0,0,2]=4 17716 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [0,2,0,0,0,0|0,0,2]=4 17717 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,2,0,0,0,0|0,0,2]=4 17718 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,2,0,0,0,0|0,0,2]=4 17719 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,2,0,0,0,0|0,0,2]=4 17720 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,2,0,0,0,0|0,0,2]=4 17721 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,2,0,0,0,0|0,0,2]=4 17722 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,2,0,0,0,0|0,0,2]=4 17723 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,2,0,0,0,0|0,0,2]=4 17724 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,2,0,0,0,0|0,0,2]=4 17725 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [0,2,0,0,0,0|0,0,2]=4 17726 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [0,2,0,0,0,0|0,0,2]=4 17727 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [0,2,0,0,0,0|0,0,2]=4 17728 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [0,2,0,0,0,0|0,0,2]=4 17729 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [0,2,0,0,0,0|0,0,2]=4 17730 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [0,2,0,0,0,0|0,0,2]=4 17731 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [0,2,0,0,0,0|0,0,2]=4 17732 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [0,2,0,0,0,0|0,0,2]=4 17733 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [0,2,0,0,0,0|0,0,2]=4 17734 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [0,2,0,0,0,0|0,0,2]=4 17735 B12R1.28 O=c1cc(cc[nH]1)NCCCF 27a_100015189416_100000061649 [0,2,0,0,0,0|2,0,0]=4 17736 B12R1.28 O=c1cc(cc[nH]1)NCCCO 27a_100000182051_100000061649 [0,2,0,0,0,0|1,0,0]=3 17737 B12R1.28 O=c1cc(cc[nH]1)OCCCF 34a_100000032262_100011934791 [0,2,0,0,0,0|2,0,0]=4 17738 B12R1.28 O=c1cc(cc[nH]1)OCCCO 34a_100000032262_100000230001 [0,2,0,0,0,0|1,0,0]=3 17739 B12R1.28 O=c1cc(cc[nH]1)SCCCF 62a_100009816521_100011934791 [0,2,0,0,0,0|2,0,0]=4 17740 B12R1.28 O=c1cc(cc[nH]1)SCCCF 62a_100011934791_100009816521 [0,2,0,0,0,0|2,0,0]=4 17741 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100009816521_100011215043 [0,2,0,0,0,0|1,0,0]=3 17742 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100011215043_100009816521 [0,2,0,0,0,0|1,0,0]=3 17743 B12R1.28 O=c1cc(cn[nH]1)SCCCO 62a_100011215043_100010197405 [0,2,0,0,0,0|2,0,0]=4 17744 B12R1.28 O=c1cc(nc[nH]1)SCCCO 62a_100012002517_100011215043 [0,2,0,0,0,0|2,0,0]=4 17745 B12R1.28 O=c1cc[nH]c(c1)SCCCF 62a_100009817434_100011934791 [0,2,0,0,0,0|2,0,0]=4 17746 B12R1.28 O=c1cc[nH]c(c1)SCCCO 62a_100009817434_100011215043 [0,2,0,0,0,0|1,0,0]=3 17747 B12R1.28 O=c1cccc([nH]1)CNCCF 2230a_100000696482_100011217306 [0,2,0,0,0,0|2,0,0]=4 17748 B12R1.28 O=c1cccc([nH]1)CNCCO 207a_100000210304_100011935257 [0,2,0,0,0,0|1,0,0]=3 17749 B12R1.28 O=c1cccc([nH]1)CNCCO 2230a_100000696482_100000211926 [0,2,0,0,0,0|1,0,0]=3 17750 B12R1.28 O=c1cccc([nH]1)OCCCF 34a_100000033347_100011934791 [0,2,0,0,0,0|2,0,0]=4 17751 B12R1.28 O=c1cccc([nH]1)OCCCO 34a_100000033347_100000230001 [0,2,0,0,0,0|1,0,0]=3 17752 B12R1.28 O=c1cccc([nH]1)SCCCF 62a_100011934791_100000752884 [0,2,0,0,0,0|2,0,0]=4 17753 B12R1.28 O=c1cccc([nH]1)SCCCO 62a_100011215043_100000752884 [0,2,0,0,0,0|1,0,0]=3 17754 B12R1.28 O=c1nc(cc[nH]1)NCCCO 27a_100000182051_200000134032 [0,2,0,0,0,0|2,0,0]=4 17755 B12R1.28 O=c1nc(cc[nH]1)SCCCO 62a_100011215043_200000134032 [0,2,0,0,0,0|2,0,0]=4 17756 B12R1.28 OCCCNc1cc(ccn1)F 27a_100000182051_100000764206 [0,2,0,0,0,0|1,0,0]=3 17757 B12R1.28 OCCCNc1cc(ncn1)F 27a_100000182051_200009880791 [0,2,0,0,0,0|2,0,0]=4 17758 B12R1.28 OCCCNc1cc(ncn1)O 27a_100000182051_100000765262 [0,2,0,0,0,0|2,0,0]=4 17759 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [0,2,0,0,0,0|0,0,0]=2 17760 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [0,2,0,0,0,0|0,0,0]=2 17761 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [0,2,0,0,0,0|0,0,0]=2 17762 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [0,2,0,0,0,0|0,0,0]=2 17763 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [0,2,0,0,0,0|0,0,0]=2 17764 B12R1.28 OCCCNc1cccc(n1)F 27a_100000182051_100009815982 [0,2,0,0,0,0|1,0,0]=3 17765 B12R1.28 OCCCNc1ccnc(c1)F 27a_100000182051_100009816116 [0,2,0,0,0,0|1,0,0]=3 17766 B12R1.28 OCCCNc1cncc(n1)Cl 27a_100000182051_100010892449 [0,2,0,0,0,0|2,0,0]=4 17767 B12R1.28 OCCCNc1cncc(n1)F 27a_100000182051_200009863489 [0,2,0,0,0,0|2,0,0]=4 17768 B12R1.28 OCCCNc1nccc(n1)O 27a_100000182051_100011649813 [0,2,0,0,0,0|2,0,0]=4 17769 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,2,0,0,0,0|0,0,0]=2 17770 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,2,0,0,0,0|0,0,0]=2 17771 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,2,0,0,0,0|0,0,0]=2 17772 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,2,0,0,0,0|0,0,0]=2 17773 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,2,0,0,0,0|0,0,0]=2 17774 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,2,0,0,0,0|0,0,0]=2 17775 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,2,0,0,0,0|0,0,0]=2 17776 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,2,0,0,0,0|0,0,0]=2 17777 B12R1.28 OCCCOc1cccc(n1)F 34a_100011432558_100000230001 [0,2,0,0,0,0|1,0,0]=3 17778 B12R1.28 OCCCOc1ccnc(c1)Cl 34a_100000762945_100000230001 [0,2,0,0,0,0|1,0,0]=3 17779 B12R1.28 OCCCOc1ccnc(c1)F 34a_100000732698_100000230001 [0,2,0,0,0,0|1,0,0]=3 17780 B12R1.28 OCCCOc1cncc(c1)Br 34a_100000754920_100000230001 [0,2,0,0,0,0|1,0,0]=3 17781 B12R1.28 OCCCOc1cncc(c1)Br 7a_100000754920_100011215043 [0,2,0,0,0,0|1,0,0]=3 17782 B12R1.28 OCCCOc1cncc(c1)Cl 7a_100000032511_100011215043 [0,2,0,0,0,0|1,0,0]=3 17783 B12R1.28 OCCCOc1cncc(c1)F 34a_100011830296_100000230001 [0,2,0,0,0,0|1,0,0]=3 17784 B12R1.28 OCCCOc1cncc(c1)F 7a_100011830296_100011215043 [0,2,0,0,0,0|1,0,0]=3 17785 B12R1.28 OCCCOc1cnnc(c1)Cl 34a_200010734679_100000230001 [0,2,0,0,0,0|2,0,0]=4 17786 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100010167805_100011215043 [0,2,0,0,0,0|1,0,0]=3 17787 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100011215043_100010167805 [0,2,0,0,0,0|1,0,0]=3 17788 B12R1.28 OCCCSc1cc(ccn1)F 62a_100000764206_100011215043 [0,2,0,0,0,0|1,0,0]=3 17789 B12R1.28 OCCCSc1cc(ccn1)F 62a_100011215043_100000764206 [0,2,0,0,0,0|1,0,0]=3 17790 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [0,2,0,0,0,0|1,0,0]=3 17791 B12R1.28 OCCCSc1cc(cnn1)O 62a_100011215043_200010734679 [0,2,0,0,0,0|2,0,0]=4 17792 B12R1.28 OCCCSc1cc(ncn1)Cl 62a_100010161198_100011215043 [0,2,0,0,0,0|2,0,0]=4 17793 B12R1.28 OCCCSc1cc(ncn1)Cl 62a_100011215043_100010161198 [0,2,0,0,0,0|2,0,0]=4 17794 B12R1.28 OCCCSc1cc(ncn1)F 62a_100011215043_200009880791 [0,2,0,0,0,0|2,0,0]=4 17795 B12R1.28 OCCCSc1cc(ncn1)F 62a_200009880791_100011215043 [0,2,0,0,0,0|2,0,0]=4 17796 B12R1.28 OCCCSc1cc(ncn1)O 62a_100011215043_100000765262 [0,2,0,0,0,0|2,0,0]=4 17797 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [0,2,0,0,0,0|0,0,0]=2 17798 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [0,2,0,0,0,0|0,0,0]=2 17799 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [0,2,0,0,0,0|0,0,0]=2 17800 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [0,2,0,0,0,0|0,0,0]=2 17801 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [0,2,0,0,0,0|0,0,0]=2 17802 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [0,2,0,0,0,0|0,0,0]=2 17803 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [0,2,0,0,0,0|0,0,0]=2 17804 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [0,2,0,0,0,0|0,0,0]=2 17805 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [0,2,0,0,0,0|0,0,0]=2 17806 B12R1.28 OCCCSc1cccc(n1)Br 62a_100000684672_100011215043 [0,2,0,0,0,0|1,0,0]=3 17807 B12R1.28 OCCCSc1cccc(n1)Br 62a_100011215043_100000684672 [0,2,0,0,0,0|1,0,0]=3 17808 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100000051397_100011215043 [0,2,0,0,0,0|1,0,0]=3 17809 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100011215043_100000051397 [0,2,0,0,0,0|1,0,0]=3 17810 B12R1.28 OCCCSc1cccc(n1)F 62a_100009815982_100011215043 [0,2,0,0,0,0|1,0,0]=3 17811 B12R1.28 OCCCSc1cccc(n1)F 62a_100011215043_100009815982 [0,2,0,0,0,0|1,0,0]=3 17812 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100009814637_100011215043 [0,2,0,0,0,0|1,0,0]=3 17813 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100011215043_100009814637 [0,2,0,0,0,0|1,0,0]=3 17814 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100000035001_100011215043 [0,2,0,0,0,0|1,0,0]=3 17815 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100011215043_100000035001 [0,2,0,0,0,0|1,0,0]=3 17816 B12R1.28 OCCCSc1ccnc(c1)F 62a_100009816116_100011215043 [0,2,0,0,0,0|1,0,0]=3 17817 B12R1.28 OCCCSc1ccnc(c1)F 62a_100011215043_100009816116 [0,2,0,0,0,0|1,0,0]=3 17818 B12R1.28 OCCCSc1ccnc(n1)Cl 62a_100010154678_100011215043 [0,2,0,0,0,0|2,0,0]=4 17819 B12R1.28 OCCCSc1ccnc(n1)Cl 62a_100011215043_100010154678 [0,2,0,0,0,0|2,0,0]=4 17820 B12R1.28 OCCCSc1cncc(c1)Br 62a_100000728054_100011215043 [0,2,0,0,0,0|1,0,0]=3 17821 B12R1.28 OCCCSc1cncc(c1)Br 62a_100011215043_100000728054 [0,2,0,0,0,0|1,0,0]=3 17822 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100000049639_100011215043 [0,2,0,0,0,0|1,0,0]=3 17823 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100011215043_100000049639 [0,2,0,0,0,0|1,0,0]=3 17824 B12R1.28 OCCCSc1cncc(c1)F 62a_100000744099_100011215043 [0,2,0,0,0,0|1,0,0]=3 17825 B12R1.28 OCCCSc1cncc(c1)F 62a_100011215043_100000744099 [0,2,0,0,0,0|1,0,0]=3 17826 B12R1.28 OCCCSc1cncc(c1)O 62a_100000754920_100011215043 [0,2,0,0,0,0|1,0,0]=3 17827 B12R1.28 OCCCSc1cncc(c1)O 62a_100011215043_100000754920 [0,2,0,0,0,0|1,0,0]=3 17828 B12R1.28 OCCCSc1cncc(n1)Cl 62a_100010892449_100011215043 [0,2,0,0,0,0|2,0,0]=4 17829 B12R1.28 OCCCSc1cncc(n1)Cl 62a_100011215043_100010892449 [0,2,0,0,0,0|2,0,0]=4 17830 B12R1.28 OCCCSc1cncc(n1)F 62a_100011215043_200009863489 [0,2,0,0,0,0|2,0,0]=4 17831 B12R1.28 OCCCSc1cncc(n1)F 62a_200009863489_100011215043 [0,2,0,0,0,0|2,0,0]=4 17832 B12R1.28 OCCCSc1cncc(n1)O 62a_100011215043_100011269956 [0,2,0,0,0,0|2,0,0]=4 17833 B12R1.28 OCCCSc1nccc(n1)O 62a_100011215043_100011649813 [0,2,0,0,0,0|2,0,0]=4 17834 B12R1.28 OCCNCc1cc(ccn1)Br 2230a_100016997473_100010173614 [0,2,0,0,0,0|1,0,0]=3 17835 B12R1.28 OCCNCc1cc(ccn1)Br 270004a_100000210304_100009818557 [0,2,0,0,0,0|1,0,0]=3 17836 B12R1.28 OCCNCc1cc(ccn1)Br 34a_100016990907_100010173614 [0,2,0,0,0,0|1,0,0]=3 17837 B12R1.28 OCCNCc1cc(ccn1)Cl 2230a_100016997473_100016988179 [0,2,0,0,0,0|1,0,0]=3 17838 B12R1.28 OCCNCc1cc(ccn1)Cl 270004a_100000210304_100011998288 [0,2,0,0,0,0|1,0,0]=3 17839 B12R1.28 OCCNCc1cc(ccn1)Cl 34a_100016990907_100016988179 [0,2,0,0,0,0|1,0,0]=3 17840 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,2,0,0,0,0|0,0,0]=2 17841 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,2,0,0,0,0|0,0,0]=2 17842 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,2,0,0,0,0|0,0,0]=2 17843 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,2,0,0,0,0|0,0,0]=2 17844 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,2,0,0,0,0|0,0,0]=2 17845 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,2,0,0,0,0|0,0,0]=2 17846 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,2,0,0,0,0|0,0,0]=2 17847 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,2,0,0,0,0|0,0,0]=2 17848 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,2,0,0,0,0|0,0,0]=2 17849 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,2,0,0,0,0|0,0,0]=2 17850 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,2,0,0,0,0|0,0,0]=2 17851 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,2,0,0,0,0|0,0,0]=2 17852 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,2,0,0,0,0|0,0,0]=2 17853 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,2,0,0,0,0|0,0,0]=2 17854 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,2,0,0,0,0|0,0,0]=2 17855 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,2,0,0,0,0|0,0,0]=2 17856 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,2,0,0,0,0|0,0,0]=2 17857 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,2,0,0,0,0|0,0,0]=2 17858 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,2,0,0,0,0|0,0,0]=2 17859 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,2,0,0,0,0|0,0,0]=2 17860 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,2,0,0,0,0|0,0,0]=2 17861 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,2,0,0,0,0|0,0,0]=2 17862 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,2,0,0,0,0|0,0,0]=2 17863 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,2,0,0,0,0|0,0,0]=2 17864 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,2,0,0,0,0|0,0,0]=2 17865 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,2,0,0,0,0|0,0,0]=2 17866 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,2,0,0,0,0|0,0,0]=2 17867 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,2,0,0,0,0|0,0,0]=2 17868 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,2,0,0,0,0|0,0,0]=2 17869 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,2,0,0,0,0|0,0,0]=2 17870 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016987751_100000211926 [0,2,0,0,0,0|1,0,0]=3 17871 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016997473_100009889011 [0,2,0,0,0,0|1,0,0]=3 17872 B12R1.28 OCCNCc1cccc(n1)Br 270004a_100000210304_100000688028 [0,2,0,0,0,0|1,0,0]=3 17873 B12R1.28 OCCNCc1cccc(n1)Br 34a_100016990907_100009889011 [0,2,0,0,0,0|1,0,0]=3 17874 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016990191_100000211926 [0,2,0,0,0,0|1,0,0]=3 17875 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016997473_100000086093 [0,2,0,0,0,0|1,0,0]=3 17876 B12R1.28 OCCNCc1cccc(n1)Cl 270004a_100000210304_100011361687 [0,2,0,0,0,0|1,0,0]=3 17877 B12R1.28 OCCNCc1cccc(n1)Cl 34a_100016990907_100000086093 [0,2,0,0,0,0|1,0,0]=3 17878 B12R1.28 OCCNCc1cccc(n1)F 2230a_100015188798_100000211926 [0,2,0,0,0,0|1,0,0]=3 17879 B12R1.28 OCCNCc1cccc(n1)F 2230a_100016997473_100009819644 [0,2,0,0,0,0|1,0,0]=3 17880 B12R1.28 OCCNCc1cccc(n1)F 270004a_100000210304_100000050434 [0,2,0,0,0,0|1,0,0]=3 17881 B12R1.28 OCCNCc1cccc(n1)F 34a_100015188798_100000211926 [0,2,0,0,0,0|1,0,0]=3 17882 B12R1.28 OCCNCc1cccc(n1)F 34a_100016990907_100009819644 [0,2,0,0,0,0|1,0,0]=3 17883 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100016997473_100010243470 [0,2,0,0,0,0|1,0,0]=3 17884 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100025757509_100000211926 [0,2,0,0,0,0|1,0,0]=3 17885 B12R1.28 OCCNCc1ccnc(c1)Br 270004a_100000210304_100009814634 [0,2,0,0,0,0|1,0,0]=3 17886 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100016990907_100010243470 [0,2,0,0,0,0|1,0,0]=3 17887 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100025757509_100000211926 [0,2,0,0,0,0|1,0,0]=3 17888 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100015205668_100000211926 [0,2,0,0,0,0|1,0,0]=3 17889 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100016997473_100000764220 [0,2,0,0,0,0|1,0,0]=3 17890 B12R1.28 OCCNCc1ccnc(c1)Cl 270004a_100000210304_100011290808 [0,2,0,0,0,0|1,0,0]=3 17891 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100015205668_100000211926 [0,2,0,0,0,0|1,0,0]=3 17892 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100016990907_100000764220 [0,2,0,0,0,0|1,0,0]=3 17893 B12R1.28 OCCNCc1ccnc(c1)F 2230a_100015188774_100000211926 [0,2,0,0,0,0|1,0,0]=3 17894 B12R1.28 OCCNCc1ccnc(c1)F 270004a_100000210304_100000068331 [0,2,0,0,0,0|1,0,0]=3 17895 B12R1.28 OCCNCc1ccnc(c1)F 34a_100015188774_100000211926 [0,2,0,0,0,0|1,0,0]=3 17896 B12R1.28 OCCNCc1ccnc(c1)O 207a_100000210304_100000688113 [0,2,0,0,0,0|1,0,0]=3 17897 B12R1.28 OCCNCc1ccnc(n1)Cl 2230a_100016997473_100000099655 [0,2,0,0,0,0|2,0,0]=4 17898 B12R1.28 OCCNCc1ccnc(n1)Cl 34a_100016990907_100000099655 [0,2,0,0,0,0|2,0,0]=4 17899 B12R1.28 OCCNCc1cncc(c1)Br 207a_100000210304_100000687066 [0,2,0,0,0,0|1,0,0]=3 17900 B12R1.28 OCCNCc1cncc(c1)Br 2230a_100016997473_100000738771 [0,2,0,0,0,0|1,0,0]=3 17901 B12R1.28 OCCNCc1cncc(c1)Br 270004a_100000210304_100000687066 [0,2,0,0,0,0|1,0,0]=3 17902 B12R1.28 OCCNCc1cncc(c1)Br 34a_100016990907_100000738771 [0,2,0,0,0,0|1,0,0]=3 17903 B12R1.28 OCCNCc1cncc(c1)Cl 207a_100000210304_100000088910 [0,2,0,0,0,0|1,0,0]=3 17904 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_100016997473_100016992070 [0,2,0,0,0,0|1,0,0]=3 17905 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_200020614424_100000211926 [0,2,0,0,0,0|1,0,0]=3 17906 B12R1.28 OCCNCc1cncc(c1)Cl 270004a_100000210304_100000088910 [0,2,0,0,0,0|1,0,0]=3 17907 B12R1.28 OCCNCc1cncc(c1)Cl 34a_100016990907_100016992070 [0,2,0,0,0,0|1,0,0]=3 17908 B12R1.28 OCCNCc1cncc(c1)F 207a_100000210304_100011361476 [0,2,0,0,0,0|1,0,0]=3 17909 B12R1.28 OCCNCc1cncc(c1)F 2230a_100011962886_100000211926 [0,2,0,0,0,0|1,0,0]=3 17910 B12R1.28 OCCNCc1cncc(c1)F 2230a_100016997473_100000725299 [0,2,0,0,0,0|1,0,0]=3 17911 B12R1.28 OCCNCc1cncc(c1)F 270004a_100000210304_100011361476 [0,2,0,0,0,0|1,0,0]=3 17912 B12R1.28 OCCNCc1cncc(c1)F 34a_100011962886_100000211926 [0,2,0,0,0,0|1,0,0]=3 17913 B12R1.28 OCCNCc1cncc(c1)F 34a_100016990907_100000725299 [0,2,0,0,0,0|1,0,0]=3 17914 B12R1.28 OCCNCc1cncc(c1)O 207a_100000210304_100012187055 [0,2,0,0,0,0|1,0,0]=3 17915 B12R1.28 OCCNCc1cncc(c1)O 270004a_100000210304_100012187055 [0,2,0,0,0,0|1,0,0]=3 17916 B12R1.28 OCCOCc1cc(ccn1)Cl 34a_100000748867_100000211926 [0,2,0,0,0,0|1,0,0]=3 17917 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,2,0,0,0,0|0,0,0]=2 17918 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,2,0,0,0,0|0,0,0]=2 17919 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,2,0,0,0,0|0,0,0]=2 17920 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,2,0,0,0,0|0,0,0]=2 17921 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,2,0,0,0,0|0,0,0]=2 17922 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,2,0,0,0,0|0,0,0]=2 17923 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,2,0,0,0,0|0,0,0]=2 17924 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,2,0,0,0,0|0,0,0]=2 17925 B12R1.28 OCCOCc1cccc(n1)Br 34a_100000694195_100000211926 [0,2,0,0,0,0|1,0,0]=3 17926 B12R1.28 OCCOCc1cccc(n1)Cl 34a_100011998359_100000211926 [0,2,0,0,0,0|1,0,0]=3 17927 B12R1.28 OCCOCc1cccc(n1)F 34a_100000086748_100000211926 [0,2,0,0,0,0|1,0,0]=3 17928 B12R1.28 OCCOCc1ccnc(c1)Br 34a_100009814636_100000211926 [0,2,0,0,0,0|1,0,0]=3 17929 B12R1.28 OCCOCc1ccnc(c1)Br 7a_100009814636_100000211926 [0,2,0,0,0,0|1,0,0]=3 17930 B12R1.28 OCCOCc1ccnc(c1)Cl 34a_100000748751_100000211926 [0,2,0,0,0,0|1,0,0]=3 17931 B12R1.28 OCCOCc1ccnc(c1)F 34a_100000082451_100000211926 [0,2,0,0,0,0|1,0,0]=3 17932 B12R1.28 OCCOCc1cncc(c1)Br 34a_100011259137_100000211926 [0,2,0,0,0,0|1,0,0]=3 17933 B12R1.28 OCCOCc1cncc(c1)Br 7a_100011259137_100000211926 [0,2,0,0,0,0|1,0,0]=3 17934 B12R1.28 OCCOCc1cncc(c1)Cl 34a_100000092867_100000211926 [0,2,0,0,0,0|1,0,0]=3 17935 B12R1.28 OCCOCc1cncc(c1)Cl 7a_100000092867_100000211926 [0,2,0,0,0,0|1,0,0]=3 17936 B12R1.28 OCCOCc1cncc(c1)F 34a_100011962875_100000211926 [0,2,0,0,0,0|1,0,0]=3 17937 B12R1.28 OCCOCc1cncc(c1)F 7a_100011962875_100000211926 [0,2,0,0,0,0|1,0,0]=3 17938 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100000211926_100010173614 [0,2,0,0,0,0|1,0,0]=3 17939 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100010173614_100000211926 [0,2,0,0,0,0|1,0,0]=3 17940 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100000211926_100016988179 [0,2,0,0,0,0|1,0,0]=3 17941 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100016988179_100000211926 [0,2,0,0,0,0|1,0,0]=3 17942 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [0,2,0,0,0,0|0,0,0]=2 17943 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [0,2,0,0,0,0|0,0,0]=2 17944 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [0,2,0,0,0,0|0,0,0]=2 17945 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [0,2,0,0,0,0|0,0,0]=2 17946 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [0,2,0,0,0,0|0,0,0]=2 17947 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [0,2,0,0,0,0|0,0,0]=2 17948 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [0,2,0,0,0,0|0,0,0]=2 17949 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [0,2,0,0,0,0|0,0,0]=2 17950 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [0,2,0,0,0,0|0,0,0]=2 17951 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [0,2,0,0,0,0|0,0,0]=2 17952 B12R1.28 OCCSCc1cccc(n1)Br 62a_100000211926_100009889011 [0,2,0,0,0,0|1,0,0]=3 17953 B12R1.28 OCCSCc1cccc(n1)Br 62a_100009889011_100000211926 [0,2,0,0,0,0|1,0,0]=3 17954 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000086093_100000211926 [0,2,0,0,0,0|1,0,0]=3 17955 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000211926_100000086093 [0,2,0,0,0,0|1,0,0]=3 17956 B12R1.28 OCCSCc1cccc(n1)F 62a_100000211926_100009819644 [0,2,0,0,0,0|1,0,0]=3 17957 B12R1.28 OCCSCc1cccc(n1)F 62a_100009819644_100000211926 [0,2,0,0,0,0|1,0,0]=3 17958 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100000211926_100010243470 [0,2,0,0,0,0|1,0,0]=3 17959 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100010254460_100000211926 [0,2,0,0,0,0|1,0,0]=3 17960 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000211926_100000764220 [0,2,0,0,0,0|1,0,0]=3 17961 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000764220_100000211926 [0,2,0,0,0,0|1,0,0]=3 17962 B12R1.28 OCCSCc1ccnc(n1)Cl 62a_100000099655_100000211926 [0,2,0,0,0,0|2,0,0]=4 17963 B12R1.28 OCCSCc1ccnc(n1)Cl 62a_100000211926_100000099655 [0,2,0,0,0,0|2,0,0]=4 17964 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000211926_100000738771 [0,2,0,0,0,0|1,0,0]=3 17965 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000738771_100000211926 [0,2,0,0,0,0|1,0,0]=3 17966 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100000211926_100016992070 [0,2,0,0,0,0|1,0,0]=3 17967 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100016992070_100000211926 [0,2,0,0,0,0|1,0,0]=3 17968 B12R1.28 OCCSCc1cncc(c1)F 62a_100000211926_100000725299 [0,2,0,0,0,0|1,0,0]=3 17969 B12R1.28 OCCSCc1cncc(c1)F 62a_100000725299_100000211926 [0,2,0,0,0,0|1,0,0]=3 17970 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [0,2,0,0,0,0|1,0,0]=3 17971 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [0,2,0,0,0,0|1,0,0]=3 17972 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [0,2,0,0,0,0|1,0,0]=3 17973 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|1,0,0]=3 17974 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [0,2,0,0,0,0|1,0,0]=3 17975 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011217306_100011660834 [0,2,0,0,0,0|1,0,0]=3 17976 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011660834_100011217306 [0,2,0,0,0,0|1,0,0]=3 17977 B12R1.28 Oc1cccc(c1)NCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|1,0,0]=3 17978 B12R1.28 Oc1cccc(c1)SCCCF 62a_100011934791_100000211634 [0,2,0,0,0,0|1,0,0]=3 17979 B12R1.28 Oc1ccnc(c1)SCCCF 62a_100011934791_100000762945 [0,2,0,0,0,0|2,0,0]=4 17980 B12R1.28 Oc1cncc(c1)SCCCF 62a_100000754920_100011934791 [0,2,0,0,0,0|2,0,0]=4 17981 B12R1.28 Oc1cncc(c1)SCCCF 62a_100011934791_100000754920 [0,2,0,0,0,0|2,0,0]=4 17982 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 17983 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 17984 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,2,0,0,0,0|1,0,0]=3 17985 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,2,0,0,0,0|1,0,0]=3 17986 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,2,0,0,0,0|1,0,0]=3 17987 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,2,0,0,0,0|1,0,0]=3 17988 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,2,0,0,0,0|2,0,0]=4 17989 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,2,0,0,0,0|2,0,0]=4 17990 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,2,0,0,0,0|2,0,0]=4 17991 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,2,0,0,0,0|2,0,0]=4 17992 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,2,0,0,0,0|2,0,0]=4 17993 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,2,0,0,0,0|2,0,0]=4 17994 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Br 34a_100009814051_200025704644 [0,2,0,0,0,0|0,0,2]=4 17995 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Br 7a_100009814051_200025704644 [0,2,0,0,0,0|0,0,2]=4 17996 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Cl 34a_100011218842_200025704644 [0,2,0,0,0,0|0,0,2]=4 17997 B12R1.28 [13CH3]OCC#Cc1cccc(c1)Cl 7a_100011218842_200025704644 [0,2,0,0,0,0|0,0,2]=4 17998 B12R1.28 [13CH3]OCC#Cc1cccc(c1)F 34a_100011219115_200025704644 [0,2,0,0,0,0|0,0,2]=4 17999 B12R1.28 [13CH3]OCC#Cc1cccc(c1)F 7a_100011219115_200025704644 [0,2,0,0,0,0|0,0,2]=4 18000 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,2,0,0,0,0|0,0,0]=2 18001 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,2,0,0,0,0|0,0,0]=2 18002 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,2,0,0,0,0|0,0,0]=2 18003 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,2,0,0,0,0|0,0,0]=2 18004 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,2,0,0,0,0|0,0,0]=2 18005 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,2,0,0,0,0|0,0,0]=2 18006 B12R1.28 [13CH3]OCCNc1cccc(n1)F 34a_200011432718_200025704644 [0,2,0,0,0,0|2,0,0]=4 18007 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,2,0,0,0,0|1,0,0]=3 18008 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,2,0,0,0,0|1,0,0]=3 18009 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,2,0,0,0,0|1,0,0]=3 18010 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,2,0,0,0,0|1,0,0]=3 18011 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,2,0,0,0,0|1,0,0]=3 18012 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [0,2,0,0,0,0|1,0,0]=3 18013 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [0,2,0,0,0,0|1,0,0]=3 18014 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [0,2,0,0,0,0|1,0,0]=3 18015 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [0,2,0,0,0,0|1,0,0]=3 18016 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [0,2,0,0,0,0|1,0,0]=3 18017 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,2,0,0,0,0|0,1,0]=3 18018 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,2,0,0,0,0|0,1,0]=3 18019 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,2,0,0,0,0|0,1,0]=3 18020 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,2,0,0,0,0|0,1,0]=3 18021 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,2,0,0,0,0|1,1,0]=4 18022 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,2,0,0,0,0|1,1,0]=4 18023 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,2,0,0,0,0|1,1,0]=4 18024 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,2,0,0,0,0|1,1,0]=4 18025 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,2,0,0,0,0|1,1,0]=4 18026 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,2,0,0,0,0|1,1,0]=4 18027 B12R1.28 [O-][n+]1cccc(c1)COCCF 34a_100000037817_100011217306 [0,2,0,0,0,0|2,0,0]=4 18028 B12R1.28 [O-][n+]1cccc(c1)COCCF 7a_100000037817_100011217306 [0,2,0,0,0,0|2,0,0]=4 18029 B12R1.28 [O-][n+]1cccc(c1)COCCO 34a_100000037817_100000211926 [0,2,0,0,0,0|1,0,0]=3 18030 B12R1.28 [O-][n+]1cccc(c1)COCCO 7a_100000037817_100000211926 [0,2,0,0,0,0|1,0,0]=3 18031 B12R1.28 [O-][n+]1cccc(c1)OCCCF 34a_100000039713_100011934791 [0,2,0,0,0,0|2,0,0]=4 18032 B12R1.28 [O-][n+]1cccc(c1)OCCCF 7a_100000039713_100011934791 [0,2,0,0,0,0|2,0,0]=4 18033 B12R1.28 [O-][n+]1cccc(c1)OCCCO 34a_100000039713_100000230001 [0,2,0,0,0,0|1,0,0]=3 18034 B12R1.28 [O-][n+]1cccc(c1)OCCCO 7a_100000039713_100011215043 [0,2,0,0,0,0|1,0,0]=3 18035 B12R1.28 [O-][n+]1cccc(c1)SCCCF 62a_100011934791_100009815978 [0,2,0,0,0,0|2,0,0]=4 18036 B12R1.28 [O-][n+]1cccc(c1)SCCCO 62a_100011215043_100009815978 [0,2,0,0,0,0|1,0,0]=3 18037 B12R1.28 [O-][n+]1ccnc(c1)NCCCO 27a_100000182051_100009880115 [0,2,0,0,0,0|2,0,0]=4 18038 B12R1.28 [O-][n+]1ccnc(c1)SCCCO 62a_100011215043_100009880115 [0,2,0,0,0,0|2,0,0]=4 18039 B12R1.50 CC(CO)Nc1cccc(c1)Br 34a_100000210019_100012180447 [0,2,0,0,0,0|1,0,0]=3 18040 B12R1.50 CC(CO)Nc1cccc(c1)Cl 34a_100000185859_100012180447 [0,2,0,0,0,0|1,0,0]=3 18041 B12R1.50 CC(CO)Nc1cccc(c1)F 34a_100000210047_100012180447 [0,2,0,0,0,0|1,0,0]=3 18042 B12R1.50 CC(CO)Nc1cccc(c1)I 34a_100000211102_100012180447 [0,2,0,0,0,0|1,0,0]=3 18043 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [0,2,0,0,0,0|1,0,0]=3 18044 B12R1.50 CC(CO)Oc1cc[nH]c(=O)c1 34a_100000032262_100012180447 [0,2,0,0,0,0|2,0,0]=4 18045 B12R1.50 CC(CO)Oc1ccc[n+](c1)[O-] 34a_100000039713_100012180447 [0,2,0,0,0,0|2,0,0]=4 18046 B12R1.50 CC(CO)Oc1ccc[n+](c1)[O-] 7a_100000039713_100012180447 [0,2,0,0,0,0|2,0,0]=4 18047 B12R1.50 CC(CO)Oc1cccc(=O)[nH]1 34a_100000033347_100012180447 [0,2,0,0,0,0|2,0,0]=4 18048 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,2,0,0,0,0|1,0,0]=3 18049 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,2,0,0,0,0|1,0,0]=3 18050 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,2,0,0,0,0|1,0,0]=3 18051 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,2,0,0,0,0|1,0,0]=3 18052 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,2,0,0,0,0|1,0,0]=3 18053 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,2,0,0,0,0|1,0,0]=3 18054 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,2,0,0,0,0|1,0,0]=3 18055 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,2,0,0,0,0|1,0,0]=3 18056 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,2,0,0,0,0|1,0,0]=3 18057 B12R1.50 CC(CO)Oc1cccc(n1)F 34a_100011432558_100012180447 [0,2,0,0,0,0|2,0,0]=4 18058 B12R1.50 CC(CO)Oc1ccnc(c1)Cl 34a_100000762945_100012180447 [0,2,0,0,0,0|2,0,0]=4 18059 B12R1.50 CC(CO)Oc1ccnc(c1)F 34a_100000732698_100012180447 [0,2,0,0,0,0|2,0,0]=4 18060 B12R1.50 CC(CO)Oc1ccnc(c1)N 34a_100011834064_100012180447 [0,2,0,0,0,0|2,0,0]=4 18061 B12R1.50 CC(CO)Oc1cncc(c1)Br 34a_100000754920_100012180447 [0,2,0,0,0,0|2,0,0]=4 18062 B12R1.50 CC(CO)Oc1cncc(c1)Br 7a_100000754920_100012180447 [0,2,0,0,0,0|2,0,0]=4 18063 B12R1.50 CC(CO)Oc1cncc(c1)Cl 7a_100000032511_100012180447 [0,2,0,0,0,0|2,0,0]=4 18064 B12R1.50 CC(CO)Oc1cncc(c1)F 34a_100011830296_100012180447 [0,2,0,0,0,0|2,0,0]=4 18065 B12R1.50 CC(CO)Oc1cncc(c1)F 7a_100011830296_100012180447 [0,2,0,0,0,0|2,0,0]=4 18066 B12R1.50 CC(CO)Oc1cncc(c1)N 34a_100011997051_100012180447 [0,2,0,0,0,0|2,0,0]=4 18067 B12R1.50 CC(CO)Sc1cc(ccn1)Cl 62a_100012180447_100010167805 [0,2,0,0,0,0|2,0,0]=4 18068 B12R1.50 CC(CO)Sc1cc(ccn1)F 62a_100012180447_100000764206 [0,2,0,0,0,0|2,0,0]=4 18069 B12R1.50 CC(CO)Sc1cc(ccn1)N 62a_100012180447_100009814236 [0,2,0,0,0,0|2,0,0]=4 18070 B12R1.50 CC(CO)Sc1cc(ccn1)O 62a_100012180447_100000762945 [0,2,0,0,0,0|2,0,0]=4 18071 B12R1.50 CC(CO)Sc1cc[nH]c(=O)c1 62a_100012180447_100009816521 [0,2,0,0,0,0|2,0,0]=4 18072 B12R1.50 CC(CO)Sc1ccc[n+](c1)C 62a_100012180447_100009996589 [0,2,0,0,0,0|2,0,0]=4 18073 B12R1.50 CC(CO)Sc1ccc[n+](c1)[O-] 62a_100012180447_100009815978 [0,2,0,0,0,0|2,0,0]=4 18074 B12R1.50 CC(CO)Sc1cccc(=O)[nH]1 62a_100012180447_100000752884 [0,2,0,0,0,0|2,0,0]=4 18075 B12R1.50 CC(CO)Sc1cccc(c1)Br 62a_100012180447_100000691529 [0,2,0,0,0,0|1,0,0]=3 18076 B12R1.50 CC(CO)Sc1cccc(c1)Cl 62a_100012180447_100000699651 [0,2,0,0,0,0|1,0,0]=3 18077 B12R1.50 CC(CO)Sc1cccc(c1)F 62a_100012180447_100000685547 [0,2,0,0,0,0|1,0,0]=3 18078 B12R1.50 CC(CO)Sc1cccc(c1)N 62a_100012180447_100000210019 [0,2,0,0,0,0|1,0,0]=3 18079 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [0,2,0,0,0,0|1,0,0]=3 18080 B12R1.50 CC(CO)Sc1cccc(c1)[S] 62a_100012180447_114929384022 [0,2,0,0,0,0|1,0,0]=3 18081 B12R1.50 CC(CO)Sc1cccc(n1)Br 62a_100012180447_100000684672 [0,2,0,0,0,0|2,0,0]=4 18082 B12R1.50 CC(CO)Sc1cccc(n1)Cl 62a_100012180447_100000051397 [0,2,0,0,0,0|2,0,0]=4 18083 B12R1.50 CC(CO)Sc1cccc(n1)F 62a_100012180447_100009815982 [0,2,0,0,0,0|2,0,0]=4 18084 B12R1.50 CC(CO)Sc1cccc(n1)N 62a_100012180447_100000740741 [0,2,0,0,0,0|2,0,0]=4 18085 B12R1.50 CC(CO)Sc1ccnc(c1)Br 62a_100012180447_100009814637 [0,2,0,0,0,0|2,0,0]=4 18086 B12R1.50 CC(CO)Sc1ccnc(c1)Cl 62a_100012180447_100000035001 [0,2,0,0,0,0|2,0,0]=4 18087 B12R1.50 CC(CO)Sc1ccnc(c1)F 62a_100012180447_100009816116 [0,2,0,0,0,0|2,0,0]=4 18088 B12R1.50 CC(CO)Sc1ccnc(c1)N 62a_100012180447_100000049665 [0,2,0,0,0,0|2,0,0]=4 18089 B12R1.50 CC(CO)Sc1cncc(c1)Br 62a_100012180447_100000728054 [0,2,0,0,0,0|2,0,0]=4 18090 B12R1.50 CC(CO)Sc1cncc(c1)Cl 62a_100012180447_100000049639 [0,2,0,0,0,0|2,0,0]=4 18091 B12R1.50 CC(CO)Sc1cncc(c1)F 62a_100012180447_100000744099 [0,2,0,0,0,0|2,0,0]=4 18092 B12R1.50 CC(CO)Sc1cncc(c1)N 62a_100012180447_100000687067 [0,2,0,0,0,0|2,0,0]=4 18093 B12R1.50 CC(CO)Sc1cncc(c1)O 62a_100012180447_100000754920 [0,2,0,0,0,0|2,0,0]=4 18094 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,2,0,0,0,0|1,0,1]=4 18095 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,2,0,0,0,0|1,0,1]=4 18096 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,2,0,0,0,0|1,0,1]=4 18097 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,2,0,0,0,0|1,0,1]=4 18098 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,2,0,0,0,0|1,0,1]=4 18099 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,2,0,0,0,0|1,0,1]=4 18100 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,2,0,0,0,0|1,0,1]=4 18101 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,2,0,0,0,0|1,0,1]=4 18102 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,2,0,0,0,0|1,0,1]=4 18103 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,2,0,0,0,0|1,0,1]=4 18104 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,2,0,0,0,0|1,0,1]=4 18105 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,2,0,0,0,0|1,0,1]=4 18106 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [0,2,0,0,0,0|2,0,0]=4 18107 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [0,2,0,0,0,0|2,0,0]=4 18108 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [0,2,0,0,0,0|2,0,0]=4 18109 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [0,2,0,0,0,0|2,0,0]=4 18110 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [0,2,0,0,0,0|2,0,0]=4 18111 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [0,2,0,0,0,0|2,0,0]=4 18112 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [0,2,0,0,0,0|2,0,0]=4 18113 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,2,0,0,0,0|2,0,0]=4 18114 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,2,0,0,0,0|2,0,0]=4 18115 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,2,0,0,0,0|2,0,0]=4 18116 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,2,0,0,0,0|2,0,0]=4 18117 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,2,0,0,0,0|2,0,0]=4 18118 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,2,0,0,0,0|2,0,0]=4 18119 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,2,0,0,0,0|2,0,0]=4 18120 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,2,0,0,0,0|2,0,0]=4 18121 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,2,0,0,0,0|2,0,0]=4 18122 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,2,0,0,0,0|2,0,0]=4 18123 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,2,0,0,0,0|2,0,0]=4 18124 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,2,0,0,0,0|2,0,0]=4 18125 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [0,2,0,0,0,0|2,0,0]=4 18126 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [0,2,0,0,0,0|2,0,0]=4 18127 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [0,2,0,0,0,0|2,0,0]=4 18128 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [0,2,0,0,0,0|2,0,0]=4 18129 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [0,2,0,0,0,0|2,0,0]=4 18130 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [0,2,0,0,0,0|2,0,0]=4 18131 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [0,2,0,0,0,0|2,0,0]=4 18132 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [0,2,0,0,0,0|2,0,0]=4 18133 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [0,2,0,0,0,0|2,0,0]=4 18134 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [0,2,0,0,0,0|2,0,0]=4 18135 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [0,2,0,0,0,0|2,0,0]=4 18136 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [0,2,0,0,0,0|2,0,0]=4 18137 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [0,2,0,0,0,0|2,0,0]=4 18138 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [0,2,0,0,0,0|2,0,0]=4 18139 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [0,2,0,0,0,0|2,0,0]=4 18140 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [0,2,0,0,0,0|2,0,0]=4 18141 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [0,2,0,0,0,0|2,0,0]=4 18142 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [0,2,0,0,0,0|2,0,0]=4 18143 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [0,2,0,0,0,0|2,0,0]=4 18144 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [0,2,0,0,0,0|2,0,0]=4 18145 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [0,2,0,0,0,0|2,0,0]=4 18146 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [0,2,0,0,0,0|2,0,0]=4 18147 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [0,2,0,0,0,0|2,0,0]=4 18148 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [0,2,0,0,0,0|2,0,0]=4 18149 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [0,2,0,0,0,0|2,0,0]=4 18150 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [0,2,0,0,0,0|2,0,0]=4 18151 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [0,2,0,0,0,0|2,0,0]=4 18152 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [0,2,0,0,0,0|2,0,0]=4 18153 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [0,2,0,0,0,0|2,0,0]=4 18154 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [0,2,0,0,0,0|2,0,0]=4 18155 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [0,2,0,0,0,0|2,0,0]=4 18156 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [0,2,0,0,0,0|2,0,0]=4 18157 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [0,2,0,0,0,0|2,0,0]=4 18158 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [0,2,0,0,0,0|2,0,0]=4 18159 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [0,2,0,0,0,0|2,0,0]=4 18160 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [0,2,0,0,0,0|2,0,0]=4 18161 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [0,2,0,0,0,0|2,0,0]=4 18162 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [0,2,0,0,0,0|2,0,0]=4 18163 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [0,2,0,0,0,0|2,0,0]=4 18164 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [0,2,0,0,0,0|2,0,0]=4 18165 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [0,2,0,0,0,0|2,0,0]=4 18166 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [0,2,0,0,0,0|2,0,0]=4 18167 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [0,2,0,0,0,0|2,0,0]=4 18168 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [0,2,0,0,0,0|2,0,0]=4 18169 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [0,2,0,0,0,0|2,0,0]=4 18170 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [0,2,0,0,0,0|2,0,0]=4 18171 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [0,2,0,0,0,0|2,0,0]=4 18172 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [0,2,0,0,0,0|2,0,0]=4 18173 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [0,2,0,0,0,0|2,0,0]=4 18174 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [0,2,0,0,0,0|2,0,0]=4 18175 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [0,2,0,0,0,0|2,0,0]=4 18176 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [0,2,0,0,0,0|2,0,0]=4 18177 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [0,2,0,0,0,0|2,0,0]=4 18178 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [0,2,0,0,0,0|2,0,0]=4 18179 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [0,2,0,0,0,0|2,0,0]=4 18180 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [0,2,0,0,0,0|2,0,0]=4 18181 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [0,2,0,0,0,0|2,0,0]=4 18182 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [0,2,0,0,0,0|2,0,0]=4 18183 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [0,2,0,0,0,0|2,0,0]=4 18184 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [0,2,0,0,0,0|2,0,0]=4 18185 B12R1.50 CN(CF)Cc1cccc(c1)Br 269982a_100000187585_100015361967 [0,2,0,0,0,0|2,0,0]=4 18186 B12R1.50 CN(CF)Cc1cccc(c1)Cl 269982a_100020629429_100015361967 [0,2,0,0,0,0|2,0,0]=4 18187 B12R1.50 CN(CF)Cc1cccc(c1)F 269982a_100000184398_100015361967 [0,2,0,0,0,0|2,0,0]=4 18188 B12R1.50 CN(CF)Cc1cccc(c1)F 34a_100000184398_100015361967 [0,2,0,0,0,0|2,0,0]=4 18189 B12R1.50 CN(CF)Cc1cccc(c1)O 269982a_100000207540_100015361967 [0,2,0,0,0,0|2,0,0]=4 18190 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,2,0,0,0,0|2,0,0]=4 18191 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,2,0,0,0,0|2,0,0]=4 18192 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,2,0,0,0,0|2,0,0]=4 18193 B12R1.50 C[C@H](CO)Nc1cc(ccn1)F 27a_100000737577_100000764206 [0,2,0,0,0,0|2,0,0]=4 18194 B12R1.50 C[C@H](CO)Nc1cc[nH]c(=O)c1 27a_100000737577_100000061649 [0,2,0,0,0,0|2,0,0]=4 18195 B12R1.50 C[C@H](CO)Nc1cccc(n1)F 27a_100000737577_100009815982 [0,2,0,0,0,0|2,0,0]=4 18196 B12R1.50 C[C@H](CO)Nc1ccnc(c1)F 27a_100000737577_100009816116 [0,2,0,0,0,0|2,0,0]=4 18197 B12R1.50 C[C@H](CO)Sc1cc(=O)cc[nH]1 62a_100009817434_100016084084 [0,2,0,0,0,0|2,0,0]=4 18198 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100010167805_100016084084 [0,2,0,0,0,0|2,0,0]=4 18199 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100016084084_100010167805 [0,2,0,0,0,0|2,0,0]=4 18200 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100000764206_100016084084 [0,2,0,0,0,0|2,0,0]=4 18201 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100016084084_100000764206 [0,2,0,0,0,0|2,0,0]=4 18202 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100009814236_100016084084 [0,2,0,0,0,0|2,0,0]=4 18203 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100016084084_100009814236 [0,2,0,0,0,0|2,0,0]=4 18204 B12R1.50 C[C@H](CO)Sc1cc(ccn1)O 62a_100016084084_100000762945 [0,2,0,0,0,0|2,0,0]=4 18205 B12R1.50 C[C@H](CO)Sc1cc[nH]c(=O)c1 62a_100009816521_100016084084 [0,2,0,0,0,0|2,0,0]=4 18206 B12R1.50 C[C@H](CO)Sc1cc[nH]c(=O)c1 62a_100016084084_100009816521 [0,2,0,0,0,0|2,0,0]=4 18207 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)C 62a_100009996589_100016084084 [0,2,0,0,0,0|2,0,0]=4 18208 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)C 62a_100016084084_100009996589 [0,2,0,0,0,0|2,0,0]=4 18209 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)[O-] 62a_100016084084_100009815978 [0,2,0,0,0,0|2,0,0]=4 18210 B12R1.50 C[C@H](CO)Sc1cccc(=O)[nH]1 62a_100016084084_100000752884 [0,2,0,0,0,0|2,0,0]=4 18211 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100000691529_100016084084 [0,2,0,0,0,0|1,0,0]=3 18212 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100016084084_100000691529 [0,2,0,0,0,0|1,0,0]=3 18213 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100000699651_100016084084 [0,2,0,0,0,0|1,0,0]=3 18214 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100016084084_100000699651 [0,2,0,0,0,0|1,0,0]=3 18215 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100000685547_100016084084 [0,2,0,0,0,0|1,0,0]=3 18216 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100016084084_100000685547 [0,2,0,0,0,0|1,0,0]=3 18217 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100000210019_100016084084 [0,2,0,0,0,0|1,0,0]=3 18218 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100016084084_100000210019 [0,2,0,0,0,0|1,0,0]=3 18219 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [0,2,0,0,0,0|1,0,0]=3 18220 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_100016084084_114929384022 [0,2,0,0,0,0|1,0,0]=3 18221 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_114929384022_100016084084 [0,2,0,0,0,0|1,0,0]=3 18222 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100000684672_100016084084 [0,2,0,0,0,0|2,0,0]=4 18223 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100016084084_100000684672 [0,2,0,0,0,0|2,0,0]=4 18224 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100000051397_100016084084 [0,2,0,0,0,0|2,0,0]=4 18225 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100016084084_100000051397 [0,2,0,0,0,0|2,0,0]=4 18226 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100009815982_100016084084 [0,2,0,0,0,0|2,0,0]=4 18227 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100016084084_100009815982 [0,2,0,0,0,0|2,0,0]=4 18228 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100000740741_100016084084 [0,2,0,0,0,0|2,0,0]=4 18229 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100016084084_100000740741 [0,2,0,0,0,0|2,0,0]=4 18230 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Br 62a_100009814637_100016084084 [0,2,0,0,0,0|2,0,0]=4 18231 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Br 62a_100016084084_100009814637 [0,2,0,0,0,0|2,0,0]=4 18232 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Cl 62a_100000035001_100016084084 [0,2,0,0,0,0|2,0,0]=4 18233 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Cl 62a_100016084084_100000035001 [0,2,0,0,0,0|2,0,0]=4 18234 B12R1.50 C[C@H](CO)Sc1ccnc(c1)F 62a_100009816116_100016084084 [0,2,0,0,0,0|2,0,0]=4 18235 B12R1.50 C[C@H](CO)Sc1ccnc(c1)F 62a_100016084084_100009816116 [0,2,0,0,0,0|2,0,0]=4 18236 B12R1.50 C[C@H](CO)Sc1ccnc(c1)N 62a_100000049665_100016084084 [0,2,0,0,0,0|2,0,0]=4 18237 B12R1.50 C[C@H](CO)Sc1ccnc(c1)N 62a_100016084084_100000049665 [0,2,0,0,0,0|2,0,0]=4 18238 B12R1.50 C[C@H](CO)Sc1cncc(c1)Br 62a_100000728054_100016084084 [0,2,0,0,0,0|2,0,0]=4 18239 B12R1.50 C[C@H](CO)Sc1cncc(c1)Br 62a_100016084084_100000728054 [0,2,0,0,0,0|2,0,0]=4 18240 B12R1.50 C[C@H](CO)Sc1cncc(c1)Cl 62a_100000049639_100016084084 [0,2,0,0,0,0|2,0,0]=4 18241 B12R1.50 C[C@H](CO)Sc1cncc(c1)Cl 62a_100016084084_100000049639 [0,2,0,0,0,0|2,0,0]=4 18242 B12R1.50 C[C@H](CO)Sc1cncc(c1)F 62a_100000744099_100016084084 [0,2,0,0,0,0|2,0,0]=4 18243 B12R1.50 C[C@H](CO)Sc1cncc(c1)F 62a_100016084084_100000744099 [0,2,0,0,0,0|2,0,0]=4 18244 B12R1.50 C[C@H](CO)Sc1cncc(c1)N 62a_100000687067_100016084084 [0,2,0,0,0,0|2,0,0]=4 18245 B12R1.50 C[C@H](CO)Sc1cncc(c1)N 62a_100016084084_100000687067 [0,2,0,0,0,0|2,0,0]=4 18246 B12R1.50 C[C@H](CO)Sc1cncc(c1)O 62a_100000754920_100016084084 [0,2,0,0,0,0|2,0,0]=4 18247 B12R1.50 C[C@H](CO)Sc1cncc(c1)O 62a_100016084084_100000754920 [0,2,0,0,0,0|2,0,0]=4 18248 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,2,0,0,0,0|1,0,1]=4 18249 B12R1.50 Cc1cc(ccn1)N[C@H](C)CO 27a_100000737577_100000758586 [0,2,0,0,0,0|2,0,0]=4 18250 B12R1.50 Cc1cc(ccn1)OC(C)CO 34a_100000688365_100012180447 [0,2,0,0,0,0|2,0,0]=4 18251 B12R1.50 Cc1cc(ccn1)SC(C)CO 62a_100012180447_100000758586 [0,2,0,0,0,0|2,0,0]=4 18252 B12R1.50 Cc1cc(ccn1)S[C@H](C)CO 62a_100000758586_100016084084 [0,2,0,0,0,0|2,0,0]=4 18253 B12R1.50 Cc1cc(ccn1)S[C@H](C)CO 62a_100016084084_100000758586 [0,2,0,0,0,0|2,0,0]=4 18254 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,2,0,0,0,0|1,0,1]=4 18255 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,2,0,0,0,0|0,0,1]=3 18256 B12R1.50 Cc1cccc(c1)CN(C)CF 269982a_102495364743_100015361967 [0,2,0,0,0,0|2,0,0]=4 18257 B12R1.50 Cc1cccc(c1)CN(C)CF 34a_102495364743_100015361967 [0,2,0,0,0,0|2,0,0]=4 18258 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,2,0,0,0,0|1,0,1]=4 18259 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,2,0,0,0,0|1,0,1]=4 18260 B12R1.50 Cc1cccc(c1)NC(C)CO 2230a_100000188690_100012180447 [0,2,0,0,0,0|1,0,0]=3 18261 B12R1.50 Cc1cccc(c1)NC(C)CO 34a_100000188690_100012180447 [0,2,0,0,0,0|1,0,0]=3 18262 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,2,0,0,0,0|1,0,0]=3 18263 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,2,0,0,0,0|1,0,0]=3 18264 B12R1.50 Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215228 [0,2,0,0,0,0|1,0,0]=3 18265 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100011215228_100016084084 [0,2,0,0,0,0|1,0,0]=3 18266 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215228 [0,2,0,0,0,0|1,0,0]=3 18267 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,2,0,0,0,0|1,0,1]=4 18268 B12R1.50 Cc1cccc(n1)SC(C)CO 62a_100012180447_100000742759 [0,2,0,0,0,0|2,0,0]=4 18269 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100000742759_100016084084 [0,2,0,0,0,0|2,0,0]=4 18270 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100016084084_100000742759 [0,2,0,0,0,0|2,0,0]=4 18271 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,2,0,0,0,0|1,0,1]=4 18272 B12R1.50 Cc1ccnc(c1)SC(C)CO 62a_100012180447_100000750283 [0,2,0,0,0,0|2,0,0]=4 18273 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100000750283_100016084084 [0,2,0,0,0,0|2,0,0]=4 18274 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100016084084_100000750283 [0,2,0,0,0,0|2,0,0]=4 18275 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,2,0,0,0,0|1,0,1]=4 18276 B12R1.50 Cc1cncc(c1)OC(C)CO 34a_100011830280_100012180447 [0,2,0,0,0,0|2,0,0]=4 18277 B12R1.50 Cc1cncc(c1)OC(C)CO 7a_100011830280_100012180447 [0,2,0,0,0,0|2,0,0]=4 18278 B12R1.50 Cc1cncc(c1)SC(C)CO 62a_100012180447_100000760492 [0,2,0,0,0,0|2,0,0]=4 18279 B12R1.50 Cc1cncc(c1)S[C@H](C)CO 62a_100000760492_100016084084 [0,2,0,0,0,0|2,0,0]=4 18280 B12R1.50 Cc1cncc(c1)S[C@H](C)CO 62a_100016084084_100000760492 [0,2,0,0,0,0|2,0,0]=4 18281 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,2,0,0,0,0|0,0,0]=2 18282 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,2,0,0,0,0|1,0,1]=4 18283 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,2,0,0,0,0|1,0,1]=4 18284 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,2,0,0,0,0|1,0,1]=4 18285 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,2,0,0,0,0|1,0,1]=4 18286 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,2,0,0,0,0|1,0,1]=4 18287 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,2,0,0,0,0|1,0,1]=4 18288 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,2,0,0,0,0|1,0,1]=4 18289 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,2,0,0,0,0|0,0,1]=3 18290 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,2,0,0,0,0|0,0,1]=3 18291 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,2,0,0,0,0|0,0,1]=3 18292 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,2,0,0,0,0|0,0,1]=3 18293 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,2,0,0,0,0|0,0,1]=3 18294 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,2,0,0,0,0|1,0,1]=4 18295 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,2,0,0,0,0|1,0,1]=4 18296 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,2,0,0,0,0|1,0,1]=4 18297 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,2,0,0,0,0|1,0,1]=4 18298 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,2,0,0,0,0|1,0,1]=4 18299 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,2,0,0,0,0|1,0,1]=4 18300 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,2,0,0,0,0|1,0,1]=4 18301 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,2,0,0,0,0|1,0,1]=4 18302 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,2,0,0,0,0|1,0,1]=4 18303 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,2,0,0,0,0|1,0,1]=4 18304 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,2,0,0,0,0|1,0,1]=4 18305 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,2,0,0,0,0|1,0,1]=4 18306 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,2,0,0,0,0|1,0,1]=4 18307 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,2,0,0,0,0|1,0,1]=4 18308 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,2,0,0,0,0|1,0,1]=4 18309 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,2,0,0,0,0|1,0,1]=4 18310 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,2,0,0,0,0|1,0,1]=4 18311 B12R1.100 CCCCc1cc([nH]c(=O)c1)C 271570a_100020621405_100009861981 [0,2,0,0,0,0|2,0,0]=4 18312 B12R1.100 CCCCc1cc(cc(c1)Br)Br 271570a_100020621405_100009814770 [0,2,0,0,0,0|1,0,0]=3 18313 B12R1.100 CCCCc1cc(cc(c1)Br)Cl 271570a_100020621405_100009814755 [0,2,0,0,0,0|1,0,0]=3 18314 B12R1.100 CCCCc1cc(cc(c1)Br)F 271570a_100020621405_100009814764 [0,2,0,0,0,0|1,0,0]=3 18315 B12R1.100 CCCCc1cc(cc(c1)Br)N 271570a_100020621405_100009814763 [0,2,0,0,0,0|1,0,0]=3 18316 B12R1.100 CCCCc1cc(cc(c1)Br)O 271570a_100020621405_100010068917 [0,2,0,0,0,0|1,0,0]=3 18317 B12R1.100 CCCCc1cc(cc(c1)C)C 271570a_100020621405_100011215608 [0,2,0,0,0,0|1,0,0]=3 18318 B12R1.100 CCCCc1cc(cc(c1)Cl)C 271570a_100020621405_100010172791 [0,2,0,0,0,0|1,0,0]=3 18319 B12R1.100 CCCCc1cc(cc(c1)Cl)Cl 271570a_100020621405_100000747138 [0,2,0,0,0,0|1,0,0]=3 18320 B12R1.100 CCCCc1cc(cc(c1)Cl)F 271570a_100020621405_100013859453 [0,2,0,0,0,0|1,0,0]=3 18321 B12R1.100 CCCCc1cc(cc(c1)Cl)N 271570a_100020621405_100010147676 [0,2,0,0,0,0|1,0,0]=3 18322 B12R1.100 CCCCc1cc(cc(c1)Cl)O 271570a_100020621405_100010068924 [0,2,0,0,0,0|1,0,0]=3 18323 B12R1.100 CCCCc1cc(cc(c1)F)C 271570a_100020621405_100011356977 [0,2,0,0,0,0|1,0,0]=3 18324 B12R1.100 CCCCc1cc(cc(c1)F)F 271570a_100020621405_100011218498 [0,2,0,0,0,0|1,0,0]=3 18325 B12R1.100 CCCCc1cc(cc(c1)F)N 271570a_100020621405_100011356972 [0,2,0,0,0,0|1,0,0]=3 18326 B12R1.100 CCCCc1cc(cc(c1)F)O 271570a_100020621405_100000717995 [0,2,0,0,0,0|1,0,0]=3 18327 B12R1.100 CCCCc1cc(cc(c1)N)C 271570a_100020621405_100000695972 [0,2,0,0,0,0|1,0,0]=3 18328 B12R1.100 CCCCc1cc(cc(c1)N)N 271570a_100020621405_100011999608 [0,2,0,0,0,0|1,0,0]=3 18329 B12R1.100 CCCCc1cc(cc(c1)O)C 271570a_100020621405_100011999630 [0,2,0,0,0,0|1,0,0]=3 18330 B12R1.100 CCCCc1cc(cc(c1)O)O 271570a_100020621405_100009868816 [0,2,0,0,0,0|1,0,0]=3 18331 B12R1.100 CCCCc1cc(cc(n1)C)C 271570a_100020621405_100000069240 [0,2,0,0,0,0|2,0,0]=4 18332 B12R1.100 CCCCc1cc(cc(n1)F)C 271570a_100020621405_100009819601 [0,2,0,0,0,0|2,0,0]=4 18333 B12R1.100 CCCCc1cc(cc(n1)N)C 271570a_100020621405_100009819863 [0,2,0,0,0,0|2,0,0]=4 18334 B12R1.100 CCCCc1cc(nc(c1)C)C 271570a_100020621405_100009816552 [0,2,0,0,0,0|2,0,0]=4 18335 B12R1.100 CCCCc1cc(nc(c1)F)C 271570a_100020621405_100010006595 [0,2,0,0,0,0|2,0,0]=4 18336 B12R1.100 CCCCc1cc(nc(c1)F)F 271570a_100020621405_100000049587 [0,2,0,0,0,0|2,0,0]=4 18337 B12R1.100 CCCCc1cc(nc(c1)N)C 271570a_100020621405_100000076705 [0,2,0,0,0,0|2,0,0]=4 18338 B12R1.100 CCCCc1cc(nc(c1)N)N 271570a_100020621405_100009816676 [0,2,0,0,0,0|2,0,0]=4 18339 B12R1.100 CCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000210303 [0,2,0,0,0,0|2,0,0]=4 18340 B12R1.100 CCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000210303 [0,2,0,0,0,0|2,0,0]=4 18341 B12R1.100 CCCNc1cc(cc(c1)Br)C 34a_100000695972_100000210303 [0,2,0,0,0,0|2,0,0]=4 18342 B12R1.100 CCCNc1cc(cc(c1)Br)C 7a_100000695972_100000210303 [0,2,0,0,0,0|2,0,0]=4 18343 B12R1.100 CCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000210303 [0,2,0,0,0,0|2,0,0]=4 18344 B12R1.100 CCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000210303 [0,2,0,0,0,0|2,0,0]=4 18345 B12R1.100 CCCNc1cc(cc(c1)Br)F 34a_100000705686_100000210303 [0,2,0,0,0,0|2,0,0]=4 18346 B12R1.100 CCCNc1cc(cc(c1)Br)F 7a_100000705686_100000210303 [0,2,0,0,0,0|2,0,0]=4 18347 B12R1.100 CCCNc1cc(cc(c1)C)C 2230a_100000210930_100000210303 [0,2,0,0,0,0|2,0,0]=4 18348 B12R1.100 CCCNc1cc(cc(c1)C)C 34a_100000210930_100000210303 [0,2,0,0,0,0|2,0,0]=4 18349 B12R1.100 CCCNc1cc(cc(c1)C)C 7a_100000210930_100000210303 [0,2,0,0,0,0|2,0,0]=4 18350 B12R1.100 CCCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210303 [0,2,0,0,0,0|2,0,0]=4 18351 B12R1.100 CCCNc1cc(cc(c1)Cl)C 34a_100012022512_100000210303 [0,2,0,0,0,0|2,0,0]=4 18352 B12R1.100 CCCNc1cc(cc(c1)Cl)C 7a_100012022512_100000210303 [0,2,0,0,0,0|2,0,0]=4 18353 B12R1.100 CCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000210303 [0,2,0,0,0,0|2,0,0]=4 18354 B12R1.100 CCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210303 [0,2,0,0,0,0|2,0,0]=4 18355 B12R1.100 CCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000210303 [0,2,0,0,0,0|2,0,0]=4 18356 B12R1.100 CCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000210303 [0,2,0,0,0,0|2,0,0]=4 18357 B12R1.100 CCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000210303 [0,2,0,0,0,0|2,0,0]=4 18358 B12R1.100 CCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210303 [0,2,0,0,0,0|2,0,0]=4 18359 B12R1.100 CCCNc1cc(cc(c1)F)C 2230a_100000742734_100000210303 [0,2,0,0,0,0|2,0,0]=4 18360 B12R1.100 CCCNc1cc(cc(c1)F)C 34a_100000742734_100000210303 [0,2,0,0,0,0|2,0,0]=4 18361 B12R1.100 CCCNc1cc(cc(c1)F)C 7a_100000742734_100000210303 [0,2,0,0,0,0|2,0,0]=4 18362 B12R1.100 CCCNc1cc(cc(c1)F)F 34a_100000233717_100000210303 [0,2,0,0,0,0|2,0,0]=4 18363 B12R1.100 CCCNc1cc(cc(c1)F)F 7a_100000233717_100000210303 [0,2,0,0,0,0|2,0,0]=4 18364 B12R1.100 CCCNc1cc(cc(c1)I)Br 7a_100009814763_100000210303 [0,2,0,0,0,0|2,0,0]=4 18365 B12R1.100 CCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000210303 [0,2,0,0,0,0|2,0,0]=4 18366 B12R1.100 CCCNc1cc(cc(c1)I)F 34a_100011356972_100000210303 [0,2,0,0,0,0|2,0,0]=4 18367 B12R1.100 CCCNc1cc(cc(c1)I)F 7a_100011356972_100000210303 [0,2,0,0,0,0|2,0,0]=4 18368 B12R1.100 CCCNc1cc(cc(c1)I)I 7a_200000696836_100000210303 [0,2,0,0,0,0|2,0,0]=4 18369 B12R1.100 CCCNc1cc(cc(c1)O)C 34a_100011995906_100000210303 [0,2,0,0,0,0|2,0,0]=4 18370 B12R1.100 CCCNc1cc(cc(c1)O)C 7a_100011995906_100000210303 [0,2,0,0,0,0|2,0,0]=4 18371 B12R1.100 CCCNc1cc(cc(c1)O)O 34a_100000043371_100000210303 [0,2,0,0,0,0|2,0,0]=4 18372 B12R1.100 CCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000210303 [0,2,0,0,0,0|2,0,0]=4 18373 B12R1.100 CCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210303 [0,2,0,0,0,0|2,0,0]=4 18374 B12R1.100 CCCOc1cc(cc(c1)Br)C 34a_100011999630_100000210303 [0,2,0,0,0,0|2,0,0]=4 18375 B12R1.100 CCCOc1cc(cc(c1)Br)C 7a_100011999630_100000210303 [0,2,0,0,0,0|2,0,0]=4 18376 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000210303 [0,2,0,0,0,0|2,0,0]=4 18377 B12R1.100 CCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210303 [0,2,0,0,0,0|2,0,0]=4 18378 B12R1.100 CCCOc1cc(cc(c1)Br)F 34a_100000688818_100000210303 [0,2,0,0,0,0|2,0,0]=4 18379 B12R1.100 CCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210303 [0,2,0,0,0,0|2,0,0]=4 18380 B12R1.100 CCCOc1cc(cc(c1)C)C 34a_100000210933_100000210303 [0,2,0,0,0,0|2,0,0]=4 18381 B12R1.100 CCCOc1cc(cc(c1)C)C 7a_100000210933_100000210303 [0,2,0,0,0,0|2,0,0]=4 18382 B12R1.100 CCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000210303 [0,2,0,0,0,0|2,0,0]=4 18383 B12R1.100 CCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210303 [0,2,0,0,0,0|2,0,0]=4 18384 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000210303 [0,2,0,0,0,0|2,0,0]=4 18385 B12R1.100 CCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210303 [0,2,0,0,0,0|2,0,0]=4 18386 B12R1.100 CCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000210303 [0,2,0,0,0,0|2,0,0]=4 18387 B12R1.100 CCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210303 [0,2,0,0,0,0|2,0,0]=4 18388 B12R1.100 CCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000210303 [0,2,0,0,0,0|2,0,0]=4 18389 B12R1.100 CCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210303 [0,2,0,0,0,0|2,0,0]=4 18390 B12R1.100 CCCOc1cc(cc(c1)F)C 34a_100011830401_100000210303 [0,2,0,0,0,0|2,0,0]=4 18391 B12R1.100 CCCOc1cc(cc(c1)F)C 7a_100011830401_100000210303 [0,2,0,0,0,0|2,0,0]=4 18392 B12R1.100 CCCOc1cc(cc(c1)F)F 34a_100000747503_100000210303 [0,2,0,0,0,0|2,0,0]=4 18393 B12R1.100 CCCOc1cc(cc(c1)F)F 7a_100000747503_100000210303 [0,2,0,0,0,0|2,0,0]=4 18394 B12R1.100 CCCOc1cc(cc(c1)I)Br 34a_100010068917_100000210303 [0,2,0,0,0,0|2,0,0]=4 18395 B12R1.100 CCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210303 [0,2,0,0,0,0|2,0,0]=4 18396 B12R1.100 CCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000210303 [0,2,0,0,0,0|2,0,0]=4 18397 B12R1.100 CCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210303 [0,2,0,0,0,0|2,0,0]=4 18398 B12R1.100 CCCOc1cc(cc(c1)I)F 34a_100000717995_100000210303 [0,2,0,0,0,0|2,0,0]=4 18399 B12R1.100 CCCOc1cc(cc(c1)I)F 7a_100000717995_100000210303 [0,2,0,0,0,0|2,0,0]=4 18400 B12R1.100 CCCOc1cc(cc(c1)N)C 34a_100011995906_100000210303 [0,2,0,0,0,0|2,0,0]=4 18401 B12R1.100 CCCOc1cc(cc(c1)N)C 7a_100011995906_100000210303 [0,2,0,0,0,0|2,0,0]=4 18402 B12R1.100 CCCSc1cc(cc(c1)Br)Br 62a_100000210303_100009814770 [0,2,0,0,0,0|2,0,0]=4 18403 B12R1.100 CCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000210303 [0,2,0,0,0,0|2,0,0]=4 18404 B12R1.100 CCCSc1cc(cc(c1)Br)Cl 62a_100000210303_100009814755 [0,2,0,0,0,0|2,0,0]=4 18405 B12R1.100 CCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210303 [0,2,0,0,0,0|2,0,0]=4 18406 B12R1.100 CCCSc1cc(cc(c1)Br)F 62a_100000210303_100009814764 [0,2,0,0,0,0|2,0,0]=4 18407 B12R1.100 CCCSc1cc(cc(c1)Br)F 62a_100009814764_100000210303 [0,2,0,0,0,0|2,0,0]=4 18408 B12R1.100 CCCSc1cc(cc(c1)Br)N 62a_100000210303_100009814763 [0,2,0,0,0,0|2,0,0]=4 18409 B12R1.100 CCCSc1cc(cc(c1)Br)N 62a_100009814763_100000210303 [0,2,0,0,0,0|2,0,0]=4 18410 B12R1.100 CCCSc1cc(cc(c1)Br)O 62a_100000210303_100010068917 [0,2,0,0,0,0|2,0,0]=4 18411 B12R1.100 CCCSc1cc(cc(c1)Br)O 62a_100010068917_100000210303 [0,2,0,0,0,0|2,0,0]=4 18412 B12R1.100 CCCSc1cc(cc(c1)C)C 62a_100000210303_100011215608 [0,2,0,0,0,0|2,0,0]=4 18413 B12R1.100 CCCSc1cc(cc(c1)C)C 62a_100011215608_100000210303 [0,2,0,0,0,0|2,0,0]=4 18414 B12R1.100 CCCSc1cc(cc(c1)Cl)C 62a_100000210303_100010172791 [0,2,0,0,0,0|2,0,0]=4 18415 B12R1.100 CCCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210303 [0,2,0,0,0,0|2,0,0]=4 18416 B12R1.100 CCCSc1cc(cc(c1)Cl)Cl 62a_100000210303_100000747138 [0,2,0,0,0,0|2,0,0]=4 18417 B12R1.100 CCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210303 [0,2,0,0,0,0|2,0,0]=4 18418 B12R1.100 CCCSc1cc(cc(c1)Cl)F 62a_100000210303_100013859453 [0,2,0,0,0,0|2,0,0]=4 18419 B12R1.100 CCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210303 [0,2,0,0,0,0|2,0,0]=4 18420 B12R1.100 CCCSc1cc(cc(c1)Cl)N 62a_100000210303_100010147676 [0,2,0,0,0,0|2,0,0]=4 18421 B12R1.100 CCCSc1cc(cc(c1)Cl)N 62a_100010147676_100000210303 [0,2,0,0,0,0|2,0,0]=4 18422 B12R1.100 CCCSc1cc(cc(c1)Cl)O 62a_100000210303_100010068924 [0,2,0,0,0,0|2,0,0]=4 18423 B12R1.100 CCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210303 [0,2,0,0,0,0|2,0,0]=4 18424 B12R1.100 CCCSc1cc(cc(c1)F)C 62a_100000210303_100011356977 [0,2,0,0,0,0|2,0,0]=4 18425 B12R1.100 CCCSc1cc(cc(c1)F)C 62a_100011356977_100000210303 [0,2,0,0,0,0|2,0,0]=4 18426 B12R1.100 CCCSc1cc(cc(c1)F)F 62a_100000210303_100000233788 [0,2,0,0,0,0|2,0,0]=4 18427 B12R1.100 CCCSc1cc(cc(c1)F)F 62a_100000233788_100000210303 [0,2,0,0,0,0|2,0,0]=4 18428 B12R1.100 CCCSc1cc(cc(c1)F)N 62a_100000210303_100011356972 [0,2,0,0,0,0|2,0,0]=4 18429 B12R1.100 CCCSc1cc(cc(c1)F)N 62a_100011356972_100000210303 [0,2,0,0,0,0|2,0,0]=4 18430 B12R1.100 CCCSc1cc(cc(c1)F)O 62a_100000210303_100000688818 [0,2,0,0,0,0|2,0,0]=4 18431 B12R1.100 CCCSc1cc(cc(c1)F)O 62a_100000688818_100000210303 [0,2,0,0,0,0|2,0,0]=4 18432 B12R1.100 CCCSc1cc(cc(c1)N)C 62a_100000210303_100000695972 [0,2,0,0,0,0|2,0,0]=4 18433 B12R1.100 CCCSc1cc(cc(c1)N)C 62a_100000695972_100000210303 [0,2,0,0,0,0|2,0,0]=4 18434 B12R1.100 CCCSc1cc(cc(c1)N)N 62a_100000210303_100011999608 [0,2,0,0,0,0|2,0,0]=4 18435 B12R1.100 CCCSc1cc(cc(c1)N)N 62a_100011999608_100000210303 [0,2,0,0,0,0|2,0,0]=4 18436 B12R1.100 CCCSc1cc(cc(c1)O)C 62a_100000210303_100011999630 [0,2,0,0,0,0|2,0,0]=4 18437 B12R1.100 CCCSc1cc(cc(c1)O)O 62a_100000210303_100009868816 [0,2,0,0,0,0|2,0,0]=4 18438 B12R1.100 CCNCc1cc(cc(c1)Br)Br 207a_100015525214_100000719502 [0,2,0,0,0,0|2,0,0]=4 18439 B12R1.100 CCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210202 [0,2,0,0,0,0|2,0,0]=4 18440 B12R1.100 CCNCc1cc(cc(c1)Br)Br 2230a_100015525214_100011216082 [0,2,0,0,0,0|2,0,0]=4 18441 B12R1.100 CCNCc1cc(cc(c1)Br)Br 269862a_100015525214_100000719502 [0,2,0,0,0,0|2,0,0]=4 18442 B12R1.100 CCNCc1cc(cc(c1)Br)Br 270004a_100015525214_100000719502 [0,2,0,0,0,0|2,0,0]=4 18443 B12R1.100 CCNCc1cc(cc(c1)Br)Br 34a_100015211796_100000210202 [0,2,0,0,0,0|2,0,0]=4 18444 B12R1.100 CCNCc1cc(cc(c1)Br)C 207a_100015525214_100000686105 [0,2,0,0,0,0|2,0,0]=4 18445 B12R1.100 CCNCc1cc(cc(c1)Br)C 2230a_100015525214_100012348363 [0,2,0,0,0,0|2,0,0]=4 18446 B12R1.100 CCNCc1cc(cc(c1)Br)C 269862a_100015525214_100000686105 [0,2,0,0,0,0|2,0,0]=4 18447 B12R1.100 CCNCc1cc(cc(c1)Br)C 270004a_100015525214_100000686105 [0,2,0,0,0,0|2,0,0]=4 18448 B12R1.100 CCNCc1cc(cc(c1)Br)Cl 207a_100015525214_100011934515 [0,2,0,0,0,0|2,0,0]=4 18449 B12R1.100 CCNCc1cc(cc(c1)Br)Cl 269862a_100015525214_100011934515 [0,2,0,0,0,0|2,0,0]=4 18450 B12R1.100 CCNCc1cc(cc(c1)Br)Cl 270004a_100015525214_100011934515 [0,2,0,0,0,0|2,0,0]=4 18451 B12R1.100 CCNCc1cc(cc(c1)Br)F 207a_100015525214_100011794424 [0,2,0,0,0,0|2,0,0]=4 18452 B12R1.100 CCNCc1cc(cc(c1)Br)F 2230a_100015525214_100000766940 [0,2,0,0,0,0|2,0,0]=4 18453 B12R1.100 CCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000210202 [0,2,0,0,0,0|2,0,0]=4 18454 B12R1.100 CCNCc1cc(cc(c1)Br)F 269862a_100015525214_100011794424 [0,2,0,0,0,0|2,0,0]=4 18455 B12R1.100 CCNCc1cc(cc(c1)Br)F 270004a_100015525214_100011794424 [0,2,0,0,0,0|2,0,0]=4 18456 B12R1.100 CCNCc1cc(cc(c1)Br)F 34a_100020611034_100000210202 [0,2,0,0,0,0|2,0,0]=4 18457 B12R1.100 CCNCc1cc(cc(c1)Br)O 207a_100015525214_100010176088 [0,2,0,0,0,0|2,0,0]=4 18458 B12R1.100 CCNCc1cc(cc(c1)Br)O 270004a_100015525214_100010176088 [0,2,0,0,0,0|2,0,0]=4 18459 B12R1.100 CCNCc1cc(cc(c1)C)C 207a_100015525214_100000745632 [0,2,0,0,0,0|2,0,0]=4 18460 B12R1.100 CCNCc1cc(cc(c1)C)C 2230a_100015525214_100000181317 [0,2,0,0,0,0|2,0,0]=4 18461 B12R1.100 CCNCc1cc(cc(c1)C)C 2230a_100020591340_100000210202 [0,2,0,0,0,0|2,0,0]=4 18462 B12R1.100 CCNCc1cc(cc(c1)C)C 270004a_100015525214_100000745632 [0,2,0,0,0,0|2,0,0]=4 18463 B12R1.100 CCNCc1cc(cc(c1)C)C 34a_100020591340_100000210202 [0,2,0,0,0,0|2,0,0]=4 18464 B12R1.100 CCNCc1cc(cc(c1)Cl)C 207a_100015525214_100000684525 [0,2,0,0,0,0|2,0,0]=4 18465 B12R1.100 CCNCc1cc(cc(c1)Cl)C 270004a_100015525214_100000684525 [0,2,0,0,0,0|2,0,0]=4 18466 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 207a_100015525214_100000741761 [0,2,0,0,0,0|2,0,0]=4 18467 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210202 [0,2,0,0,0,0|2,0,0]=4 18468 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 2230a_100015525214_100000685807 [0,2,0,0,0,0|2,0,0]=4 18469 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 270004a_100015525214_100000741761 [0,2,0,0,0,0|2,0,0]=4 18470 B12R1.100 CCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000210202 [0,2,0,0,0,0|2,0,0]=4 18471 B12R1.100 CCNCc1cc(cc(c1)Cl)F 207a_100015525214_100000703917 [0,2,0,0,0,0|2,0,0]=4 18472 B12R1.100 CCNCc1cc(cc(c1)Cl)F 2230a_100015525214_100011219885 [0,2,0,0,0,0|2,0,0]=4 18473 B12R1.100 CCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210202 [0,2,0,0,0,0|2,0,0]=4 18474 B12R1.100 CCNCc1cc(cc(c1)Cl)F 269862a_100015525214_100000703917 [0,2,0,0,0,0|2,0,0]=4 18475 B12R1.100 CCNCc1cc(cc(c1)Cl)F 270004a_100015525214_100000703917 [0,2,0,0,0,0|2,0,0]=4 18476 B12R1.100 CCNCc1cc(cc(c1)Cl)F 34a_100137329012_100000210202 [0,2,0,0,0,0|2,0,0]=4 18477 B12R1.100 CCNCc1cc(cc(c1)Cl)O 207a_100015525214_100000050827 [0,2,0,0,0,0|2,0,0]=4 18478 B12R1.100 CCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210202 [0,2,0,0,0,0|2,0,0]=4 18479 B12R1.100 CCNCc1cc(cc(c1)Cl)O 270004a_100015525214_100000050827 [0,2,0,0,0,0|2,0,0]=4 18480 B12R1.100 CCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210202 [0,2,0,0,0,0|2,0,0]=4 18481 B12R1.100 CCNCc1cc(cc(c1)F)C 207a_100015525214_100011217087 [0,2,0,0,0,0|2,0,0]=4 18482 B12R1.100 CCNCc1cc(cc(c1)F)C 2230a_100011830484_100000210202 [0,2,0,0,0,0|2,0,0]=4 18483 B12R1.100 CCNCc1cc(cc(c1)F)C 2230a_100015525214_100011219130 [0,2,0,0,0,0|2,0,0]=4 18484 B12R1.100 CCNCc1cc(cc(c1)F)C 270004a_100015525214_100011217087 [0,2,0,0,0,0|2,0,0]=4 18485 B12R1.100 CCNCc1cc(cc(c1)F)C 34a_100011830484_100000210202 [0,2,0,0,0,0|2,0,0]=4 18486 B12R1.100 CCNCc1cc(cc(c1)F)F 207a_100015525214_100000743029 [0,2,0,0,0,0|2,0,0]=4 18487 B12R1.100 CCNCc1cc(cc(c1)F)F 2230a_100000737602_100000210202 [0,2,0,0,0,0|2,0,0]=4 18488 B12R1.100 CCNCc1cc(cc(c1)F)F 2230a_100015525214_100000697002 [0,2,0,0,0,0|2,0,0]=4 18489 B12R1.100 CCNCc1cc(cc(c1)F)F 269862a_100015525214_100000743029 [0,2,0,0,0,0|2,0,0]=4 18490 B12R1.100 CCNCc1cc(cc(c1)F)F 270004a_100015525214_100000743029 [0,2,0,0,0,0|2,0,0]=4 18491 B12R1.100 CCNCc1cc(cc(c1)F)F 34a_100000737602_100000210202 [0,2,0,0,0,0|2,0,0]=4 18492 B12R1.100 CCNCc1cc(cc(c1)F)O 207a_100015525214_100000703664 [0,2,0,0,0,0|2,0,0]=4 18493 B12R1.100 CCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210202 [0,2,0,0,0,0|2,0,0]=4 18494 B12R1.100 CCNCc1cc(cc(c1)F)O 270004a_100015525214_100000703664 [0,2,0,0,0,0|2,0,0]=4 18495 B12R1.100 CCNCc1cc(cc(c1)F)O 34a_100160469513_100000210202 [0,2,0,0,0,0|2,0,0]=4 18496 B12R1.100 CCNCc1cc(cc(c1)I)Br 207a_100015525214_100010185649 [0,2,0,0,0,0|2,0,0]=4 18497 B12R1.100 CCNCc1cc(cc(c1)I)Br 2230a_100015525214_100010146614 [0,2,0,0,0,0|2,0,0]=4 18498 B12R1.100 CCNCc1cc(cc(c1)I)Br 269862a_100015525214_100010185649 [0,2,0,0,0,0|2,0,0]=4 18499 B12R1.100 CCNCc1cc(cc(c1)I)Br 270004a_100015525214_100010185649 [0,2,0,0,0,0|2,0,0]=4 18500 B12R1.100 CCNCc1cc(cc(c1)I)F 207a_100015525214_100010185655 [0,2,0,0,0,0|2,0,0]=4 18501 B12R1.100 CCNCc1cc(cc(c1)I)F 2230a_100015525214_100010149605 [0,2,0,0,0,0|2,0,0]=4 18502 B12R1.100 CCNCc1cc(cc(c1)I)F 269862a_100015525214_100010185655 [0,2,0,0,0,0|2,0,0]=4 18503 B12R1.100 CCNCc1cc(cc(c1)I)F 270004a_100015525214_100010185655 [0,2,0,0,0,0|2,0,0]=4 18504 B12R1.100 CCNCc1cc(cc(c1)I)I 207a_100015525214_100010185653 [0,2,0,0,0,0|2,0,0]=4 18505 B12R1.100 CCNCc1cc(cc(c1)I)I 269862a_100015525214_100010185653 [0,2,0,0,0,0|2,0,0]=4 18506 B12R1.100 CCNCc1cc(cc(c1)O)C 207a_100015525214_100009853434 [0,2,0,0,0,0|2,0,0]=4 18507 B12R1.100 CCNCc1cc(cc(c1)O)C 270004a_100015525214_100009853434 [0,2,0,0,0,0|2,0,0]=4 18508 B12R1.100 CCNCc1cc(cc(c1)O)O 207a_100015525214_100000043415 [0,2,0,0,0,0|2,0,0]=4 18509 B12R1.100 CCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210202 [0,2,0,0,0,0|2,0,0]=4 18510 B12R1.100 CCNCc1cc(cc(c1)O)O 34a_100159270720_100000210202 [0,2,0,0,0,0|2,0,0]=4 18511 B12R1.100 CCOCc1cc(cc(c1)Br)Br 34a_100011218366_100000210202 [0,2,0,0,0,0|2,0,0]=4 18512 B12R1.100 CCOCc1cc(cc(c1)Br)Br 34a_100121572206_100011216082 [0,2,0,0,0,0|2,0,0]=4 18513 B12R1.100 CCOCc1cc(cc(c1)Br)Br 7a_100011218366_100000210202 [0,2,0,0,0,0|2,0,0]=4 18514 B12R1.100 CCOCc1cc(cc(c1)Br)C 34a_100000720511_100000210202 [0,2,0,0,0,0|2,0,0]=4 18515 B12R1.100 CCOCc1cc(cc(c1)Br)C 34a_100121572206_100012348363 [0,2,0,0,0,0|2,0,0]=4 18516 B12R1.100 CCOCc1cc(cc(c1)Br)C 7a_100000720511_100000210202 [0,2,0,0,0,0|2,0,0]=4 18517 B12R1.100 CCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100000210202 [0,2,0,0,0,0|2,0,0]=4 18518 B12R1.100 CCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100000210202 [0,2,0,0,0,0|2,0,0]=4 18519 B12R1.100 CCOCc1cc(cc(c1)Br)F 34a_100000766897_100000210202 [0,2,0,0,0,0|2,0,0]=4 18520 B12R1.100 CCOCc1cc(cc(c1)Br)F 34a_100121572206_100000766940 [0,2,0,0,0,0|2,0,0]=4 18521 B12R1.100 CCOCc1cc(cc(c1)Br)F 7a_100000766897_100000210202 [0,2,0,0,0,0|2,0,0]=4 18522 B12R1.100 CCOCc1cc(cc(c1)C)C 34a_100011216556_100000210202 [0,2,0,0,0,0|2,0,0]=4 18523 B12R1.100 CCOCc1cc(cc(c1)C)C 34a_100121572206_100000181317 [0,2,0,0,0,0|2,0,0]=4 18524 B12R1.100 CCOCc1cc(cc(c1)C)C 7a_100011216556_100000210202 [0,2,0,0,0,0|2,0,0]=4 18525 B12R1.100 CCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000210202 [0,2,0,0,0,0|2,0,0]=4 18526 B12R1.100 CCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100000210202 [0,2,0,0,0,0|2,0,0]=4 18527 B12R1.100 CCOCc1cc(cc(c1)Cl)F 34a_100011217560_100000210202 [0,2,0,0,0,0|2,0,0]=4 18528 B12R1.100 CCOCc1cc(cc(c1)Cl)F 34a_100121572206_100011219885 [0,2,0,0,0,0|2,0,0]=4 18529 B12R1.100 CCOCc1cc(cc(c1)Cl)F 7a_100011217560_100000210202 [0,2,0,0,0,0|2,0,0]=4 18530 B12R1.100 CCOCc1cc(cc(c1)Cl)N 34a_100012002482_100000210202 [0,2,0,0,0,0|2,0,0]=4 18531 B12R1.100 CCOCc1cc(cc(c1)Cl)N 7a_100012002482_100000210202 [0,2,0,0,0,0|2,0,0]=4 18532 B12R1.100 CCOCc1cc(cc(c1)F)C 34a_100011217934_100000210202 [0,2,0,0,0,0|2,0,0]=4 18533 B12R1.100 CCOCc1cc(cc(c1)F)C 34a_100121572206_100011219130 [0,2,0,0,0,0|2,0,0]=4 18534 B12R1.100 CCOCc1cc(cc(c1)F)C 7a_100011217934_100000210202 [0,2,0,0,0,0|2,0,0]=4 18535 B12R1.100 CCOCc1cc(cc(c1)F)F 34a_100011215443_100000210202 [0,2,0,0,0,0|2,0,0]=4 18536 B12R1.100 CCOCc1cc(cc(c1)F)F 34a_100121572206_100000697002 [0,2,0,0,0,0|2,0,0]=4 18537 B12R1.100 CCOCc1cc(cc(c1)F)F 7a_100011215443_100000210202 [0,2,0,0,0,0|2,0,0]=4 18538 B12R1.100 CCOCc1cc(cc(c1)I)Br 34a_100121572206_100010146614 [0,2,0,0,0,0|2,0,0]=4 18539 B12R1.100 CCOCc1cc(cc(c1)I)Br 7a_100009814756_100000210202 [0,2,0,0,0,0|2,0,0]=4 18540 B12R1.100 CCOCc1cc(cc(c1)I)F 34a_100010149598_100000210202 [0,2,0,0,0,0|2,0,0]=4 18541 B12R1.100 CCOCc1cc(cc(c1)I)F 34a_100121572206_100010149605 [0,2,0,0,0,0|2,0,0]=4 18542 B12R1.100 CCOCc1cc(cc(c1)I)F 7a_100010149598_100000210202 [0,2,0,0,0,0|2,0,0]=4 18543 B12R1.100 CCOCc1cc(cc(c1)I)I 7a_100010205817_100000210202 [0,2,0,0,0,0|2,0,0]=4 18544 B12R1.100 CCOCc1cc(cc(c1)N)N 34a_100000032468_100000210202 [0,2,0,0,0,0|2,0,0]=4 18545 B12R1.100 CCSCc1cc(cc(c1)Br)Br 62a_100000210202_100011216082 [0,2,0,0,0,0|2,0,0]=4 18546 B12R1.100 CCSCc1cc(cc(c1)Br)Br 62a_100011216082_100000210202 [0,2,0,0,0,0|2,0,0]=4 18547 B12R1.100 CCSCc1cc(cc(c1)Br)C 62a_100000210202_100012348363 [0,2,0,0,0,0|2,0,0]=4 18548 B12R1.100 CCSCc1cc(cc(c1)Br)C 62a_100012348363_100000210202 [0,2,0,0,0,0|2,0,0]=4 18549 B12R1.100 CCSCc1cc(cc(c1)Br)F 62a_100000210202_100000766940 [0,2,0,0,0,0|2,0,0]=4 18550 B12R1.100 CCSCc1cc(cc(c1)Br)F 62a_100000766940_100000210202 [0,2,0,0,0,0|2,0,0]=4 18551 B12R1.100 CCSCc1cc(cc(c1)C)C 62a_100000181317_100000210202 [0,2,0,0,0,0|2,0,0]=4 18552 B12R1.100 CCSCc1cc(cc(c1)C)C 62a_100000210202_100000181317 [0,2,0,0,0,0|2,0,0]=4 18553 B12R1.100 CCSCc1cc(cc(c1)Cl)Cl 62a_100000210202_100011219208 [0,2,0,0,0,0|2,0,0]=4 18554 B12R1.100 CCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000210202 [0,2,0,0,0,0|2,0,0]=4 18555 B12R1.100 CCSCc1cc(cc(c1)Cl)F 62a_100000210202_100011219885 [0,2,0,0,0,0|2,0,0]=4 18556 B12R1.100 CCSCc1cc(cc(c1)Cl)F 62a_100011219885_100000210202 [0,2,0,0,0,0|2,0,0]=4 18557 B12R1.100 CCSCc1cc(cc(c1)F)C 62a_100000210202_100011219130 [0,2,0,0,0,0|2,0,0]=4 18558 B12R1.100 CCSCc1cc(cc(c1)F)C 62a_100011219130_100000210202 [0,2,0,0,0,0|2,0,0]=4 18559 B12R1.100 CCSCc1cc(cc(c1)F)F 62a_100000210202_100000697002 [0,2,0,0,0,0|2,0,0]=4 18560 B12R1.100 CCSCc1cc(cc(c1)F)F 62a_100000697002_100000210202 [0,2,0,0,0,0|2,0,0]=4 18561 B12R1.100 CCSCc1cc(cc(c1)I)Br 62a_100000210202_100010146614 [0,2,0,0,0,0|2,0,0]=4 18562 B12R1.100 CCSCc1cc(cc(c1)I)Br 62a_100010146614_100000210202 [0,2,0,0,0,0|2,0,0]=4 18563 B12R1.100 CCSCc1cc(cc(c1)I)F 62a_100000210202_100010149605 [0,2,0,0,0,0|2,0,0]=4 18564 B12R1.100 CCSCc1cc(cc(c1)I)F 62a_100010149605_100000210202 [0,2,0,0,0,0|2,0,0]=4 18565 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200000210301 [0,2,0,0,0,0|2,0,0]=4 18566 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_106832991635_100000691793 [0,2,0,0,0,0|2,0,0]=4 18567 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200000210301 [0,2,0,0,0,0|2,0,0]=4 18568 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100102657272_100000691793 [0,2,0,0,0,0|2,0,0]=4 18569 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 7a_106832991635_100000691793 [0,2,0,0,0,0|2,0,0]=4 18570 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_100000748410_200000210301 [0,2,0,0,0,0|2,0,0]=4 18571 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_106832991635_100011754442 [0,2,0,0,0,0|2,0,0]=4 18572 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100000748410_200000210301 [0,2,0,0,0,0|2,0,0]=4 18573 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100102657272_100011754442 [0,2,0,0,0,0|2,0,0]=4 18574 B12R1.100 CNCCc1cc(cc(c1)F)F 7a_106832991635_100011754442 [0,2,0,0,0,0|2,0,0]=4 18575 B12R1.100 COCCc1cc(cc(c1)Br)Br 34a_100010243668_200000210301 [0,2,0,0,0,0|2,0,0]=4 18576 B12R1.100 COCCc1cc(cc(c1)Br)Br 7a_100010243668_200000210301 [0,2,0,0,0,0|2,0,0]=4 18577 B12R1.100 COCCc1cc(cc(c1)Br)F 34a_100012630564_200000210301 [0,2,0,0,0,0|2,0,0]=4 18578 B12R1.100 COCCc1cc(cc(c1)Br)F 7a_100012630564_200000210301 [0,2,0,0,0,0|2,0,0]=4 18579 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200000210301 [0,2,0,0,0,0|2,0,0]=4 18580 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100138415774_100000691793 [0,2,0,0,0,0|2,0,0]=4 18581 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200000210301 [0,2,0,0,0,0|2,0,0]=4 18582 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100011754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 18583 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100138415774_100011754442 [0,2,0,0,0,0|2,0,0]=4 18584 B12R1.100 COCCc1cc(cc(c1)F)F 7a_100011754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 18585 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200000210301 [0,2,0,0,0,0|2,0,0]=4 18586 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_200000210301_100000691793 [0,2,0,0,0,0|2,0,0]=4 18587 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_100011754442_200000210301 [0,2,0,0,0,0|2,0,0]=4 18588 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_200000210301_100011754442 [0,2,0,0,0,0|2,0,0]=4 18589 B12R1.100 Cc1cc(=O)cc(o1)OCCO 34a_100016989201_100000211926 [0,2,0,0,0,0|2,0,0]=4 18590 B12R1.100 Cc1cc(cc(=O)[nH]1)NCCO 27a_100000210304_100009861981 [0,2,0,0,0,0|2,0,0]=4 18591 B12R1.100 Cc1cc(cc(=O)[nH]1)OCCO 34a_100000039070_100000211926 [0,2,0,0,0,0|2,0,0]=4 18592 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100000211926_100009861981 [0,2,0,0,0,0|2,0,0]=4 18593 B12R1.100 Cc1cc(cc(=O)[nH]1)SCCO 62a_100009861981_100000211926 [0,2,0,0,0,0|2,0,0]=4 18594 B12R1.100 Cc1cc(cc(=O)o1)OCCO 34a_100000210952_100000211926 [0,2,0,0,0,0|2,0,0]=4 18595 B12R1.100 Cc1cc(cc(=O)o1)OCCO 7a_100000210952_100000211926 [0,2,0,0,0,0|2,0,0]=4 18596 B12R1.100 Cc1cc(cc(c1)CNCF)C 34a_100020591340_100015361967 [0,2,0,0,0,0|2,0,0]=4 18597 B12R1.100 Cc1cc(cc(c1)CNCF)F 34a_100011830484_100015361967 [0,2,0,0,0,0|2,0,0]=4 18598 B12R1.100 Cc1cc(cc(c1)COCF)Br 34a_100000720511_100015361967 [0,2,0,0,0,0|2,0,0]=4 18599 B12R1.100 Cc1cc(cc(c1)COCF)Br 7a_100000720511_100015361967 [0,2,0,0,0,0|2,0,0]=4 18600 B12R1.100 Cc1cc(cc(c1)COCF)C 34a_100011216556_100015361967 [0,2,0,0,0,0|2,0,0]=4 18601 B12R1.100 Cc1cc(cc(c1)COCF)C 7a_100011216556_100015361967 [0,2,0,0,0,0|2,0,0]=4 18602 B12R1.100 Cc1cc(cc(c1)COCF)F 34a_100011217934_100015361967 [0,2,0,0,0,0|2,0,0]=4 18603 B12R1.100 Cc1cc(cc(c1)COCF)F 7a_100011217934_100015361967 [0,2,0,0,0,0|2,0,0]=4 18604 B12R1.100 Cc1cc(cc(c1)CSCF)Br 62a_100012348363_100015361967 [0,2,0,0,0,0|2,0,0]=4 18605 B12R1.100 Cc1cc(cc(c1)CSCF)Br 62a_100015361967_100012348363 [0,2,0,0,0,0|2,0,0]=4 18606 B12R1.100 Cc1cc(cc(c1)CSCF)C 62a_100000181317_100015361967 [0,2,0,0,0,0|2,0,0]=4 18607 B12R1.100 Cc1cc(cc(c1)CSCF)C 62a_100015361967_100000181317 [0,2,0,0,0,0|2,0,0]=4 18608 B12R1.100 Cc1cc(cc(c1)CSCF)F 62a_100011219130_100015361967 [0,2,0,0,0,0|2,0,0]=4 18609 B12R1.100 Cc1cc(cc(c1)CSCF)F 62a_100015361967_100011219130 [0,2,0,0,0,0|2,0,0]=4 18610 B12R1.100 Cc1cc(cc(c1)NCCF)Br 34a_100000695972_100011217306 [0,2,0,0,0,0|2,0,0]=4 18611 B12R1.100 Cc1cc(cc(c1)NCCF)Br 7a_100000695972_100011217306 [0,2,0,0,0,0|2,0,0]=4 18612 B12R1.100 Cc1cc(cc(c1)NCCF)C 2230a_100000210930_100011217306 [0,2,0,0,0,0|2,0,0]=4 18613 B12R1.100 Cc1cc(cc(c1)NCCF)C 34a_100000210930_100011217306 [0,2,0,0,0,0|2,0,0]=4 18614 B12R1.100 Cc1cc(cc(c1)NCCF)C 7a_100000210930_100011217306 [0,2,0,0,0,0|2,0,0]=4 18615 B12R1.100 Cc1cc(cc(c1)NCCF)Cl 2230a_100012022512_100011217306 [0,2,0,0,0,0|2,0,0]=4 18616 B12R1.100 Cc1cc(cc(c1)NCCF)Cl 34a_100012022512_100011217306 [0,2,0,0,0,0|2,0,0]=4 18617 B12R1.100 Cc1cc(cc(c1)NCCF)Cl 7a_100012022512_100011217306 [0,2,0,0,0,0|2,0,0]=4 18618 B12R1.100 Cc1cc(cc(c1)NCCF)F 2230a_100000742734_100011217306 [0,2,0,0,0,0|2,0,0]=4 18619 B12R1.100 Cc1cc(cc(c1)NCCF)F 34a_100000742734_100011217306 [0,2,0,0,0,0|2,0,0]=4 18620 B12R1.100 Cc1cc(cc(c1)NCCF)F 7a_100000742734_100011217306 [0,2,0,0,0,0|2,0,0]=4 18621 B12R1.100 Cc1cc(cc(c1)NCCF)O 34a_100011995906_100011217306 [0,2,0,0,0,0|2,0,0]=4 18622 B12R1.100 Cc1cc(cc(c1)NCCF)O 7a_100011995906_100011217306 [0,2,0,0,0,0|2,0,0]=4 18623 B12R1.100 Cc1cc(cc(c1)NCCO)Br 34a_100000695972_100000211926 [0,2,0,0,0,0|1,0,0]=3 18624 B12R1.100 Cc1cc(cc(c1)NCCO)Br 7a_100000695972_100000211926 [0,2,0,0,0,0|1,0,0]=3 18625 B12R1.100 Cc1cc(cc(c1)NCCO)C 2230a_100000210930_100000211926 [0,2,0,0,0,0|1,0,0]=3 18626 B12R1.100 Cc1cc(cc(c1)NCCO)C 34a_100000210930_100000211926 [0,2,0,0,0,0|1,0,0]=3 18627 B12R1.100 Cc1cc(cc(c1)NCCO)C 7a_100000210930_100000211926 [0,2,0,0,0,0|1,0,0]=3 18628 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 2230a_100012022512_100000211926 [0,2,0,0,0,0|1,0,0]=3 18629 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 34a_100012022512_100000211926 [0,2,0,0,0,0|1,0,0]=3 18630 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 7a_100012022512_100000211926 [0,2,0,0,0,0|1,0,0]=3 18631 B12R1.100 Cc1cc(cc(c1)NCCO)F 2230a_100000742734_100000211926 [0,2,0,0,0,0|1,0,0]=3 18632 B12R1.100 Cc1cc(cc(c1)NCCO)F 34a_100000742734_100000211926 [0,2,0,0,0,0|1,0,0]=3 18633 B12R1.100 Cc1cc(cc(c1)NCCO)F 7a_100000742734_100000211926 [0,2,0,0,0,0|1,0,0]=3 18634 B12R1.100 Cc1cc(cc(c1)NCCO)O 34a_100011995906_100000211926 [0,2,0,0,0,0|1,0,0]=3 18635 B12R1.100 Cc1cc(cc(c1)NCCO)O 7a_100011995906_100000211926 [0,2,0,0,0,0|1,0,0]=3 18636 B12R1.100 Cc1cc(cc(c1)OCCF)Br 34a_100011999630_100011217306 [0,2,0,0,0,0|2,0,0]=4 18637 B12R1.100 Cc1cc(cc(c1)OCCF)Br 7a_100011999630_100011217306 [0,2,0,0,0,0|2,0,0]=4 18638 B12R1.100 Cc1cc(cc(c1)OCCF)C 34a_100000210933_100011217306 [0,2,0,0,0,0|2,0,0]=4 18639 B12R1.100 Cc1cc(cc(c1)OCCF)C 7a_100000210933_100011217306 [0,2,0,0,0,0|2,0,0]=4 18640 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 34a_100000087485_100011217306 [0,2,0,0,0,0|2,0,0]=4 18641 B12R1.100 Cc1cc(cc(c1)OCCF)Cl 7a_100000087485_100011217306 [0,2,0,0,0,0|2,0,0]=4 18642 B12R1.100 Cc1cc(cc(c1)OCCF)F 34a_100011830401_100011217306 [0,2,0,0,0,0|2,0,0]=4 18643 B12R1.100 Cc1cc(cc(c1)OCCF)F 7a_100011830401_100011217306 [0,2,0,0,0,0|2,0,0]=4 18644 B12R1.100 Cc1cc(cc(c1)OCCF)N 34a_100011995906_100011217306 [0,2,0,0,0,0|2,0,0]=4 18645 B12R1.100 Cc1cc(cc(c1)OCCF)N 7a_100011995906_100011217306 [0,2,0,0,0,0|2,0,0]=4 18646 B12R1.100 Cc1cc(cc(c1)OCCO)Br 34a_100011999630_100000211926 [0,2,0,0,0,0|1,0,0]=3 18647 B12R1.100 Cc1cc(cc(c1)OCCO)Br 7a_100011999630_100000211926 [0,2,0,0,0,0|1,0,0]=3 18648 B12R1.100 Cc1cc(cc(c1)OCCO)C 34a_100000210933_100000211926 [0,2,0,0,0,0|1,0,0]=3 18649 B12R1.100 Cc1cc(cc(c1)OCCO)C 7a_100000210933_100000211926 [0,2,0,0,0,0|1,0,0]=3 18650 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 34a_100000087485_100000211926 [0,2,0,0,0,0|1,0,0]=3 18651 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 7a_100000087485_100000211926 [0,2,0,0,0,0|1,0,0]=3 18652 B12R1.100 Cc1cc(cc(c1)OCCO)F 34a_100011830401_100000211926 [0,2,0,0,0,0|1,0,0]=3 18653 B12R1.100 Cc1cc(cc(c1)OCCO)F 7a_100011830401_100000211926 [0,2,0,0,0,0|1,0,0]=3 18654 B12R1.100 Cc1cc(cc(c1)OCCO)N 34a_100011995906_100000211926 [0,2,0,0,0,0|1,0,0]=3 18655 B12R1.100 Cc1cc(cc(c1)OCCO)N 7a_100011995906_100000211926 [0,2,0,0,0,0|1,0,0]=3 18656 B12R1.100 Cc1cc(cc(c1)SCCF)C 62a_100011215608_100011217306 [0,2,0,0,0,0|2,0,0]=4 18657 B12R1.100 Cc1cc(cc(c1)SCCF)C 62a_100011217306_100011215608 [0,2,0,0,0,0|2,0,0]=4 18658 B12R1.100 Cc1cc(cc(c1)SCCF)Cl 62a_100010172791_100011217306 [0,2,0,0,0,0|2,0,0]=4 18659 B12R1.100 Cc1cc(cc(c1)SCCF)Cl 62a_100011217306_100010172791 [0,2,0,0,0,0|2,0,0]=4 18660 B12R1.100 Cc1cc(cc(c1)SCCF)F 62a_100011217306_100011356977 [0,2,0,0,0,0|2,0,0]=4 18661 B12R1.100 Cc1cc(cc(c1)SCCF)F 62a_100011356977_100011217306 [0,2,0,0,0,0|2,0,0]=4 18662 B12R1.100 Cc1cc(cc(c1)SCCF)N 62a_100000695972_100011217306 [0,2,0,0,0,0|2,0,0]=4 18663 B12R1.100 Cc1cc(cc(c1)SCCF)N 62a_100011217306_100000695972 [0,2,0,0,0,0|2,0,0]=4 18664 B12R1.100 Cc1cc(cc(c1)SCCF)O 62a_100011217306_100011999630 [0,2,0,0,0,0|2,0,0]=4 18665 B12R1.100 Cc1cc(cc(c1)SCCO)C 62a_100000211926_100011215608 [0,2,0,0,0,0|1,0,0]=3 18666 B12R1.100 Cc1cc(cc(c1)SCCO)C 62a_100011215608_100000211926 [0,2,0,0,0,0|1,0,0]=3 18667 B12R1.100 Cc1cc(cc(c1)SCCO)Cl 62a_100000211926_100010172791 [0,2,0,0,0,0|1,0,0]=3 18668 B12R1.100 Cc1cc(cc(c1)SCCO)Cl 62a_100010172791_100000211926 [0,2,0,0,0,0|1,0,0]=3 18669 B12R1.100 Cc1cc(cc(c1)SCCO)F 62a_100000211926_100011356977 [0,2,0,0,0,0|1,0,0]=3 18670 B12R1.100 Cc1cc(cc(c1)SCCO)F 62a_100011356977_100000211926 [0,2,0,0,0,0|1,0,0]=3 18671 B12R1.100 Cc1cc(cc(c1)SCCO)N 62a_100000211926_100000695972 [0,2,0,0,0,0|1,0,0]=3 18672 B12R1.100 Cc1cc(cc(c1)SCCO)N 62a_100000695972_100000211926 [0,2,0,0,0,0|1,0,0]=3 18673 B12R1.100 Cc1cc(cc(c1)SCCO)O 62a_100000211926_100011999630 [0,2,0,0,0,0|1,0,0]=3 18674 B12R1.100 Cc1cc(cc(n1)C)NCCO 27a_100000210304_100000066820 [0,2,0,0,0,0|2,0,0]=4 18675 B12R1.100 Cc1cc(cc(n1)C)SCCO 62a_100000066820_100000211926 [0,2,0,0,0,0|2,0,0]=4 18676 B12R1.100 Cc1cc(cc(n1)C)SCCO 62a_100000211926_100000066820 [0,2,0,0,0,0|2,0,0]=4 18677 B12R1.100 Cc1cc(cc(n1)Cl)NCCO 27a_100000210304_100010068023 [0,2,0,0,0,0|2,0,0]=4 18678 B12R1.100 Cc1cc(cc(n1)Cl)SCCO 62a_100000211926_100010068023 [0,2,0,0,0,0|2,0,0]=4 18679 B12R1.100 Cc1cc(cc(n1)Cl)SCCO 62a_100010068023_100000211926 [0,2,0,0,0,0|2,0,0]=4 18680 B12R1.100 Cc1cc(cc(n1)F)NCCO 27a_100000210304_100010006595 [0,2,0,0,0,0|2,0,0]=4 18681 B12R1.100 Cc1cc(cc(n1)F)SCCO 62a_100000211926_100010006595 [0,2,0,0,0,0|2,0,0]=4 18682 B12R1.100 Cc1cc(cc(n1)F)SCCO 62a_100010006595_100000211926 [0,2,0,0,0,0|2,0,0]=4 18683 B12R1.100 Cc1cc(cc(n1)N)SCCO 62a_100000076705_100000211926 [0,2,0,0,0,0|2,0,0]=4 18684 B12R1.100 Cc1cc(cc(n1)N)SCCO 62a_100000211926_100000076705 [0,2,0,0,0,0|2,0,0]=4 18685 B12R1.100 Cc1cc(cc(n1)SCCO)N 62a_100000071261_100000211926 [0,2,0,0,0,0|2,0,0]=4 18686 B12R1.100 Cc1cc(cc(n1)SCCO)N 62a_100000211926_100000071261 [0,2,0,0,0,0|2,0,0]=4 18687 B12R1.100 Cc1cc(nc(c1)NCCO)C 27a_100000210304_100000069240 [0,2,0,0,0,0|2,0,0]=4 18688 B12R1.100 Cc1cc(nc(c1)NCCO)F 27a_100000210304_100009819601 [0,2,0,0,0,0|2,0,0]=4 18689 B12R1.100 Cc1cc(nc(c1)SCCO)C 62a_100000069240_100000211926 [0,2,0,0,0,0|2,0,0]=4 18690 B12R1.100 Cc1cc(nc(c1)SCCO)C 62a_100000211926_100000069240 [0,2,0,0,0,0|2,0,0]=4 18691 B12R1.100 Cc1cc(nc(c1)SCCO)F 62a_100000211926_100009819601 [0,2,0,0,0,0|2,0,0]=4 18692 B12R1.100 Cc1cc(nc(c1)SCCO)F 62a_100009819601_100000211926 [0,2,0,0,0,0|2,0,0]=4 18693 B12R1.100 Cc1cc(nc(c1)SCCO)N 62a_100000211926_100009819863 [0,2,0,0,0,0|2,0,0]=4 18694 B12R1.100 Cc1cc(nc(c1)SCCO)N 62a_100009819863_100000211926 [0,2,0,0,0,0|2,0,0]=4 18695 B12R1.100 FCCNc1cc(cc(c1)Br)Br 34a_100012047176_100011217306 [0,2,0,0,0,0|2,0,0]=4 18696 B12R1.100 FCCNc1cc(cc(c1)Br)Br 7a_100012047176_100011217306 [0,2,0,0,0,0|2,0,0]=4 18697 B12R1.100 FCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100011217306 [0,2,0,0,0,0|2,0,0]=4 18698 B12R1.100 FCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100011217306 [0,2,0,0,0,0|2,0,0]=4 18699 B12R1.100 FCCNc1cc(cc(c1)Br)F 34a_100000705686_100011217306 [0,2,0,0,0,0|2,0,0]=4 18700 B12R1.100 FCCNc1cc(cc(c1)Br)F 7a_100000705686_100011217306 [0,2,0,0,0,0|2,0,0]=4 18701 B12R1.100 FCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100011217306 [0,2,0,0,0,0|2,0,0]=4 18702 B12R1.100 FCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100011217306 [0,2,0,0,0,0|2,0,0]=4 18703 B12R1.100 FCCNc1cc(cc(c1)Cl)F 34a_100000686136_100011217306 [0,2,0,0,0,0|2,0,0]=4 18704 B12R1.100 FCCNc1cc(cc(c1)Cl)F 7a_100000686136_100011217306 [0,2,0,0,0,0|2,0,0]=4 18705 B12R1.100 FCCNc1cc(cc(c1)F)F 34a_100000233717_100011217306 [0,2,0,0,0,0|2,0,0]=4 18706 B12R1.100 FCCNc1cc(cc(c1)F)F 7a_100000233717_100011217306 [0,2,0,0,0,0|2,0,0]=4 18707 B12R1.100 FCCNc1cc(cc(c1)I)Br 7a_100009814763_100011217306 [0,2,0,0,0,0|2,0,0]=4 18708 B12R1.100 FCCNc1cc(cc(c1)I)Cl 7a_100010147676_100011217306 [0,2,0,0,0,0|2,0,0]=4 18709 B12R1.100 FCCNc1cc(cc(c1)I)F 34a_100011356972_100011217306 [0,2,0,0,0,0|2,0,0]=4 18710 B12R1.100 FCCNc1cc(cc(c1)I)F 7a_100011356972_100011217306 [0,2,0,0,0,0|2,0,0]=4 18711 B12R1.100 FCCNc1cc(cc(c1)I)I 7a_200000696836_100011217306 [0,2,0,0,0,0|2,0,0]=4 18712 B12R1.100 FCCOc1cc(cc(c1)Br)Br 34a_100010167048_100011217306 [0,2,0,0,0,0|2,0,0]=4 18713 B12R1.100 FCCOc1cc(cc(c1)Br)Br 7a_100010167048_100011217306 [0,2,0,0,0,0|2,0,0]=4 18714 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011217306 [0,2,0,0,0,0|2,0,0]=4 18715 B12R1.100 FCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100011217306 [0,2,0,0,0,0|2,0,0]=4 18716 B12R1.100 FCCOc1cc(cc(c1)Br)F 34a_100000688818_100011217306 [0,2,0,0,0,0|2,0,0]=4 18717 B12R1.100 FCCOc1cc(cc(c1)Br)F 7a_100000688818_100011217306 [0,2,0,0,0,0|2,0,0]=4 18718 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011217306 [0,2,0,0,0,0|2,0,0]=4 18719 B12R1.100 FCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100011217306 [0,2,0,0,0,0|2,0,0]=4 18720 B12R1.100 FCCOc1cc(cc(c1)Cl)F 34a_100011219751_100011217306 [0,2,0,0,0,0|2,0,0]=4 18721 B12R1.100 FCCOc1cc(cc(c1)Cl)F 7a_100011219751_100011217306 [0,2,0,0,0,0|2,0,0]=4 18722 B12R1.100 FCCOc1cc(cc(c1)F)F 34a_100000747503_100011217306 [0,2,0,0,0,0|2,0,0]=4 18723 B12R1.100 FCCOc1cc(cc(c1)F)F 7a_100000747503_100011217306 [0,2,0,0,0,0|2,0,0]=4 18724 B12R1.100 FCCOc1cc(cc(c1)I)Br 34a_100010068917_100011217306 [0,2,0,0,0,0|2,0,0]=4 18725 B12R1.100 FCCOc1cc(cc(c1)I)Br 7a_100010068917_100011217306 [0,2,0,0,0,0|2,0,0]=4 18726 B12R1.100 FCCOc1cc(cc(c1)I)Cl 34a_100010068924_100011217306 [0,2,0,0,0,0|2,0,0]=4 18727 B12R1.100 FCCOc1cc(cc(c1)I)Cl 7a_100010068924_100011217306 [0,2,0,0,0,0|2,0,0]=4 18728 B12R1.100 FCCOc1cc(cc(c1)I)F 34a_100000717995_100011217306 [0,2,0,0,0,0|2,0,0]=4 18729 B12R1.100 FCCOc1cc(cc(c1)I)F 7a_100000717995_100011217306 [0,2,0,0,0,0|2,0,0]=4 18730 B12R1.100 FCCSc1cc(cc(c1)Br)Br 62a_100009814770_100011217306 [0,2,0,0,0,0|2,0,0]=4 18731 B12R1.100 FCCSc1cc(cc(c1)Br)Br 62a_100011217306_100009814770 [0,2,0,0,0,0|2,0,0]=4 18732 B12R1.100 FCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100011217306 [0,2,0,0,0,0|2,0,0]=4 18733 B12R1.100 FCCSc1cc(cc(c1)Br)Cl 62a_100011217306_100009814755 [0,2,0,0,0,0|2,0,0]=4 18734 B12R1.100 FCCSc1cc(cc(c1)Br)F 62a_100009814764_100011217306 [0,2,0,0,0,0|2,0,0]=4 18735 B12R1.100 FCCSc1cc(cc(c1)Br)F 62a_100011217306_100009814764 [0,2,0,0,0,0|2,0,0]=4 18736 B12R1.100 FCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100011217306 [0,2,0,0,0,0|2,0,0]=4 18737 B12R1.100 FCCSc1cc(cc(c1)Cl)Cl 62a_100011217306_100000747138 [0,2,0,0,0,0|2,0,0]=4 18738 B12R1.100 FCCSc1cc(cc(c1)Cl)F 62a_100011217306_100013859453 [0,2,0,0,0,0|2,0,0]=4 18739 B12R1.100 FCCSc1cc(cc(c1)Cl)F 62a_100013859453_100011217306 [0,2,0,0,0,0|2,0,0]=4 18740 B12R1.100 FCCSc1cc(cc(c1)F)F 62a_100000233788_100011217306 [0,2,0,0,0,0|2,0,0]=4 18741 B12R1.100 FCCSc1cc(cc(c1)F)F 62a_100011217306_100000233788 [0,2,0,0,0,0|2,0,0]=4 18742 B12R1.100 FCNCc1cc(cc(c1)Br)Br 34a_100015211796_100015361967 [0,2,0,0,0,0|2,0,0]=4 18743 B12R1.100 FCNCc1cc(cc(c1)Br)F 34a_100020611034_100015361967 [0,2,0,0,0,0|2,0,0]=4 18744 B12R1.100 FCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100015361967 [0,2,0,0,0,0|2,0,0]=4 18745 B12R1.100 FCNCc1cc(cc(c1)Cl)F 34a_100137329012_100015361967 [0,2,0,0,0,0|2,0,0]=4 18746 B12R1.100 FCNCc1cc(cc(c1)F)F 34a_100000737602_100015361967 [0,2,0,0,0,0|2,0,0]=4 18747 B12R1.100 FCOCc1cc(cc(c1)Br)Br 34a_100011218366_100015361967 [0,2,0,0,0,0|2,0,0]=4 18748 B12R1.100 FCOCc1cc(cc(c1)Br)Br 7a_100011218366_100015361967 [0,2,0,0,0,0|2,0,0]=4 18749 B12R1.100 FCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100015361967 [0,2,0,0,0,0|2,0,0]=4 18750 B12R1.100 FCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100015361967 [0,2,0,0,0,0|2,0,0]=4 18751 B12R1.100 FCOCc1cc(cc(c1)Br)F 34a_100000766897_100015361967 [0,2,0,0,0,0|2,0,0]=4 18752 B12R1.100 FCOCc1cc(cc(c1)Br)F 7a_100000766897_100015361967 [0,2,0,0,0,0|2,0,0]=4 18753 B12R1.100 FCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100015361967 [0,2,0,0,0,0|2,0,0]=4 18754 B12R1.100 FCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100015361967 [0,2,0,0,0,0|2,0,0]=4 18755 B12R1.100 FCOCc1cc(cc(c1)Cl)F 34a_100011217560_100015361967 [0,2,0,0,0,0|2,0,0]=4 18756 B12R1.100 FCOCc1cc(cc(c1)Cl)F 7a_100011217560_100015361967 [0,2,0,0,0,0|2,0,0]=4 18757 B12R1.100 FCOCc1cc(cc(c1)F)F 34a_100011215443_100015361967 [0,2,0,0,0,0|2,0,0]=4 18758 B12R1.100 FCOCc1cc(cc(c1)F)F 7a_100011215443_100015361967 [0,2,0,0,0,0|2,0,0]=4 18759 B12R1.100 FCOCc1cc(cc(c1)I)Br 7a_100009814756_100015361967 [0,2,0,0,0,0|2,0,0]=4 18760 B12R1.100 FCOCc1cc(cc(c1)I)F 34a_100010149598_100015361967 [0,2,0,0,0,0|2,0,0]=4 18761 B12R1.100 FCOCc1cc(cc(c1)I)F 7a_100010149598_100015361967 [0,2,0,0,0,0|2,0,0]=4 18762 B12R1.100 FCOCc1cc(cc(c1)I)I 7a_100010205817_100015361967 [0,2,0,0,0,0|2,0,0]=4 18763 B12R1.100 FCSCc1cc(cc(c1)Br)Br 62a_100011216082_100015361967 [0,2,0,0,0,0|2,0,0]=4 18764 B12R1.100 FCSCc1cc(cc(c1)Br)Br 62a_100015361967_100011216082 [0,2,0,0,0,0|2,0,0]=4 18765 B12R1.100 FCSCc1cc(cc(c1)Br)F 62a_100000766940_100015361967 [0,2,0,0,0,0|2,0,0]=4 18766 B12R1.100 FCSCc1cc(cc(c1)Br)F 62a_100015361967_100000766940 [0,2,0,0,0,0|2,0,0]=4 18767 B12R1.100 FCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100015361967 [0,2,0,0,0,0|2,0,0]=4 18768 B12R1.100 FCSCc1cc(cc(c1)Cl)Cl 62a_100015361967_100011219208 [0,2,0,0,0,0|2,0,0]=4 18769 B12R1.100 FCSCc1cc(cc(c1)Cl)F 62a_100011219885_100015361967 [0,2,0,0,0,0|2,0,0]=4 18770 B12R1.100 FCSCc1cc(cc(c1)Cl)F 62a_100015361967_100011219885 [0,2,0,0,0,0|2,0,0]=4 18771 B12R1.100 FCSCc1cc(cc(c1)F)F 62a_100000697002_100015361967 [0,2,0,0,0,0|2,0,0]=4 18772 B12R1.100 FCSCc1cc(cc(c1)F)F 62a_100015361967_100000697002 [0,2,0,0,0,0|2,0,0]=4 18773 B12R1.100 FCSCc1cc(cc(c1)I)Br 62a_100010146614_100015361967 [0,2,0,0,0,0|2,0,0]=4 18774 B12R1.100 FCSCc1cc(cc(c1)I)Br 62a_100015361967_100010146614 [0,2,0,0,0,0|2,0,0]=4 18775 B12R1.100 FCSCc1cc(cc(c1)I)F 62a_100010149605_100015361967 [0,2,0,0,0,0|2,0,0]=4 18776 B12R1.100 FCSCc1cc(cc(c1)I)F 62a_100015361967_100010149605 [0,2,0,0,0,0|2,0,0]=4 18777 B12R1.100 Nc1cc(cc(c1)COCF)Cl 34a_100012002482_100015361967 [0,2,0,0,0,0|2,0,0]=4 18778 B12R1.100 Nc1cc(cc(c1)COCF)Cl 7a_100012002482_100015361967 [0,2,0,0,0,0|2,0,0]=4 18779 B12R1.100 Nc1cc(cc(c1)COCF)N 34a_100000032468_100015361967 [0,2,0,0,0,0|2,0,0]=4 18780 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 34a_100000123917_100011217306 [0,2,0,0,0,0|2,0,0]=4 18781 B12R1.100 Nc1cc(cc(c1)OCCF)Cl 7a_100000123917_100011217306 [0,2,0,0,0,0|2,0,0]=4 18782 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 34a_100000123917_100000211926 [0,2,0,0,0,0|1,0,0]=3 18783 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 7a_100000123917_100000211926 [0,2,0,0,0,0|1,0,0]=3 18784 B12R1.100 Nc1cc(cc(c1)SCCF)Br 62a_100009814763_100011217306 [0,2,0,0,0,0|2,0,0]=4 18785 B12R1.100 Nc1cc(cc(c1)SCCF)Br 62a_100011217306_100009814763 [0,2,0,0,0,0|2,0,0]=4 18786 B12R1.100 Nc1cc(cc(c1)SCCF)Cl 62a_100010147676_100011217306 [0,2,0,0,0,0|2,0,0]=4 18787 B12R1.100 Nc1cc(cc(c1)SCCF)Cl 62a_100011217306_100010147676 [0,2,0,0,0,0|2,0,0]=4 18788 B12R1.100 Nc1cc(cc(c1)SCCF)F 62a_100011217306_100011356972 [0,2,0,0,0,0|2,0,0]=4 18789 B12R1.100 Nc1cc(cc(c1)SCCF)F 62a_100011356972_100011217306 [0,2,0,0,0,0|2,0,0]=4 18790 B12R1.100 Nc1cc(cc(c1)SCCF)N 62a_100011217306_100011999608 [0,2,0,0,0,0|2,0,0]=4 18791 B12R1.100 Nc1cc(cc(c1)SCCF)N 62a_100011999608_100011217306 [0,2,0,0,0,0|2,0,0]=4 18792 B12R1.100 Nc1cc(cc(c1)SCCO)Br 62a_100000211926_100009814763 [0,2,0,0,0,0|1,0,0]=3 18793 B12R1.100 Nc1cc(cc(c1)SCCO)Br 62a_100009814763_100000211926 [0,2,0,0,0,0|1,0,0]=3 18794 B12R1.100 Nc1cc(cc(c1)SCCO)Cl 62a_100000211926_100010147676 [0,2,0,0,0,0|1,0,0]=3 18795 B12R1.100 Nc1cc(cc(c1)SCCO)Cl 62a_100010147676_100000211926 [0,2,0,0,0,0|1,0,0]=3 18796 B12R1.100 Nc1cc(cc(c1)SCCO)F 62a_100000211926_100011356972 [0,2,0,0,0,0|1,0,0]=3 18797 B12R1.100 Nc1cc(cc(c1)SCCO)F 62a_100011356972_100000211926 [0,2,0,0,0,0|1,0,0]=3 18798 B12R1.100 Nc1cc(cc(c1)SCCO)N 62a_100000211926_100011999608 [0,2,0,0,0,0|1,0,0]=3 18799 B12R1.100 Nc1cc(cc(c1)SCCO)N 62a_100011999608_100000211926 [0,2,0,0,0,0|1,0,0]=3 18800 B12R1.100 Nc1cc(cc(n1)Cl)SCCO 62a_100000211926_200011084131 [0,2,0,0,0,0|2,0,0]=4 18801 B12R1.100 Nc1cc(cc(n1)Cl)SCCO 62a_200011084131_100000211926 [0,2,0,0,0,0|2,0,0]=4 18802 B12R1.100 Nc1cc(cc(n1)N)SCCO 62a_100009816676_100000211926 [0,2,0,0,0,0|2,0,0]=4 18803 B12R1.100 Nc1cc(nc(c1)SCCO)O 62a_100000211926_200012179554 [0,2,0,0,0,0|2,0,0]=4 18804 B12R1.100 OCCNc1cc(cc(c1)Br)Br 27a_100000210304_100009814770 [0,2,0,0,0,0|1,0,0]=3 18805 B12R1.100 OCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000211926 [0,2,0,0,0,0|1,0,0]=3 18806 B12R1.100 OCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000211926 [0,2,0,0,0,0|1,0,0]=3 18807 B12R1.100 OCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000211926 [0,2,0,0,0,0|1,0,0]=3 18808 B12R1.100 OCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000211926 [0,2,0,0,0,0|1,0,0]=3 18809 B12R1.100 OCCNc1cc(cc(c1)Br)F 34a_100000705686_100000211926 [0,2,0,0,0,0|1,0,0]=3 18810 B12R1.100 OCCNc1cc(cc(c1)Br)F 7a_100000705686_100000211926 [0,2,0,0,0,0|1,0,0]=3 18811 B12R1.100 OCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000211926 [0,2,0,0,0,0|1,0,0]=3 18812 B12R1.100 OCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000211926 [0,2,0,0,0,0|1,0,0]=3 18813 B12R1.100 OCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000211926 [0,2,0,0,0,0|1,0,0]=3 18814 B12R1.100 OCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000211926 [0,2,0,0,0,0|1,0,0]=3 18815 B12R1.100 OCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000211926 [0,2,0,0,0,0|1,0,0]=3 18816 B12R1.100 OCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000211926 [0,2,0,0,0,0|1,0,0]=3 18817 B12R1.100 OCCNc1cc(cc(c1)F)F 34a_100000233717_100000211926 [0,2,0,0,0,0|1,0,0]=3 18818 B12R1.100 OCCNc1cc(cc(c1)F)F 7a_100000233717_100000211926 [0,2,0,0,0,0|1,0,0]=3 18819 B12R1.100 OCCNc1cc(cc(c1)I)Br 7a_100009814763_100000211926 [0,2,0,0,0,0|1,0,0]=3 18820 B12R1.100 OCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000211926 [0,2,0,0,0,0|1,0,0]=3 18821 B12R1.100 OCCNc1cc(cc(c1)I)F 34a_100011356972_100000211926 [0,2,0,0,0,0|1,0,0]=3 18822 B12R1.100 OCCNc1cc(cc(c1)I)F 7a_100011356972_100000211926 [0,2,0,0,0,0|1,0,0]=3 18823 B12R1.100 OCCNc1cc(cc(c1)I)I 7a_200000696836_100000211926 [0,2,0,0,0,0|1,0,0]=3 18824 B12R1.100 OCCNc1cc(cc(c1)O)O 34a_100000043371_100000211926 [0,2,0,0,0,0|1,0,0]=3 18825 B12R1.100 OCCNc1cc(nc(c1)Cl)F 27a_100000210304_100011069727 [0,2,0,0,0,0|2,0,0]=4 18826 B12R1.100 OCCNc1cc(nc(c1)F)F 27a_100000210304_100000049587 [0,2,0,0,0,0|2,0,0]=4 18827 B12R1.100 OCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000211926 [0,2,0,0,0,0|1,0,0]=3 18828 B12R1.100 OCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000211926 [0,2,0,0,0,0|1,0,0]=3 18829 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000211926 [0,2,0,0,0,0|1,0,0]=3 18830 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000211926 [0,2,0,0,0,0|1,0,0]=3 18831 B12R1.100 OCCOc1cc(cc(c1)Br)F 34a_100000688818_100000211926 [0,2,0,0,0,0|1,0,0]=3 18832 B12R1.100 OCCOc1cc(cc(c1)Br)F 7a_100000688818_100000211926 [0,2,0,0,0,0|1,0,0]=3 18833 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000211926 [0,2,0,0,0,0|1,0,0]=3 18834 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000211926 [0,2,0,0,0,0|1,0,0]=3 18835 B12R1.100 OCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000211926 [0,2,0,0,0,0|1,0,0]=3 18836 B12R1.100 OCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000211926 [0,2,0,0,0,0|1,0,0]=3 18837 B12R1.100 OCCOc1cc(cc(c1)F)F 34a_100000747503_100000211926 [0,2,0,0,0,0|1,0,0]=3 18838 B12R1.100 OCCOc1cc(cc(c1)F)F 7a_100000747503_100000211926 [0,2,0,0,0,0|1,0,0]=3 18839 B12R1.100 OCCOc1cc(cc(c1)I)Br 34a_100010068917_100000211926 [0,2,0,0,0,0|1,0,0]=3 18840 B12R1.100 OCCOc1cc(cc(c1)I)Br 7a_100010068917_100000211926 [0,2,0,0,0,0|1,0,0]=3 18841 B12R1.100 OCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000211926 [0,2,0,0,0,0|1,0,0]=3 18842 B12R1.100 OCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000211926 [0,2,0,0,0,0|1,0,0]=3 18843 B12R1.100 OCCOc1cc(cc(c1)I)F 34a_100000717995_100000211926 [0,2,0,0,0,0|1,0,0]=3 18844 B12R1.100 OCCOc1cc(cc(c1)I)F 7a_100000717995_100000211926 [0,2,0,0,0,0|1,0,0]=3 18845 B12R1.100 OCCOc1cc(nc(c1)Br)Br 34a_100010172823_100000211926 [0,2,0,0,0,0|2,0,0]=4 18846 B12R1.100 OCCOc1cc(nc(c1)Br)Br 7a_100010172823_100000211926 [0,2,0,0,0,0|2,0,0]=4 18847 B12R1.100 OCCSc1cc(cc(c1)Br)Br 62a_100000211926_100009814770 [0,2,0,0,0,0|1,0,0]=3 18848 B12R1.100 OCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000211926 [0,2,0,0,0,0|1,0,0]=3 18849 B12R1.100 OCCSc1cc(cc(c1)Br)Cl 62a_100000211926_100009814755 [0,2,0,0,0,0|1,0,0]=3 18850 B12R1.100 OCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000211926 [0,2,0,0,0,0|1,0,0]=3 18851 B12R1.100 OCCSc1cc(cc(c1)Br)F 62a_100000211926_100009814764 [0,2,0,0,0,0|1,0,0]=3 18852 B12R1.100 OCCSc1cc(cc(c1)Br)F 62a_100009814764_100000211926 [0,2,0,0,0,0|1,0,0]=3 18853 B12R1.100 OCCSc1cc(cc(c1)Br)O 62a_100000211926_100010068917 [0,2,0,0,0,0|1,0,0]=3 18854 B12R1.100 OCCSc1cc(cc(c1)Br)O 62a_100010068917_100000211926 [0,2,0,0,0,0|1,0,0]=3 18855 B12R1.100 OCCSc1cc(cc(c1)Cl)Cl 62a_100000211926_100000747138 [0,2,0,0,0,0|1,0,0]=3 18856 B12R1.100 OCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000211926 [0,2,0,0,0,0|1,0,0]=3 18857 B12R1.100 OCCSc1cc(cc(c1)Cl)F 62a_100000211926_100013859453 [0,2,0,0,0,0|1,0,0]=3 18858 B12R1.100 OCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000211926 [0,2,0,0,0,0|1,0,0]=3 18859 B12R1.100 OCCSc1cc(cc(c1)Cl)O 62a_100000211926_100010068924 [0,2,0,0,0,0|1,0,0]=3 18860 B12R1.100 OCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000211926 [0,2,0,0,0,0|1,0,0]=3 18861 B12R1.100 OCCSc1cc(cc(c1)F)F 62a_100000211926_100000233788 [0,2,0,0,0,0|1,0,0]=3 18862 B12R1.100 OCCSc1cc(cc(c1)F)F 62a_100000233788_100000211926 [0,2,0,0,0,0|1,0,0]=3 18863 B12R1.100 OCCSc1cc(cc(c1)F)O 62a_100000211926_100000688818 [0,2,0,0,0,0|1,0,0]=3 18864 B12R1.100 OCCSc1cc(cc(c1)F)O 62a_100000688818_100000211926 [0,2,0,0,0,0|1,0,0]=3 18865 B12R1.100 OCCSc1cc(cc(c1)O)O 62a_100000211926_100009868816 [0,2,0,0,0,0|1,0,0]=3 18866 B12R1.100 OCCSc1cc(nc(c1)Cl)Cl 62a_100000062418_100000211926 [0,2,0,0,0,0|2,0,0]=4 18867 B12R1.100 OCCSc1cc(nc(c1)Cl)Cl 62a_100000211926_100000062418 [0,2,0,0,0,0|2,0,0]=4 18868 B12R1.100 OCCSc1cc(nc(c1)Cl)F 62a_100000211926_100011069727 [0,2,0,0,0,0|2,0,0]=4 18869 B12R1.100 OCCSc1cc(nc(c1)Cl)F 62a_100011069727_100000211926 [0,2,0,0,0,0|2,0,0]=4 18870 B12R1.100 OCCSc1cc(nc(c1)F)F 62a_100000049587_100000211926 [0,2,0,0,0,0|2,0,0]=4 18871 B12R1.100 OCCSc1cc(nc(c1)F)F 62a_100000211926_100000049587 [0,2,0,0,0,0|2,0,0]=4 18872 B12R1.100 Oc1cc(cc(c1)CNCF)Cl 34a_107254831445_100015361967 [0,2,0,0,0,0|2,0,0]=4 18873 B12R1.100 Oc1cc(cc(c1)CNCF)F 34a_100160469513_100015361967 [0,2,0,0,0,0|2,0,0]=4 18874 B12R1.100 Oc1cc(cc(c1)CNCF)O 34a_100159270720_100015361967 [0,2,0,0,0,0|2,0,0]=4 18875 B12R1.100 Oc1cc(cc(c1)NCCF)Cl 34a_100000123917_100011217306 [0,2,0,0,0,0|2,0,0]=4 18876 B12R1.100 Oc1cc(cc(c1)NCCF)Cl 7a_100000123917_100011217306 [0,2,0,0,0,0|2,0,0]=4 18877 B12R1.100 Oc1cc(cc(c1)NCCF)O 34a_100000043371_100011217306 [0,2,0,0,0,0|2,0,0]=4 18878 B12R1.100 Oc1cc(cc(c1)SCCF)Br 62a_100010068917_100011217306 [0,2,0,0,0,0|2,0,0]=4 18879 B12R1.100 Oc1cc(cc(c1)SCCF)Br 62a_100011217306_100010068917 [0,2,0,0,0,0|2,0,0]=4 18880 B12R1.100 Oc1cc(cc(c1)SCCF)Cl 62a_100010068924_100011217306 [0,2,0,0,0,0|2,0,0]=4 18881 B12R1.100 Oc1cc(cc(c1)SCCF)Cl 62a_100011217306_100010068924 [0,2,0,0,0,0|2,0,0]=4 18882 B12R1.100 Oc1cc(cc(c1)SCCF)F 62a_100000688818_100011217306 [0,2,0,0,0,0|2,0,0]=4 18883 B12R1.100 Oc1cc(cc(c1)SCCF)F 62a_100011217306_100000688818 [0,2,0,0,0,0|2,0,0]=4 18884 B12R1.100 Oc1cc(cc(c1)SCCF)O 62a_100011217306_100009868816 [0,2,0,0,0,0|2,0,0]=4 18885 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200025704644 [0,2,0,0,0,0|2,0,0]=4 18886 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200025704644 [0,2,0,0,0,0|2,0,0]=4 18887 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 2230a_100000748410_200025704644 [0,2,0,0,0,0|2,0,0]=4 18888 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 34a_100000748410_200025704644 [0,2,0,0,0,0|2,0,0]=4 18889 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 34a_100010243668_200025704644 [0,2,0,0,0,0|2,0,0]=4 18890 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 7a_100010243668_200025704644 [0,2,0,0,0,0|2,0,0]=4 18891 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 34a_100012630564_200025704644 [0,2,0,0,0,0|2,0,0]=4 18892 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 7a_100012630564_200025704644 [0,2,0,0,0,0|2,0,0]=4 18893 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200025704644 [0,2,0,0,0,0|2,0,0]=4 18894 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200025704644 [0,2,0,0,0,0|2,0,0]=4 18895 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 34a_100011754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 18896 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 7a_100011754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 18897 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200025704644 [0,2,0,0,0,0|2,0,0]=4 18898 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_200025704644_100000691793 [0,2,0,0,0,0|2,0,0]=4 18899 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_100011754442_200025704644 [0,2,0,0,0,0|2,0,0]=4 18900 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_200025704644_100011754442 [0,2,0,0,0,0|2,0,0]=4 18901 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,2,0,0,0,0|0,0,2]=4 18902 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,2,0,0,0,0|0,0,2]=4 18903 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,2,0,0,0,0|0,0,2]=4 18904 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,2,0,0,0,0|0,0,2]=4 18905 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,2,0,0,0,0|0,0,2]=4 18906 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,2,0,0,0,0|0,0,2]=4 18907 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,2,0,0,0,0|0,0,2]=4 18908 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,2,0,0,0,0|0,0,2]=4 18909 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,2,0,0,0,0|0,0,2]=4 18910 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,2,0,0,0,0|0,0,2]=4 18911 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,2,0,0,0,0|0,0,2]=4 18912 B12R1.226 CC(C)CNc1cccc(c1)Br 34a_100000210019_100000210624 [0,2,0,0,0,0|2,0,0]=4 18913 B12R1.226 CC(C)CNc1cccc(c1)Cl 34a_100000185859_100000210624 [0,2,0,0,0,0|2,0,0]=4 18914 B12R1.226 CC(C)CNc1cccc(c1)F 34a_100000210047_100000210624 [0,2,0,0,0,0|2,0,0]=4 18915 B12R1.226 CC(C)CNc1cccc(c1)I 34a_100000211102_100000210624 [0,2,0,0,0,0|2,0,0]=4 18916 B12R1.226 CC(C)CNc1cccc(c1)O 34a_100000210217_100000210624 [0,2,0,0,0,0|2,0,0]=4 18917 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,2,0,0,0,0|2,0,0]=4 18918 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,2,0,0,0,0|2,0,0]=4 18919 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,2,0,0,0,0|2,0,0]=4 18920 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,2,0,0,0,0|2,0,0]=4 18921 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,2,0,0,0,0|2,0,0]=4 18922 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,2,0,0,0,0|2,0,0]=4 18923 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,2,0,0,0,0|2,0,0]=4 18924 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,2,0,0,0,0|2,0,0]=4 18925 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,2,0,0,0,0|2,0,0]=4 18926 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,2,0,0,0,0|2,0,0]=4 18927 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000210624_100000691529 [0,2,0,0,0,0|2,0,0]=4 18928 B12R1.226 CC(C)CSc1cccc(c1)Br 62a_100000691529_100000210760 [0,2,0,0,0,0|2,0,0]=4 18929 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000210624_100000699651 [0,2,0,0,0,0|2,0,0]=4 18930 B12R1.226 CC(C)CSc1cccc(c1)Cl 62a_100000699651_100000210760 [0,2,0,0,0,0|2,0,0]=4 18931 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000210624_100000685547 [0,2,0,0,0,0|2,0,0]=4 18932 B12R1.226 CC(C)CSc1cccc(c1)F 62a_100000685547_100000210760 [0,2,0,0,0,0|2,0,0]=4 18933 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210019_100000210760 [0,2,0,0,0,0|2,0,0]=4 18934 B12R1.226 CC(C)CSc1cccc(c1)N 62a_100000210624_100000210019 [0,2,0,0,0,0|2,0,0]=4 18935 B12R1.226 CC(C)CSc1cccc(c1)O 62a_100000210624_100000211634 [0,2,0,0,0,0|2,0,0]=4 18936 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_100000210624_114929384022 [0,2,0,0,0,0|2,0,0]=4 18937 B12R1.226 CC(C)CSc1cccc(c1)[S] 62a_114929384022_100000210760 [0,2,0,0,0,0|2,0,0]=4 18938 B12R1.226 CC(C)NCc1cccc(c1)Br 207a_100138425928_100000210085 [0,2,0,0,0,0|2,0,0]=4 18939 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100000174977_100000210206 [0,2,0,0,0,0|2,0,0]=4 18940 B12R1.226 CC(C)NCc1cccc(c1)Br 2230a_100138425928_100000698116 [0,2,0,0,0,0|2,0,0]=4 18941 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100000174977_100000210206 [0,2,0,0,0,0|2,0,0]=4 18942 B12R1.226 CC(C)NCc1cccc(c1)Br 34a_100138425928_100000698116 [0,2,0,0,0,0|2,0,0]=4 18943 B12R1.226 CC(C)NCc1cccc(c1)Cl 207a_100138425928_100000210801 [0,2,0,0,0,0|2,0,0]=4 18944 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000210206 [0,2,0,0,0,0|2,0,0]=4 18945 B12R1.226 CC(C)NCc1cccc(c1)Cl 2230a_100138425928_100000181238 [0,2,0,0,0,0|2,0,0]=4 18946 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100000174878_100000210206 [0,2,0,0,0,0|2,0,0]=4 18947 B12R1.226 CC(C)NCc1cccc(c1)Cl 34a_100138425928_100000187163 [0,2,0,0,0,0|2,0,0]=4 18948 B12R1.226 CC(C)NCc1cccc(c1)F 207a_100138425928_100000210812 [0,2,0,0,0,0|2,0,0]=4 18949 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100000174948_100000210206 [0,2,0,0,0,0|2,0,0]=4 18950 B12R1.226 CC(C)NCc1cccc(c1)F 2230a_100138425928_100000230114 [0,2,0,0,0,0|2,0,0]=4 18951 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100000174948_100000210206 [0,2,0,0,0,0|2,0,0]=4 18952 B12R1.226 CC(C)NCc1cccc(c1)F 34a_100138425928_100000187166 [0,2,0,0,0,0|2,0,0]=4 18953 B12R1.226 CC(C)NCc1cccc(c1)I 207a_100138425928_100000014684 [0,2,0,0,0,0|2,0,0]=4 18954 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100000106179_100000210206 [0,2,0,0,0,0|2,0,0]=4 18955 B12R1.226 CC(C)NCc1cccc(c1)I 2230a_100138425928_100011218688 [0,2,0,0,0,0|2,0,0]=4 18956 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100000106179_100000210206 [0,2,0,0,0,0|2,0,0]=4 18957 B12R1.226 CC(C)NCc1cccc(c1)I 34a_100138425928_100011218688 [0,2,0,0,0,0|2,0,0]=4 18958 B12R1.226 CC(C)NCc1cccc(c1)O 207a_100138425928_100000188321 [0,2,0,0,0,0|2,0,0]=4 18959 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100000743036_100000210206 [0,2,0,0,0,0|2,0,0]=4 18960 B12R1.226 CC(C)NCc1cccc(c1)O 2230a_100138425928_100011660834 [0,2,0,0,0,0|2,0,0]=4 18961 B12R1.226 CC(C)NCc1cccc(c1)O 271570a_203496583355_100000195767 [0,2,0,0,0,0|2,0,0]=4 18962 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100000743036_100000210206 [0,2,0,0,0,0|2,0,0]=4 18963 B12R1.226 CC(C)NCc1cccc(c1)O 34a_100138425928_100011660834 [0,2,0,0,0,0|2,0,0]=4 18964 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000212225_100000698116 [0,2,0,0,0,0|2,0,0]=4 18965 B12R1.226 CC(C)OCc1cccc(c1)Br 34a_100000687537_100000210206 [0,2,0,0,0,0|2,0,0]=4 18966 B12R1.226 CC(C)OCc1cccc(c1)Br 7a_100000687537_100000210206 [0,2,0,0,0,0|2,0,0]=4 18967 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000212225_100000187163 [0,2,0,0,0,0|2,0,0]=4 18968 B12R1.226 CC(C)OCc1cccc(c1)Cl 34a_100000241301_100000210206 [0,2,0,0,0,0|2,0,0]=4 18969 B12R1.226 CC(C)OCc1cccc(c1)Cl 7a_100000241301_100000210206 [0,2,0,0,0,0|2,0,0]=4 18970 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000210976_100000210206 [0,2,0,0,0,0|2,0,0]=4 18971 B12R1.226 CC(C)OCc1cccc(c1)F 34a_100000212225_100000187166 [0,2,0,0,0,0|2,0,0]=4 18972 B12R1.226 CC(C)OCc1cccc(c1)F 7a_100000210976_100000210206 [0,2,0,0,0,0|2,0,0]=4 18973 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100000212225_100011218688 [0,2,0,0,0,0|2,0,0]=4 18974 B12R1.226 CC(C)OCc1cccc(c1)I 34a_100011215336_100000210206 [0,2,0,0,0,0|2,0,0]=4 18975 B12R1.226 CC(C)OCc1cccc(c1)I 7a_100011215336_100000210206 [0,2,0,0,0,0|2,0,0]=4 18976 B12R1.226 CC(C)OCc1cccc(c1)N 34a_100000211919_100000210206 [0,2,0,0,0,0|2,0,0]=4 18977 B12R1.226 CC(C)OCc1cccc(c1)O 34a_100000212225_100011660834 [0,2,0,0,0,0|2,0,0]=4 18978 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000210206_100000211773 [0,2,0,0,0,0|2,0,0]=4 18979 B12R1.226 CC(C)SCc1cccc(c1)Br 62a_100000211773_100000210206 [0,2,0,0,0,0|2,0,0]=4 18980 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000187163_100000210206 [0,2,0,0,0,0|2,0,0]=4 18981 B12R1.226 CC(C)SCc1cccc(c1)Cl 62a_100000210206_100000187163 [0,2,0,0,0,0|2,0,0]=4 18982 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000210206_100000230114 [0,2,0,0,0,0|2,0,0]=4 18983 B12R1.226 CC(C)SCc1cccc(c1)F 62a_100000230114_100000210206 [0,2,0,0,0,0|2,0,0]=4 18984 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100000210206_100011218688 [0,2,0,0,0,0|2,0,0]=4 18985 B12R1.226 CC(C)SCc1cccc(c1)I 62a_100011218688_100000210206 [0,2,0,0,0,0|2,0,0]=4 18986 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100000210206_100011660834 [0,2,0,0,0,0|2,0,0]=4 18987 B12R1.226 CC(C)SCc1cccc(c1)O 62a_100011660834_100000210206 [0,2,0,0,0,0|2,0,0]=4 18988 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [0,2,0,0,0,0|0,0,2]=4 18989 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [0,2,0,0,0,0|0,0,2]=4 18990 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [0,2,0,0,0,0|0,0,2]=4 18991 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,2,0,0,0,0|0,0,2]=4 18992 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,2,0,0,0,0|0,0,2]=4 18993 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [0,2,0,0,0,0|0,0,2]=4 18994 B12R1.226 CC(O)CNc1cc(ccn1)F 27a_100000210904_100000764206 [0,2,0,0,0,0|2,0,0]=4 18995 B12R1.226 CC(O)CNc1cc[nH]c(=O)c1 27a_100000210904_100000061649 [0,2,0,0,0,0|2,0,0]=4 18996 B12R1.226 CC(O)CNc1cccc(c1)Br 34a_100000210019_100011218427 [0,2,0,0,0,0|1,0,0]=3 18997 B12R1.226 CC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218427 [0,2,0,0,0,0|1,0,0]=3 18998 B12R1.226 CC(O)CNc1cccc(c1)F 34a_100000210047_100011218427 [0,2,0,0,0,0|1,0,0]=3 18999 B12R1.226 CC(O)CNc1cccc(c1)I 34a_100000211102_100011218427 [0,2,0,0,0,0|1,0,0]=3 19000 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [0,2,0,0,0,0|1,0,0]=3 19001 B12R1.226 CC(O)CNc1cccc(n1)F 27a_100000210904_100009815982 [0,2,0,0,0,0|2,0,0]=4 19002 B12R1.226 CC(O)CNc1ccnc(c1)F 27a_100000210904_100009816116 [0,2,0,0,0,0|2,0,0]=4 19003 B12R1.226 CC(O)COc1cc[nH]c(=O)c1 34a_100000032262_100011218427 [0,2,0,0,0,0|2,0,0]=4 19004 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100011218427 [0,2,0,0,0,0|2,0,0]=4 19005 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100011218427 [0,2,0,0,0,0|2,0,0]=4 19006 B12R1.226 CC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218427 [0,2,0,0,0,0|2,0,0]=4 19007 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,2,0,0,0,0|1,0,0]=3 19008 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,2,0,0,0,0|1,0,0]=3 19009 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,2,0,0,0,0|1,0,0]=3 19010 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,2,0,0,0,0|1,0,0]=3 19011 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,2,0,0,0,0|1,0,0]=3 19012 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,2,0,0,0,0|1,0,0]=3 19013 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,2,0,0,0,0|1,0,0]=3 19014 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,2,0,0,0,0|1,0,0]=3 19015 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,2,0,0,0,0|1,0,0]=3 19016 B12R1.226 CC(O)COc1cccc(n1)F 34a_100011432558_100011218427 [0,2,0,0,0,0|2,0,0]=4 19017 B12R1.226 CC(O)COc1ccnc(c1)Cl 34a_100000762945_100011218427 [0,2,0,0,0,0|2,0,0]=4 19018 B12R1.226 CC(O)COc1ccnc(c1)F 34a_100000732698_100011218427 [0,2,0,0,0,0|2,0,0]=4 19019 B12R1.226 CC(O)COc1ccnc(c1)N 34a_100011834064_100011218427 [0,2,0,0,0,0|2,0,0]=4 19020 B12R1.226 CC(O)COc1cncc(c1)Br 34a_100000754920_100011218427 [0,2,0,0,0,0|2,0,0]=4 19021 B12R1.226 CC(O)COc1cncc(c1)Br 7a_100000754920_100011218427 [0,2,0,0,0,0|2,0,0]=4 19022 B12R1.226 CC(O)COc1cncc(c1)Cl 7a_100000032511_100011218427 [0,2,0,0,0,0|2,0,0]=4 19023 B12R1.226 CC(O)COc1cncc(c1)F 34a_100011830296_100011218427 [0,2,0,0,0,0|2,0,0]=4 19024 B12R1.226 CC(O)COc1cncc(c1)F 7a_100011830296_100011218427 [0,2,0,0,0,0|2,0,0]=4 19025 B12R1.226 CC(O)COc1cncc(c1)N 34a_100011997051_100011218427 [0,2,0,0,0,0|2,0,0]=4 19026 B12R1.226 CC(O)CSc1cc(=O)cc[nH]1 62a_100009817434_100011218427 [0,2,0,0,0,0|2,0,0]=4 19027 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011218427 [0,2,0,0,0,0|2,0,0]=4 19028 B12R1.226 CC(O)CSc1cc(ccn1)Cl 62a_100011218427_100010167805 [0,2,0,0,0,0|2,0,0]=4 19029 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100000764206_100011218427 [0,2,0,0,0,0|2,0,0]=4 19030 B12R1.226 CC(O)CSc1cc(ccn1)F 62a_100011218427_100000764206 [0,2,0,0,0,0|2,0,0]=4 19031 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100009814236_100011218427 [0,2,0,0,0,0|2,0,0]=4 19032 B12R1.226 CC(O)CSc1cc(ccn1)N 62a_100011218427_100009814236 [0,2,0,0,0,0|2,0,0]=4 19033 B12R1.226 CC(O)CSc1cc(ccn1)O 62a_100011218427_100000762945 [0,2,0,0,0,0|2,0,0]=4 19034 B12R1.226 CC(O)CSc1cc[nH]c(=O)c1 62a_100009816521_100011218427 [0,2,0,0,0,0|2,0,0]=4 19035 B12R1.226 CC(O)CSc1cc[nH]c(=O)c1 62a_100011218427_100009816521 [0,2,0,0,0,0|2,0,0]=4 19036 B12R1.226 CC(O)CSc1ccc[n+](c1)C 62a_100009996589_100011218427 [0,2,0,0,0,0|2,0,0]=4 19037 B12R1.226 CC(O)CSc1ccc[n+](c1)C 62a_100011218427_100009996589 [0,2,0,0,0,0|2,0,0]=4 19038 B12R1.226 CC(O)CSc1ccc[n+](c1)[O-] 62a_100011218427_100009815978 [0,2,0,0,0,0|2,0,0]=4 19039 B12R1.226 CC(O)CSc1cccc(=O)[nH]1 62a_100011218427_100000752884 [0,2,0,0,0,0|2,0,0]=4 19040 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100000691529_100011218427 [0,2,0,0,0,0|1,0,0]=3 19041 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100011218427_100000691529 [0,2,0,0,0,0|1,0,0]=3 19042 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218427 [0,2,0,0,0,0|1,0,0]=3 19043 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100011218427_100000699651 [0,2,0,0,0,0|1,0,0]=3 19044 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100000685547_100011218427 [0,2,0,0,0,0|1,0,0]=3 19045 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100011218427_100000685547 [0,2,0,0,0,0|1,0,0]=3 19046 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [0,2,0,0,0,0|1,0,0]=3 19047 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [0,2,0,0,0,0|1,0,0]=3 19048 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [0,2,0,0,0,0|1,0,0]=3 19049 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_100011218427_114929384022 [0,2,0,0,0,0|1,0,0]=3 19050 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218427 [0,2,0,0,0,0|1,0,0]=3 19051 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100000684672_100011218427 [0,2,0,0,0,0|2,0,0]=4 19052 B12R1.226 CC(O)CSc1cccc(n1)Br 62a_100011218427_100000684672 [0,2,0,0,0,0|2,0,0]=4 19053 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100000051397_100011218427 [0,2,0,0,0,0|2,0,0]=4 19054 B12R1.226 CC(O)CSc1cccc(n1)Cl 62a_100011218427_100000051397 [0,2,0,0,0,0|2,0,0]=4 19055 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100009815982_100011218427 [0,2,0,0,0,0|2,0,0]=4 19056 B12R1.226 CC(O)CSc1cccc(n1)F 62a_100011218427_100009815982 [0,2,0,0,0,0|2,0,0]=4 19057 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100000740741_100011218427 [0,2,0,0,0,0|2,0,0]=4 19058 B12R1.226 CC(O)CSc1cccc(n1)N 62a_100011218427_100000740741 [0,2,0,0,0,0|2,0,0]=4 19059 B12R1.226 CC(O)CSc1ccnc(c1)Br 62a_100009814637_100011218427 [0,2,0,0,0,0|2,0,0]=4 19060 B12R1.226 CC(O)CSc1ccnc(c1)Br 62a_100011218427_100009814637 [0,2,0,0,0,0|2,0,0]=4 19061 B12R1.226 CC(O)CSc1ccnc(c1)Cl 62a_100000035001_100011218427 [0,2,0,0,0,0|2,0,0]=4 19062 B12R1.226 CC(O)CSc1ccnc(c1)Cl 62a_100011218427_100000035001 [0,2,0,0,0,0|2,0,0]=4 19063 B12R1.226 CC(O)CSc1ccnc(c1)F 62a_100009816116_100011218427 [0,2,0,0,0,0|2,0,0]=4 19064 B12R1.226 CC(O)CSc1ccnc(c1)F 62a_100011218427_100009816116 [0,2,0,0,0,0|2,0,0]=4 19065 B12R1.226 CC(O)CSc1ccnc(c1)N 62a_100000049665_100011218427 [0,2,0,0,0,0|2,0,0]=4 19066 B12R1.226 CC(O)CSc1ccnc(c1)N 62a_100011218427_100000049665 [0,2,0,0,0,0|2,0,0]=4 19067 B12R1.226 CC(O)CSc1cncc(c1)Br 62a_100000728054_100011218427 [0,2,0,0,0,0|2,0,0]=4 19068 B12R1.226 CC(O)CSc1cncc(c1)Br 62a_100011218427_100000728054 [0,2,0,0,0,0|2,0,0]=4 19069 B12R1.226 CC(O)CSc1cncc(c1)Cl 62a_100000049639_100011218427 [0,2,0,0,0,0|2,0,0]=4 19070 B12R1.226 CC(O)CSc1cncc(c1)Cl 62a_100011218427_100000049639 [0,2,0,0,0,0|2,0,0]=4 19071 B12R1.226 CC(O)CSc1cncc(c1)F 62a_100000744099_100011218427 [0,2,0,0,0,0|2,0,0]=4 19072 B12R1.226 CC(O)CSc1cncc(c1)F 62a_100011218427_100000744099 [0,2,0,0,0,0|2,0,0]=4 19073 B12R1.226 CC(O)CSc1cncc(c1)N 62a_100000687067_100011218427 [0,2,0,0,0,0|2,0,0]=4 19074 B12R1.226 CC(O)CSc1cncc(c1)N 62a_100011218427_100000687067 [0,2,0,0,0,0|2,0,0]=4 19075 B12R1.226 CC(O)CSc1cncc(c1)O 62a_100000754920_100011218427 [0,2,0,0,0,0|2,0,0]=4 19076 B12R1.226 CC(O)CSc1cncc(c1)O 62a_100011218427_100000754920 [0,2,0,0,0,0|2,0,0]=4 19077 B12R1.226 CN(C)CCc1cccc(c1)Br 2230a_100102631434_100011740638 [0,2,0,0,0,0|2,0,0]=4 19078 B12R1.226 CN(C)CCc1cccc(c1)Br 269982a_100102631434_100011740638 [0,2,0,0,0,0|2,0,0]=4 19079 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_100102631434_100011713710 [0,2,0,0,0,0|2,0,0]=4 19080 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_106726388433_200000210301 [0,2,0,0,0,0|2,0,0]=4 19081 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_100102631434_100011713710 [0,2,0,0,0,0|2,0,0]=4 19082 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_106726388433_200000210301 [0,2,0,0,0,0|2,0,0]=4 19083 B12R1.226 CN(C)CCc1cccc(c1)Cl 34a_106726388433_200000210301 [0,2,0,0,0,0|2,0,0]=4 19084 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_100102631434_100011217235 [0,2,0,0,0,0|2,0,0]=4 19085 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_106726388868_200000210301 [0,2,0,0,0,0|2,0,0]=4 19086 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_100102631434_100011217235 [0,2,0,0,0,0|2,0,0]=4 19087 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_106726388868_200000210301 [0,2,0,0,0,0|2,0,0]=4 19088 B12R1.226 CN(C)CCc1cccc(c1)F 34a_106726388868_200000210301 [0,2,0,0,0,0|2,0,0]=4 19089 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 2230a_106726388433_200025704644 [0,2,0,0,0,0|2,0,0]=4 19090 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 269982a_106726388433_200025704644 [0,2,0,0,0,0|2,0,0]=4 19091 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 34a_106726388433_200025704644 [0,2,0,0,0,0|2,0,0]=4 19092 B12R1.226 CN([13CH3])CCc1cccc(c1)F 2230a_106726388868_200025704644 [0,2,0,0,0,0|2,0,0]=4 19093 B12R1.226 CN([13CH3])CCc1cccc(c1)F 269982a_106726388868_200025704644 [0,2,0,0,0,0|2,0,0]=4 19094 B12R1.226 CN([13CH3])CCc1cccc(c1)F 34a_106726388868_200025704644 [0,2,0,0,0,0|2,0,0]=4 19095 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 34a_100000210019_100009817552 [0,2,0,0,0,0|1,0,0]=3 19096 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009817552 [0,2,0,0,0,0|1,0,0]=3 19097 B12R1.226 C[C@@H](O)CNc1cccc(c1)F 34a_100000210047_100009817552 [0,2,0,0,0,0|1,0,0]=3 19098 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 34a_100000211102_100009817552 [0,2,0,0,0,0|1,0,0]=3 19099 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [0,2,0,0,0,0|1,0,0]=3 19100 B12R1.226 C[C@@H](O)COc1cc[nH]c(=O)c1 34a_100000032262_100009817552 [0,2,0,0,0,0|2,0,0]=4 19101 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 34a_100000039713_100009817552 [0,2,0,0,0,0|2,0,0]=4 19102 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 7a_100000039713_100009817552 [0,2,0,0,0,0|2,0,0]=4 19103 B12R1.226 C[C@@H](O)COc1cccc(=O)[nH]1 34a_100000033347_100009817552 [0,2,0,0,0,0|2,0,0]=4 19104 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,2,0,0,0,0|1,0,0]=3 19105 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,2,0,0,0,0|1,0,0]=3 19106 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,2,0,0,0,0|1,0,0]=3 19107 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,2,0,0,0,0|1,0,0]=3 19108 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,2,0,0,0,0|1,0,0]=3 19109 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,2,0,0,0,0|1,0,0]=3 19110 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,2,0,0,0,0|1,0,0]=3 19111 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,2,0,0,0,0|1,0,0]=3 19112 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,2,0,0,0,0|1,0,0]=3 19113 B12R1.226 C[C@@H](O)COc1cccc(n1)F 34a_100011432558_100009817552 [0,2,0,0,0,0|2,0,0]=4 19114 B12R1.226 C[C@@H](O)COc1ccnc(c1)Cl 34a_100000762945_100009817552 [0,2,0,0,0,0|2,0,0]=4 19115 B12R1.226 C[C@@H](O)COc1ccnc(c1)F 34a_100000732698_100009817552 [0,2,0,0,0,0|2,0,0]=4 19116 B12R1.226 C[C@@H](O)COc1ccnc(c1)N 34a_100011834064_100009817552 [0,2,0,0,0,0|2,0,0]=4 19117 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 34a_100000754920_100009817552 [0,2,0,0,0,0|2,0,0]=4 19118 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 7a_100000754920_100009817552 [0,2,0,0,0,0|2,0,0]=4 19119 B12R1.226 C[C@@H](O)COc1cncc(c1)Cl 7a_100000032511_100009817552 [0,2,0,0,0,0|2,0,0]=4 19120 B12R1.226 C[C@@H](O)COc1cncc(c1)F 34a_100011830296_100009817552 [0,2,0,0,0,0|2,0,0]=4 19121 B12R1.226 C[C@@H](O)COc1cncc(c1)F 7a_100011830296_100009817552 [0,2,0,0,0,0|2,0,0]=4 19122 B12R1.226 C[C@@H](O)COc1cncc(c1)N 34a_100011997051_100009817552 [0,2,0,0,0,0|2,0,0]=4 19123 B12R1.226 C[C@@H](O)CSc1cc(=O)cc[nH]1 62a_100009817434_100009817552 [0,2,0,0,0,0|2,0,0]=4 19124 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100009817552_100010167805 [0,2,0,0,0,0|2,0,0]=4 19125 B12R1.226 C[C@@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009817552 [0,2,0,0,0,0|2,0,0]=4 19126 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100000764206_100009817552 [0,2,0,0,0,0|2,0,0]=4 19127 B12R1.226 C[C@@H](O)CSc1cc(ccn1)F 62a_100009817552_100000764206 [0,2,0,0,0,0|2,0,0]=4 19128 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009814236_100009817552 [0,2,0,0,0,0|2,0,0]=4 19129 B12R1.226 C[C@@H](O)CSc1cc(ccn1)N 62a_100009817552_100009814236 [0,2,0,0,0,0|2,0,0]=4 19130 B12R1.226 C[C@@H](O)CSc1cc(ccn1)O 62a_100009817552_100000762945 [0,2,0,0,0,0|2,0,0]=4 19131 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)c1 62a_100009816521_100009817552 [0,2,0,0,0,0|2,0,0]=4 19132 B12R1.226 C[C@@H](O)CSc1cc[nH]c(=O)c1 62a_100009817552_100009816521 [0,2,0,0,0,0|2,0,0]=4 19133 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)C 62a_100009817552_100009996589 [0,2,0,0,0,0|2,0,0]=4 19134 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)C 62a_100009996589_100009817552 [0,2,0,0,0,0|2,0,0]=4 19135 B12R1.226 C[C@@H](O)CSc1ccc[n+](c1)[O-] 62a_100009817552_100009815978 [0,2,0,0,0,0|2,0,0]=4 19136 B12R1.226 C[C@@H](O)CSc1cccc(=O)[nH]1 62a_100009817552_100000752884 [0,2,0,0,0,0|2,0,0]=4 19137 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100000691529_100009817552 [0,2,0,0,0,0|1,0,0]=3 19138 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100009817552_100000691529 [0,2,0,0,0,0|1,0,0]=3 19139 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009817552 [0,2,0,0,0,0|1,0,0]=3 19140 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100009817552_100000699651 [0,2,0,0,0,0|1,0,0]=3 19141 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100000685547_100009817552 [0,2,0,0,0,0|1,0,0]=3 19142 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100009817552_100000685547 [0,2,0,0,0,0|1,0,0]=3 19143 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [0,2,0,0,0,0|1,0,0]=3 19144 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [0,2,0,0,0,0|1,0,0]=3 19145 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [0,2,0,0,0,0|1,0,0]=3 19146 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_100009817552_114929384022 [0,2,0,0,0,0|1,0,0]=3 19147 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009817552 [0,2,0,0,0,0|1,0,0]=3 19148 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100000684672_100009817552 [0,2,0,0,0,0|2,0,0]=4 19149 B12R1.226 C[C@@H](O)CSc1cccc(n1)Br 62a_100009817552_100000684672 [0,2,0,0,0,0|2,0,0]=4 19150 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009817552 [0,2,0,0,0,0|2,0,0]=4 19151 B12R1.226 C[C@@H](O)CSc1cccc(n1)Cl 62a_100009817552_100000051397 [0,2,0,0,0,0|2,0,0]=4 19152 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009815982_100009817552 [0,2,0,0,0,0|2,0,0]=4 19153 B12R1.226 C[C@@H](O)CSc1cccc(n1)F 62a_100009817552_100009815982 [0,2,0,0,0,0|2,0,0]=4 19154 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100000740741_100009817552 [0,2,0,0,0,0|2,0,0]=4 19155 B12R1.226 C[C@@H](O)CSc1cccc(n1)N 62a_100009817552_100000740741 [0,2,0,0,0,0|2,0,0]=4 19156 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Br 62a_100009814637_100009817552 [0,2,0,0,0,0|2,0,0]=4 19157 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Br 62a_100009817552_100009814637 [0,2,0,0,0,0|2,0,0]=4 19158 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Cl 62a_100000035001_100009817552 [0,2,0,0,0,0|2,0,0]=4 19159 B12R1.226 C[C@@H](O)CSc1ccnc(c1)Cl 62a_100009817552_100000035001 [0,2,0,0,0,0|2,0,0]=4 19160 B12R1.226 C[C@@H](O)CSc1ccnc(c1)F 62a_100009816116_100009817552 [0,2,0,0,0,0|2,0,0]=4 19161 B12R1.226 C[C@@H](O)CSc1ccnc(c1)F 62a_100009817552_100009816116 [0,2,0,0,0,0|2,0,0]=4 19162 B12R1.226 C[C@@H](O)CSc1ccnc(c1)N 62a_100000049665_100009817552 [0,2,0,0,0,0|2,0,0]=4 19163 B12R1.226 C[C@@H](O)CSc1ccnc(c1)N 62a_100009817552_100000049665 [0,2,0,0,0,0|2,0,0]=4 19164 B12R1.226 C[C@@H](O)CSc1cncc(c1)Br 62a_100000728054_100009817552 [0,2,0,0,0,0|2,0,0]=4 19165 B12R1.226 C[C@@H](O)CSc1cncc(c1)Br 62a_100009817552_100000728054 [0,2,0,0,0,0|2,0,0]=4 19166 B12R1.226 C[C@@H](O)CSc1cncc(c1)Cl 62a_100000049639_100009817552 [0,2,0,0,0,0|2,0,0]=4 19167 B12R1.226 C[C@@H](O)CSc1cncc(c1)Cl 62a_100009817552_100000049639 [0,2,0,0,0,0|2,0,0]=4 19168 B12R1.226 C[C@@H](O)CSc1cncc(c1)F 62a_100000744099_100009817552 [0,2,0,0,0,0|2,0,0]=4 19169 B12R1.226 C[C@@H](O)CSc1cncc(c1)F 62a_100009817552_100000744099 [0,2,0,0,0,0|2,0,0]=4 19170 B12R1.226 C[C@@H](O)CSc1cncc(c1)N 62a_100000687067_100009817552 [0,2,0,0,0,0|2,0,0]=4 19171 B12R1.226 C[C@@H](O)CSc1cncc(c1)N 62a_100009817552_100000687067 [0,2,0,0,0,0|2,0,0]=4 19172 B12R1.226 C[C@@H](O)CSc1cncc(c1)O 62a_100000754920_100009817552 [0,2,0,0,0,0|2,0,0]=4 19173 B12R1.226 C[C@@H](O)CSc1cncc(c1)O 62a_100009817552_100000754920 [0,2,0,0,0,0|2,0,0]=4 19174 B12R1.226 Cc1cc(ccn1)NCC(C)O 27a_100000210904_100000758586 [0,2,0,0,0,0|2,0,0]=4 19175 B12R1.226 Cc1cc(ccn1)OCC(C)O 34a_100000688365_100011218427 [0,2,0,0,0,0|2,0,0]=4 19176 B12R1.226 Cc1cc(ccn1)OC[C@@H](C)O 34a_100000688365_100009817552 [0,2,0,0,0,0|2,0,0]=4 19177 B12R1.226 Cc1cc(ccn1)SCC(C)O 62a_100000758586_100011218427 [0,2,0,0,0,0|2,0,0]=4 19178 B12R1.226 Cc1cc(ccn1)SCC(C)O 62a_100011218427_100000758586 [0,2,0,0,0,0|2,0,0]=4 19179 B12R1.226 Cc1cc(ccn1)SC[C@@H](C)O 62a_100000758586_100009817552 [0,2,0,0,0,0|2,0,0]=4 19180 B12R1.226 Cc1cc(ccn1)SC[C@@H](C)O 62a_100009817552_100000758586 [0,2,0,0,0,0|2,0,0]=4 19181 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,2,0,0,0,0|0,0,2]=4 19182 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,2,0,0,0,0|0,0,2]=4 19183 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [0,2,0,0,0,0|2,0,0]=4 19184 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [0,2,0,0,0,0|2,0,0]=4 19185 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [0,2,0,0,0,0|2,0,0]=4 19186 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [0,2,0,0,0,0|2,0,0]=4 19187 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [0,2,0,0,0,0|2,0,0]=4 19188 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [0,2,0,0,0,0|2,0,0]=4 19189 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [0,2,0,0,0,0|2,0,0]=4 19190 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [0,2,0,0,0,0|2,0,0]=4 19191 B12R1.226 Cc1cccc(c1)CNC(C)C 207a_100138425928_100000211157 [0,2,0,0,0,0|2,0,0]=4 19192 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100000185548_100000210206 [0,2,0,0,0,0|2,0,0]=4 19193 B12R1.226 Cc1cccc(c1)CNC(C)C 2230a_100138425928_100000211840 [0,2,0,0,0,0|2,0,0]=4 19194 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100000185548_100000210206 [0,2,0,0,0,0|2,0,0]=4 19195 B12R1.226 Cc1cccc(c1)CNC(C)C 34a_100138425928_100000211840 [0,2,0,0,0,0|2,0,0]=4 19196 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100000212225_100000211840 [0,2,0,0,0,0|2,0,0]=4 19197 B12R1.226 Cc1cccc(c1)COC(C)C 34a_100011217746_100000210206 [0,2,0,0,0,0|2,0,0]=4 19198 B12R1.226 Cc1cccc(c1)COC(C)C 7a_100011217746_100000210206 [0,2,0,0,0,0|2,0,0]=4 19199 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000210206_100000211840 [0,2,0,0,0,0|2,0,0]=4 19200 B12R1.226 Cc1cccc(c1)CSC(C)C 62a_100000211840_100000210206 [0,2,0,0,0,0|2,0,0]=4 19201 B12R1.226 Cc1cccc(c1)NCC(C)C 2230a_100000188690_100000210760 [0,2,0,0,0,0|2,0,0]=4 19202 B12R1.226 Cc1cccc(c1)NCC(C)C 34a_100000188690_100000210624 [0,2,0,0,0,0|2,0,0]=4 19203 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [0,2,0,0,0,0|1,0,0]=3 19204 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [0,2,0,0,0,0|1,0,0]=3 19205 B12R1.226 Cc1cccc(c1)NCC(F)F 2230a_100000188690_100011934356 [0,2,0,0,0,0|2,0,0]=4 19206 B12R1.226 Cc1cccc(c1)NCC(F)F 34a_100000188690_100011934356 [0,2,0,0,0,0|2,0,0]=4 19207 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [0,2,0,0,0,0|1,0,0]=3 19208 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [0,2,0,0,0,0|1,0,0]=3 19209 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,2,0,0,0,0|2,0,0]=4 19210 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,2,0,0,0,0|2,0,0]=4 19211 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,2,0,0,0,0|1,0,0]=3 19212 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,2,0,0,0,0|1,0,0]=3 19213 B12R1.226 Cc1cccc(c1)OCC(F)F 34a_100000210337_100011934356 [0,2,0,0,0,0|2,0,0]=4 19214 B12R1.226 Cc1cccc(c1)OCC(F)F 7a_100000210337_100011934356 [0,2,0,0,0,0|2,0,0]=4 19215 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,2,0,0,0,0|1,0,0]=3 19216 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,2,0,0,0,0|1,0,0]=3 19217 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100000210624_100011215228 [0,2,0,0,0,0|2,0,0]=4 19218 B12R1.226 Cc1cccc(c1)SCC(C)C 62a_100011215228_100000210760 [0,2,0,0,0,0|2,0,0]=4 19219 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [0,2,0,0,0,0|1,0,0]=3 19220 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [0,2,0,0,0,0|1,0,0]=3 19221 B12R1.226 Cc1cccc(c1)SCC(F)F 62a_100011215228_100011934356 [0,2,0,0,0,0|2,0,0]=4 19222 B12R1.226 Cc1cccc(c1)SCC(F)F 62a_100011934356_100011215228 [0,2,0,0,0,0|2,0,0]=4 19223 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [0,2,0,0,0,0|1,0,0]=3 19224 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [0,2,0,0,0,0|1,0,0]=3 19225 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100000742759_100011218427 [0,2,0,0,0,0|2,0,0]=4 19226 B12R1.226 Cc1cccc(n1)SCC(C)O 62a_100011218427_100000742759 [0,2,0,0,0,0|2,0,0]=4 19227 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100000742759_100009817552 [0,2,0,0,0,0|2,0,0]=4 19228 B12R1.226 Cc1cccc(n1)SC[C@@H](C)O 62a_100009817552_100000742759 [0,2,0,0,0,0|2,0,0]=4 19229 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100000750283_100011218427 [0,2,0,0,0,0|2,0,0]=4 19230 B12R1.226 Cc1ccnc(c1)SCC(C)O 62a_100011218427_100000750283 [0,2,0,0,0,0|2,0,0]=4 19231 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100000750283_100009817552 [0,2,0,0,0,0|2,0,0]=4 19232 B12R1.226 Cc1ccnc(c1)SC[C@@H](C)O 62a_100009817552_100000750283 [0,2,0,0,0,0|2,0,0]=4 19233 B12R1.226 Cc1cncc(c1)OCC(C)O 34a_100011830280_100011218427 [0,2,0,0,0,0|2,0,0]=4 19234 B12R1.226 Cc1cncc(c1)OCC(C)O 7a_100011830280_100011218427 [0,2,0,0,0,0|2,0,0]=4 19235 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 34a_100011830280_100009817552 [0,2,0,0,0,0|2,0,0]=4 19236 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 7a_100011830280_100009817552 [0,2,0,0,0,0|2,0,0]=4 19237 B12R1.226 Cc1cncc(c1)SCC(C)O 62a_100000760492_100011218427 [0,2,0,0,0,0|2,0,0]=4 19238 B12R1.226 Cc1cncc(c1)SCC(C)O 62a_100011218427_100000760492 [0,2,0,0,0,0|2,0,0]=4 19239 B12R1.226 Cc1cncc(c1)SC[C@@H](C)O 62a_100000760492_100009817552 [0,2,0,0,0,0|2,0,0]=4 19240 B12R1.226 Cc1cncc(c1)SC[C@@H](C)O 62a_100009817552_100000760492 [0,2,0,0,0,0|2,0,0]=4 19241 B12R1.226 FC(F)CNc1cccc(c1)Br 34a_100000210019_100011934356 [0,2,0,0,0,0|2,0,0]=4 19242 B12R1.226 FC(F)CNc1cccc(c1)Cl 34a_100000185859_100011934356 [0,2,0,0,0,0|2,0,0]=4 19243 B12R1.226 FC(F)CNc1cccc(c1)I 34a_100000211102_100011934356 [0,2,0,0,0,0|2,0,0]=4 19244 B12R1.226 FC(F)COc1cccc(c1)Br 34a_100000210342_100011934356 [0,2,0,0,0,0|2,0,0]=4 19245 B12R1.226 FC(F)COc1cccc(c1)Br 7a_100000210342_100011934356 [0,2,0,0,0,0|2,0,0]=4 19246 B12R1.226 FC(F)COc1cccc(c1)Cl 34a_100000210295_100011934356 [0,2,0,0,0,0|2,0,0]=4 19247 B12R1.226 FC(F)COc1cccc(c1)Cl 7a_100000210295_100011934356 [0,2,0,0,0,0|2,0,0]=4 19248 B12R1.226 FC(F)COc1cccc(c1)I 34a_100000211634_100011934356 [0,2,0,0,0,0|2,0,0]=4 19249 B12R1.226 FC(F)COc1cccc(c1)I 7a_100000211634_100011934356 [0,2,0,0,0,0|2,0,0]=4 19250 B12R1.226 FC(F)CSc1cccc(c1)Br 62a_100000691529_100011934356 [0,2,0,0,0,0|2,0,0]=4 19251 B12R1.226 FC(F)CSc1cccc(c1)Br 62a_100011934356_100000691529 [0,2,0,0,0,0|2,0,0]=4 19252 B12R1.226 FC(F)CSc1cccc(c1)Cl 62a_100000699651_100011934356 [0,2,0,0,0,0|2,0,0]=4 19253 B12R1.226 FC(F)CSc1cccc(c1)Cl 62a_100011934356_100000699651 [0,2,0,0,0,0|2,0,0]=4 19254 B12R1.226 FC(F)CSc1cccc(c1)[S] 62a_100011934356_114929384022 [0,2,0,0,0,0|2,0,0]=4 19255 B12R1.226 FC(F)CSc1cccc(c1)[S] 62a_114929384022_100011934356 [0,2,0,0,0,0|2,0,0]=4 19256 B12R1.226 Fc1cccc(c1)NCC(F)F 34a_100000210047_100011934356 [0,2,0,0,0,0|2,0,0]=4 19257 B12R1.226 Fc1cccc(c1)OCC(F)F 34a_100000210426_100011934356 [0,2,0,0,0,0|2,0,0]=4 19258 B12R1.226 Fc1cccc(c1)OCC(F)F 7a_100000210426_100011934356 [0,2,0,0,0,0|2,0,0]=4 19259 B12R1.226 Fc1cccc(c1)SCC(F)F 62a_100000685547_100011934356 [0,2,0,0,0,0|2,0,0]=4 19260 B12R1.226 Fc1cccc(c1)SCC(F)F 62a_100011934356_100000685547 [0,2,0,0,0,0|2,0,0]=4 19261 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,2,0,0,0,0|0,0,2]=4 19262 B12R1.226 Nc1cccc(c1)OCC(F)F 34a_100000210217_100011934356 [0,2,0,0,0,0|2,0,0]=4 19263 B12R1.226 Nc1cccc(c1)SCC(F)F 62a_100000210019_100011934356 [0,2,0,0,0,0|2,0,0]=4 19264 B12R1.226 Nc1cccc(c1)SCC(F)F 62a_100011934356_100000210019 [0,2,0,0,0,0|2,0,0]=4 19265 B12R1.226 Oc1cccc(c1)NCC(F)F 34a_100000210217_100011934356 [0,2,0,0,0,0|2,0,0]=4 19266 B12R1.226 Oc1cccc(c1)OCC(F)F 271570a_203496583355_100000763112 [0,2,0,0,0,0|2,0,0]=4 19267 B12R1.226 Oc1cccc(c1)SCC(F)F 62a_100011934356_100000211634 [0,2,0,0,0,0|2,0,0]=4 19268 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,2,0,0,0,0|0,0,2]=4 19269 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,2,0,0,0,0|0,0,2]=4 19270 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,2,0,0,0,0|0,0,2]=4 19271 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,2,0,0,0,0|0,0,2]=4 19272 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,2,0,0,0,0|0,0,2]=4 19273 B12R1.382 C#Cc1cccc(c1)CNCC 207a_100015525214_100011361529 [0,2,0,0,0,0|2,0,0]=4 19274 B12R1.382 C#Cc1cccc(c1)COCC 34a_100010272118_100000210202 [0,2,0,0,0,0|2,0,0]=4 19275 B12R1.382 C#Cc1cccc(c1)COCC 7a_100010272118_100000210202 [0,2,0,0,0,0|2,0,0]=4 19276 B12R1.382 C#Cc1cccc(c1)COCF 34a_100010272118_100015361967 [0,2,0,0,0,0|2,0,0]=4 19277 B12R1.382 C#Cc1cccc(c1)COCF 7a_100010272118_100015361967 [0,2,0,0,0,0|2,0,0]=4 19278 B12R1.382 C#Cc1cccc(c1)NCCC 2230a_100000735509_100000210303 [0,2,0,0,0,0|2,0,0]=4 19279 B12R1.382 C#Cc1cccc(c1)NCCC 34a_100000735509_100000210303 [0,2,0,0,0,0|2,0,0]=4 19280 B12R1.382 C#Cc1cccc(c1)NCCF 2230a_100000735509_100011217306 [0,2,0,0,0,0|2,0,0]=4 19281 B12R1.382 C#Cc1cccc(c1)NCCF 34a_100000735509_100011217306 [0,2,0,0,0,0|2,0,0]=4 19282 B12R1.382 C#Cc1cccc(c1)NCCO 2230a_100000735509_100000211926 [0,2,0,0,0,0|1,0,0]=3 19283 B12R1.382 C#Cc1cccc(c1)NCCO 34a_100000735509_100000211926 [0,2,0,0,0,0|1,0,0]=3 19284 B12R1.382 C#Cc1cccc(c1)OCCC 34a_100011216014_100000210303 [0,2,0,0,0,0|2,0,0]=4 19285 B12R1.382 C#Cc1cccc(c1)OCCC 7a_100011216014_100000210303 [0,2,0,0,0,0|2,0,0]=4 19286 B12R1.382 C#Cc1cccc(c1)OCCF 34a_100011216014_100011217306 [0,2,0,0,0,0|2,0,0]=4 19287 B12R1.382 C#Cc1cccc(c1)OCCF 7a_100011216014_100011217306 [0,2,0,0,0,0|2,0,0]=4 19288 B12R1.382 C#Cc1cccc(c1)OCCO 34a_100011216014_100000211926 [0,2,0,0,0,0|1,0,0]=3 19289 B12R1.382 C#Cc1cccc(c1)OCCO 7a_100011216014_100000211926 [0,2,0,0,0,0|1,0,0]=3 19290 B12R1.382 C=Cc1cc(ccn1)SCCO 62a_100000211926_100009845566 [0,2,0,0,0,0|2,0,0]=4 19291 B12R1.382 C=Cc1cc(ccn1)SCCO 62a_100009845566_100000211926 [0,2,0,0,0,0|2,0,0]=4 19292 B12R1.382 C=Cc1cccc(c1)C#CCO 271570a_100011290941_100009814051 [0,2,0,0,0,0|0,0,2]=4 19293 B12R1.382 C=Cc1cccc(c1)CCC#N 271570a_100011290941_100011219771 [0,2,0,0,0,0|1,0,1]=4 19294 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [0,2,0,0,0,0|1,0,0]=3 19295 B12R1.382 C=Cc1cccc(c1)CCCN 271570a_100011290941_100000753791 [0,2,0,0,0,0|1,0,0]=3 19296 B12R1.382 C=Cc1cccc(c1)CCCO 271570a_100011290941_100011709248 [0,2,0,0,0,0|0,0,0]=2 19297 B12R1.382 C=Cc1cccc(c1)CNCC 270004a_100015525214_100011218069 [0,2,0,0,0,0|2,0,0]=4 19298 B12R1.382 C=Cc1cccc(c1)CNCC 271570a_100011290941_100000187426 [0,2,0,0,0,0|2,0,0]=4 19299 B12R1.382 C=Cc1cccc(c1)COCC 271570a_100011290941_100011493694 [0,2,0,0,0,0|2,0,0]=4 19300 B12R1.382 C=Cc1cccc(c1)NCCC 34a_100011827668_100000210303 [0,2,0,0,0,0|2,0,0]=4 19301 B12R1.382 C=Cc1cccc(c1)NCCF 34a_100011827668_100011217306 [0,2,0,0,0,0|2,0,0]=4 19302 B12R1.382 C=Cc1cccc(c1)NCCO 34a_100011827668_100000211926 [0,2,0,0,0,0|1,0,0]=3 19303 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [0,2,0,0,0,0|2,0,0]=4 19304 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [0,2,0,0,0,0|2,0,0]=4 19305 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [0,2,0,0,0,0|2,0,0]=4 19306 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [0,2,0,0,0,0|2,0,0]=4 19307 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [0,2,0,0,0,0|2,0,0]=4 19308 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,2,0,0,0,0|2,0,0]=4 19309 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [0,2,0,0,0,0|1,0,0]=3 19310 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [0,2,0,0,0,0|1,0,0]=3 19311 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [0,2,0,0,0,0|1,0,0]=3 19312 B12R1.382 C=Cc1cccc(c1)SCCC 271570a_100011290941_200009815762 [0,2,0,0,0,0|2,0,0]=4 19313 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100000210303_100011215241 [0,2,0,0,0,0|2,0,0]=4 19314 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100011215241_100000210303 [0,2,0,0,0,0|2,0,0]=4 19315 B12R1.382 C=Cc1cccc(c1)SCCF 62a_100011215241_100011217306 [0,2,0,0,0,0|2,0,0]=4 19316 B12R1.382 C=Cc1cccc(c1)SCCF 62a_100011217306_100011215241 [0,2,0,0,0,0|2,0,0]=4 19317 B12R1.382 C=Cc1cccc(c1)SCCO 271570a_100011290941_200011756134 [0,2,0,0,0,0|1,0,0]=3 19318 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100000211926_100011215241 [0,2,0,0,0,0|1,0,0]=3 19319 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100011215241_100000211926 [0,2,0,0,0,0|1,0,0]=3 19320 B12R1.382 C=Cc1cccc(n1)NCCO 271570a_100011290941_200011880208 [0,2,0,0,0,0|2,0,0]=4 19321 B12R1.382 C=Cc1cncc(c1)SCCO 62a_100000211926_200012180632 [0,2,0,0,0,0|2,0,0]=4 19322 B12R1.382 C=Cc1cncc(c1)SCCO 62a_200012180632_100000211926 [0,2,0,0,0,0|2,0,0]=4 19323 B12R1.382 CCCCc1cc(ccn1)C#N 271570a_100020621405_100011291639 [0,2,0,0,0,0|2,0,0]=4 19324 B12R1.382 CCCCc1cc(ccn1)C=O 271570a_100020621405_100011290808 [0,2,0,0,0,0|2,0,0]=4 19325 B12R1.382 CCCCc1cc(ccn1)CC 271570a_100020621405_100009817561 [0,2,0,0,0,0|2,0,0]=4 19326 B12R1.382 CCCCc1cc(ccn1)CO 271570a_100020621405_100009814636 [0,2,0,0,0,0|2,0,0]=4 19327 B12R1.382 CCCCc1cc(ccn1)NC 271570a_100020621405_100009869472 [0,2,0,0,0,0|2,0,0]=4 19328 B12R1.382 CCCCc1cc(ccn1)OC 271570a_100020621405_100011216251 [0,2,0,0,0,0|2,0,0]=4 19329 B12R1.382 CCCCc1cc(ccn1)SC 271570a_100020621405_100010883326 [0,2,0,0,0,0|2,0,0]=4 19330 B12R1.382 CCCCc1cccc(c1)C#N 271570a_100020621405_100000189340 [0,2,0,0,0,0|1,0,0]=3 19331 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [0,2,0,0,0,0|1,0,0]=3 19332 B12R1.382 CCCCc1cccc(c1)CC 271570a_100020621405_100000684523 [0,2,0,0,0,0|1,0,0]=3 19333 B12R1.382 CCCCc1cccc(c1)CF 271570a_100020621405_100010878472 [0,2,0,0,0,0|1,0,0]=3 19334 B12R1.382 CCCCc1cccc(c1)CN 271570a_100020621405_100000106179 [0,2,0,0,0,0|1,0,0]=3 19335 B12R1.382 CCCCc1cccc(c1)CO 271570a_100020621405_100000687537 [0,2,0,0,0,0|1,0,0]=3 19336 B12R1.382 CCCCc1cccc(c1)NC 2230a_200012017287_200000210301 [0,2,0,0,0,0|1,0,0]=3 19337 B12R1.382 CCCCc1cccc(c1)NC 271570a_100020621405_100000219648 [0,2,0,0,0,0|1,0,0]=3 19338 B12R1.382 CCCCc1cccc(c1)NC 34a_200012017287_200000210301 [0,2,0,0,0,0|1,0,0]=3 19339 B12R1.382 CCCCc1cccc(c1)NC 7a_200012017287_200000210301 [0,2,0,0,0,0|1,0,0]=3 19340 B12R1.382 CCCCc1cccc(c1)NN 271570a_100020621405_100000217339 [0,2,0,0,0,0|1,0,0]=3 19341 B12R1.382 CCCCc1cccc(c1)N[13CH3] 2230a_200012017287_200025704644 [0,2,0,0,0,0|1,0,0]=3 19342 B12R1.382 CCCCc1cccc(c1)N[13CH3] 34a_200012017287_200025704644 [0,2,0,0,0,0|1,0,0]=3 19343 B12R1.382 CCCCc1cccc(c1)N[13CH3] 7a_200012017287_200025704644 [0,2,0,0,0,0|1,0,0]=3 19344 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [0,2,0,0,0,0|1,0,0]=3 19345 B12R1.382 CCCCc1cccc(c1)SC 271570a_100020621405_100011215954 [0,2,0,0,0,0|1,0,0]=3 19346 B12R1.382 CCCCc1cccc(c1)SC 62a_200000210301_200010244551 [0,2,0,0,0,0|1,0,0]=3 19347 B12R1.382 CCCCc1cccc(c1)SC 62a_200010244551_200000210301 [0,2,0,0,0,0|1,0,0]=3 19348 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200010244551_200025704644 [0,2,0,0,0,0|1,0,0]=3 19349 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200025704644_200010244551 [0,2,0,0,0,0|1,0,0]=3 19350 B12R1.382 CCCCc1cccc(n1)C#N 271570a_100020621405_100011934037 [0,2,0,0,0,0|2,0,0]=4 19351 B12R1.382 CCCCc1cccc(n1)C=O 271570a_100020621405_100000688028 [0,2,0,0,0,0|2,0,0]=4 19352 B12R1.382 CCCCc1cccc(n1)CC 271570a_100020621405_100009856026 [0,2,0,0,0,0|2,0,0]=4 19353 B12R1.382 CCCCc1cccc(n1)CN 271570a_100020621405_100016990191 [0,2,0,0,0,0|2,0,0]=4 19354 B12R1.382 CCCCc1cccc(n1)CO 271570a_100020621405_100000694195 [0,2,0,0,0,0|2,0,0]=4 19355 B12R1.382 CCCCc1cccc(n1)NC 271570a_100020621405_100000703281 [0,2,0,0,0,0|2,0,0]=4 19356 B12R1.382 CCCCc1cccc(n1)NN 271570a_100020621405_100009817029 [0,2,0,0,0,0|2,0,0]=4 19357 B12R1.382 CCCCc1cccc(n1)OC 271570a_100020621405_100000760917 [0,2,0,0,0,0|2,0,0]=4 19358 B12R1.382 CCCCc1cccc(n1)SC 271570a_100020621405_100011960944 [0,2,0,0,0,0|2,0,0]=4 19359 B12R1.382 CCCCc1ccnc(c1)C#N 271570a_100020621405_100000685610 [0,2,0,0,0,0|2,0,0]=4 19360 B12R1.382 CCCCc1ccnc(c1)C=O 271570a_100020621405_100011998288 [0,2,0,0,0,0|2,0,0]=4 19361 B12R1.382 CCCCc1ccnc(c1)CC 271570a_100020621405_100009820011 [0,2,0,0,0,0|2,0,0]=4 19362 B12R1.382 CCCCc1ccnc(c1)CN 271570a_100020621405_100000085674 [0,2,0,0,0,0|2,0,0]=4 19363 B12R1.382 CCCCc1ccnc(c1)CO 271570a_100020621405_100009819072 [0,2,0,0,0,0|2,0,0]=4 19364 B12R1.382 CCCCc1ccnc(c1)NC 271570a_100020621405_100009819592 [0,2,0,0,0,0|2,0,0]=4 19365 B12R1.382 CCCCc1ccnc(c1)NN 271570a_100020621405_100000764631 [0,2,0,0,0,0|2,0,0]=4 19366 B12R1.382 CCCCc1ccnc(c1)OC 271570a_100020621405_100000117307 [0,2,0,0,0,0|2,0,0]=4 19367 B12R1.382 CCCCc1cncc(c1)C#N 271570a_100020621405_100000686085 [0,2,0,0,0,0|2,0,0]=4 19368 B12R1.382 CCCCc1cncc(c1)C=O 271570a_100020621405_100000687066 [0,2,0,0,0,0|2,0,0]=4 19369 B12R1.382 CCCCc1cncc(c1)CC 271570a_100020621405_200009819073 [0,2,0,0,0,0|2,0,0]=4 19370 B12R1.382 CCCCc1cncc(c1)CN 271570a_100020621405_100011249555 [0,2,0,0,0,0|2,0,0]=4 19371 B12R1.382 CCCCc1cncc(c1)CO 271570a_100020621405_100011259137 [0,2,0,0,0,0|2,0,0]=4 19372 B12R1.382 CCCCc1cncc(c1)NC 271570a_100020621405_100012184536 [0,2,0,0,0,0|2,0,0]=4 19373 B12R1.382 CCCCc1cncc(c1)NN 271570a_100020621405_100000727789 [0,2,0,0,0,0|2,0,0]=4 19374 B12R1.382 CCCCc1cncc(c1)OC 271570a_100020621405_100000684773 [0,2,0,0,0,0|2,0,0]=4 19375 B12R1.382 CCCCc1cncc(c1)SC 271570a_100020621405_100009816972 [0,2,0,0,0,0|2,0,0]=4 19376 B12R1.382 CCCNc1cccc(c1)C#N 34a_100000210922_100000210303 [0,2,0,0,0,0|2,0,0]=4 19377 B12R1.382 CCCNc1cccc(c1)C#N 7a_100000210922_100000210303 [0,2,0,0,0,0|2,0,0]=4 19378 B12R1.382 CCCNc1cccc(c1)CC 2230a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 19379 B12R1.382 CCCNc1cccc(c1)CC 34a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 19380 B12R1.382 CCCNc1cccc(c1)CC 7a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 19381 B12R1.382 CCCNc1cccc(c1)CF 2230a_100000126320_100000210303 [0,2,0,0,0,0|2,0,0]=4 19382 B12R1.382 CCCNc1cccc(c1)CF 34a_100000126320_100000210303 [0,2,0,0,0,0|2,0,0]=4 19383 B12R1.382 CCCNc1cccc(c1)CF 7a_100000126320_100000210303 [0,2,0,0,0,0|2,0,0]=4 19384 B12R1.382 CCCNc1cccc(c1)CO 2230a_100000211919_100000210303 [0,2,0,0,0,0|2,0,0]=4 19385 B12R1.382 CCCNc1cccc(c1)CO 34a_100000211919_100000210303 [0,2,0,0,0,0|2,0,0]=4 19386 B12R1.382 CCCNc1cccc(c1)OC 34a_100000210024_100000210303 [0,2,0,0,0,0|2,0,0]=4 19387 B12R1.382 CCCNc1cccc(c1)SC 2230a_100000210049_100000210303 [0,2,0,0,0,0|2,0,0]=4 19388 B12R1.382 CCCNc1cccc(c1)SC 34a_100000210049_100000210303 [0,2,0,0,0,0|2,0,0]=4 19389 B12R1.382 CCCOc1cccc(c1)C#N 34a_100000184713_100000210303 [0,2,0,0,0,0|2,0,0]=4 19390 B12R1.382 CCCOc1cccc(c1)C#N 7a_100000184713_100000210303 [0,2,0,0,0,0|2,0,0]=4 19391 B12R1.382 CCCOc1cccc(c1)CBr 34a_100011660834_100000210303 [0,2,0,0,0,0|2,0,0]=4 19392 B12R1.382 CCCOc1cccc(c1)CBr 7a_100011660834_100000210303 [0,2,0,0,0,0|2,0,0]=4 19393 B12R1.382 CCCOc1cccc(c1)CC 34a_100000211550_100000210303 [0,2,0,0,0,0|2,0,0]=4 19394 B12R1.382 CCCOc1cccc(c1)CC 7a_100000211550_100000210303 [0,2,0,0,0,0|2,0,0]=4 19395 B12R1.382 CCCOc1cccc(c1)CCl 34a_100000084143_100000210303 [0,2,0,0,0,0|2,0,0]=4 19396 B12R1.382 CCCOc1cccc(c1)CCl 7a_100000084143_100000210303 [0,2,0,0,0,0|2,0,0]=4 19397 B12R1.382 CCCOc1cccc(c1)CN 34a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 19398 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [0,2,0,0,0,0|2,0,0]=4 19399 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [0,2,0,0,0,0|2,0,0]=4 19400 B12R1.382 CCCOc1cccc(c1)NC 34a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 19401 B12R1.382 CCCOc1cccc(c1)NC 7a_100000756613_100000210303 [0,2,0,0,0,0|2,0,0]=4 19402 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [0,2,0,0,0,0|2,0,0]=4 19403 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [0,2,0,0,0,0|2,0,0]=4 19404 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [0,2,0,0,0,0|2,0,0]=4 19405 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [0,2,0,0,0,0|2,0,0]=4 19406 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [0,2,0,0,0,0|2,0,0]=4 19407 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [0,2,0,0,0,0|2,0,0]=4 19408 B12R1.382 CCCOc1cccc(c1)SC 34a_100011265683_100000210303 [0,2,0,0,0,0|2,0,0]=4 19409 B12R1.382 CCCOc1cccc(c1)SC 62a_100000170004_200000210301 [0,2,0,0,0,0|2,0,0]=4 19410 B12R1.382 CCCOc1cccc(c1)SC 62a_200000210301_100000170004 [0,2,0,0,0,0|2,0,0]=4 19411 B12R1.382 CCCOc1cccc(c1)SC 7a_100011265683_100000210303 [0,2,0,0,0,0|2,0,0]=4 19412 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_100000170004_200025704644 [0,2,0,0,0,0|2,0,0]=4 19413 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170004 [0,2,0,0,0,0|2,0,0]=4 19414 B12R1.382 CCCSc1cccc(c1)C#N 62a_100000210303_100000189340 [0,2,0,0,0,0|2,0,0]=4 19415 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000014684_100000210303 [0,2,0,0,0,0|2,0,0]=4 19416 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000210303_100000014684 [0,2,0,0,0,0|2,0,0]=4 19417 B12R1.382 CCCSc1cccc(c1)CC 62a_100000210303_100011263222 [0,2,0,0,0,0|2,0,0]=4 19418 B12R1.382 CCCSc1cccc(c1)CC 62a_100011263222_100000210303 [0,2,0,0,0,0|2,0,0]=4 19419 B12R1.382 CCCSc1cccc(c1)CF 62a_100000210303_100010878472 [0,2,0,0,0,0|2,0,0]=4 19420 B12R1.382 CCCSc1cccc(c1)CF 62a_100010878472_100000210303 [0,2,0,0,0,0|2,0,0]=4 19421 B12R1.382 CCCSc1cccc(c1)CN 62a_100000106179_100000210303 [0,2,0,0,0,0|2,0,0]=4 19422 B12R1.382 CCCSc1cccc(c1)CN 62a_100000210303_100000106179 [0,2,0,0,0,0|2,0,0]=4 19423 B12R1.382 CCCSc1cccc(c1)CO 62a_100000210303_100000687537 [0,2,0,0,0,0|2,0,0]=4 19424 B12R1.382 CCCSc1cccc(c1)CO 62a_100000687537_100000210303 [0,2,0,0,0,0|2,0,0]=4 19425 B12R1.382 CCCSc1cccc(c1)NC 62a_100000210303_100000219648 [0,2,0,0,0,0|2,0,0]=4 19426 B12R1.382 CCCSc1cccc(c1)NC 62a_100000219648_100000210303 [0,2,0,0,0,0|2,0,0]=4 19427 B12R1.382 CCCSc1cccc(c1)NN 62a_100000210303_100000217339 [0,2,0,0,0,0|2,0,0]=4 19428 B12R1.382 CCCSc1cccc(c1)NN 62a_100000217339_100000210303 [0,2,0,0,0,0|2,0,0]=4 19429 B12R1.382 CCCSc1cccc(c1)OC 62a_100000210303_100000170001 [0,2,0,0,0,0|2,0,0]=4 19430 B12R1.382 CCCSc1cccc(c1)SC 62a_100000210303_100011215954 [0,2,0,0,0,0|2,0,0]=4 19431 B12R1.382 CCCSc1cccc(c1)SC 62a_100011215954_100000210303 [0,2,0,0,0,0|2,0,0]=4 19432 B12R1.382 CCCSc1cccc(c1)SC 62a_200000210301_200009815762 [0,2,0,0,0,0|2,0,0]=4 19433 B12R1.382 CCCSc1cccc(c1)SC 62a_200009815762_200000210301 [0,2,0,0,0,0|2,0,0]=4 19434 B12R1.382 CCCSc1cccc(c1)S[13CH3] 62a_200009815762_200025704644 [0,2,0,0,0,0|2,0,0]=4 19435 B12R1.382 CCCSc1cccc(c1)S[13CH3] 62a_200025704644_200009815762 [0,2,0,0,0,0|2,0,0]=4 19436 B12R1.382 CCNCc1cccc(c1)C#N 207a_100015525214_100000241001 [0,2,0,0,0,0|2,0,0]=4 19437 B12R1.382 CCNCc1cccc(c1)C#N 2230a_100015525214_100000233786 [0,2,0,0,0,0|2,0,0]=4 19438 B12R1.382 CCNCc1cccc(c1)C#N 270004a_100015525214_100000241001 [0,2,0,0,0,0|2,0,0]=4 19439 B12R1.382 CCNCc1cccc(c1)C#N 34a_100000755147_100000210202 [0,2,0,0,0,0|2,0,0]=4 19440 B12R1.382 CCNCc1cccc(c1)C=O 2230a_100015525214_100009816774 [0,2,0,0,0,0|2,0,0]=4 19441 B12R1.382 CCNCc1cccc(c1)CC 207a_100015525214_100011999841 [0,2,0,0,0,0|2,0,0]=4 19442 B12R1.382 CCNCc1cccc(c1)CC 270004a_100015525214_100011999841 [0,2,0,0,0,0|2,0,0]=4 19443 B12R1.382 CCNCc1cccc(c1)CO 207a_100015525214_200000050894 [0,2,0,0,0,0|2,0,0]=4 19444 B12R1.382 CCNCc1cccc(c1)CO 2230a_100011269909_100000210202 [0,2,0,0,0,0|2,0,0]=4 19445 B12R1.382 CCNCc1cccc(c1)CO 2230a_100015525214_100010188025 [0,2,0,0,0,0|2,0,0]=4 19446 B12R1.382 CCNCc1cccc(c1)CO 270004a_100015525214_200000050894 [0,2,0,0,0,0|2,0,0]=4 19447 B12R1.382 CCNCc1cccc(c1)CO 34a_100011269909_100000210202 [0,2,0,0,0,0|2,0,0]=4 19448 B12R1.382 CCNCc1cccc(c1)OC 207a_100015525214_100000170238 [0,2,0,0,0,0|2,0,0]=4 19449 B12R1.382 CCNCc1cccc(c1)OC 2230a_100000174954_100000210202 [0,2,0,0,0,0|2,0,0]=4 19450 B12R1.382 CCNCc1cccc(c1)OC 2230a_100015525214_100000211672 [0,2,0,0,0,0|2,0,0]=4 19451 B12R1.382 CCNCc1cccc(c1)OC 270004a_100015525214_100000170238 [0,2,0,0,0,0|2,0,0]=4 19452 B12R1.382 CCNCc1cccc(c1)OC 34a_100000174954_100000210202 [0,2,0,0,0,0|2,0,0]=4 19453 B12R1.382 CCNCc1cccc(c1)OC 34a_100000201218_200000210301 [0,2,0,0,0,0|2,0,0]=4 19454 B12R1.382 CCNCc1cccc(c1)O[13CH3] 34a_100000201218_200025704644 [0,2,0,0,0,0|2,0,0]=4 19455 B12R1.382 CCNCc1cccc(c1)SC 207a_100015525214_100011935093 [0,2,0,0,0,0|2,0,0]=4 19456 B12R1.382 CCNCc1cccc(c1)SC 270004a_100015525214_100011935093 [0,2,0,0,0,0|2,0,0]=4 19457 B12R1.382 CCNCc1cccc(c1)SC 62a_100000187426_200000210301 [0,2,0,0,0,0|2,0,0]=4 19458 B12R1.382 CCNCc1cccc(c1)SC 62a_200000210301_100000187426 [0,2,0,0,0,0|2,0,0]=4 19459 B12R1.382 CCNCc1cccc(c1)S[13CH3] 62a_100000187426_200025704644 [0,2,0,0,0,0|2,0,0]=4 19460 B12R1.382 CCNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187426 [0,2,0,0,0,0|2,0,0]=4 19461 B12R1.382 CCOCc1cccc(c1)C#N 34a_100000753308_100000210202 [0,2,0,0,0,0|2,0,0]=4 19462 B12R1.382 CCOCc1cccc(c1)C#N 34a_100121572206_100000233786 [0,2,0,0,0,0|2,0,0]=4 19463 B12R1.382 CCOCc1cccc(c1)C#N 7a_100000753308_100000210202 [0,2,0,0,0,0|2,0,0]=4 19464 B12R1.382 CCOCc1cccc(c1)C=O 34a_100121572206_100009816774 [0,2,0,0,0,0|2,0,0]=4 19465 B12R1.382 CCOCc1cccc(c1)CBr 34a_100010188025_100000210202 [0,2,0,0,0,0|2,0,0]=4 19466 B12R1.382 CCOCc1cccc(c1)CBr 7a_100010188025_100000210202 [0,2,0,0,0,0|2,0,0]=4 19467 B12R1.382 CCOCc1cccc(c1)CCl 34a_200000090956_100000210202 [0,2,0,0,0,0|2,0,0]=4 19468 B12R1.382 CCOCc1cccc(c1)CCl 7a_200000090956_100000210202 [0,2,0,0,0,0|2,0,0]=4 19469 B12R1.382 CCOCc1cccc(c1)CN 34a_100011269909_100000210202 [0,2,0,0,0,0|2,0,0]=4 19470 B12R1.382 CCOCc1cccc(c1)CO 34a_100121572206_100010188025 [0,2,0,0,0,0|2,0,0]=4 19471 B12R1.382 CCOCc1cccc(c1)OC 34a_100000198976_100000210202 [0,2,0,0,0,0|2,0,0]=4 19472 B12R1.382 CCOCc1cccc(c1)OC 34a_100121572206_100000688526 [0,2,0,0,0,0|2,0,0]=4 19473 B12R1.382 CCOCc1cccc(c1)SC 62a_100011493694_200000210301 [0,2,0,0,0,0|2,0,0]=4 19474 B12R1.382 CCOCc1cccc(c1)SC 62a_200000210301_100011493694 [0,2,0,0,0,0|2,0,0]=4 19475 B12R1.382 CCOCc1cccc(c1)S[13CH3] 62a_100011493694_200025704644 [0,2,0,0,0,0|2,0,0]=4 19476 B12R1.382 CCOCc1cccc(c1)S[13CH3] 62a_200025704644_100011493694 [0,2,0,0,0,0|2,0,0]=4 19477 B12R1.382 CCSCc1cccc(c1)C#N 62a_100000210202_100000233786 [0,2,0,0,0,0|2,0,0]=4 19478 B12R1.382 CCSCc1cccc(c1)C=O 62a_100000210202_100009816774 [0,2,0,0,0,0|2,0,0]=4 19479 B12R1.382 CCSCc1cccc(c1)C=O 62a_100009816774_100000210202 [0,2,0,0,0,0|2,0,0]=4 19480 B12R1.382 CCSCc1cccc(c1)CO 62a_100000210202_100010188025 [0,2,0,0,0,0|2,0,0]=4 19481 B12R1.382 CCSCc1cccc(c1)CO 62a_100010188025_100000210202 [0,2,0,0,0,0|2,0,0]=4 19482 B12R1.382 CCSCc1cccc(c1)OC 62a_100000210202_100000211672 [0,2,0,0,0,0|2,0,0]=4 19483 B12R1.382 CCSCc1cccc(c1)OC 62a_100000688526_100000210202 [0,2,0,0,0,0|2,0,0]=4 19484 B12R1.382 CC[n+]1cccc(c1)OCCO 34a_100000731997_100000211926 [0,2,0,0,0,0|2,0,0]=4 19485 B12R1.382 CC[n+]1cccc(c1)OCCO 7a_100000731997_100000211926 [0,2,0,0,0,0|2,0,0]=4 19486 B12R1.382 CCc1cc(ccn1)NCCO 27a_100000210304_100009820011 [0,2,0,0,0,0|2,0,0]=4 19487 B12R1.382 CCc1cc(ccn1)SCCO 62a_100000211926_100009820011 [0,2,0,0,0,0|2,0,0]=4 19488 B12R1.382 CCc1cc(ccn1)SCCO 62a_100009820011_100000211926 [0,2,0,0,0,0|2,0,0]=4 19489 B12R1.382 CCc1cccc(c1)NCCF 2230a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 19490 B12R1.382 CCc1cccc(c1)NCCF 34a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 19491 B12R1.382 CCc1cccc(c1)NCCF 7a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 19492 B12R1.382 CCc1cccc(c1)NCCO 2230a_100000211250_100000211926 [0,2,0,0,0,0|1,0,0]=3 19493 B12R1.382 CCc1cccc(c1)NCCO 34a_100000211250_100000211926 [0,2,0,0,0,0|1,0,0]=3 19494 B12R1.382 CCc1cccc(c1)NCCO 7a_100000211250_100000211926 [0,2,0,0,0,0|1,0,0]=3 19495 B12R1.382 CCc1cccc(c1)OCCF 34a_100000211550_100011217306 [0,2,0,0,0,0|2,0,0]=4 19496 B12R1.382 CCc1cccc(c1)OCCF 7a_100000211550_100011217306 [0,2,0,0,0,0|2,0,0]=4 19497 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [0,2,0,0,0,0|1,0,0]=3 19498 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [0,2,0,0,0,0|1,0,0]=3 19499 B12R1.382 CCc1cccc(c1)SCCF 62a_100011217306_100011263222 [0,2,0,0,0,0|2,0,0]=4 19500 B12R1.382 CCc1cccc(c1)SCCF 62a_100011263222_100011217306 [0,2,0,0,0,0|2,0,0]=4 19501 B12R1.382 CCc1cccc(c1)SCCO 62a_100000211926_100011263222 [0,2,0,0,0,0|1,0,0]=3 19502 B12R1.382 CCc1cccc(c1)SCCO 62a_100011263222_100000211926 [0,2,0,0,0,0|1,0,0]=3 19503 B12R1.382 CCc1cccc(n1)SCCO 62a_100000211926_100009856026 [0,2,0,0,0,0|2,0,0]=4 19504 B12R1.382 CCc1cccc(n1)SCCO 62a_100009856026_100000211926 [0,2,0,0,0,0|2,0,0]=4 19505 B12R1.382 CCc1ccnc(c1)NCCO 27a_100000210304_100009817561 [0,2,0,0,0,0|2,0,0]=4 19506 B12R1.382 CCc1ccnc(c1)SCCO 62a_100000211926_100009817561 [0,2,0,0,0,0|2,0,0]=4 19507 B12R1.382 CCc1ccnc(c1)SCCO 62a_100009817561_100000211926 [0,2,0,0,0,0|2,0,0]=4 19508 B12R1.382 CCc1cncc(c1)OCCO 34a_200009861530_100000211926 [0,2,0,0,0,0|2,0,0]=4 19509 B12R1.382 CCc1cncc(c1)OCCO 7a_200009861530_100000211926 [0,2,0,0,0,0|2,0,0]=4 19510 B12R1.382 CCc1cncc(c1)SCCO 62a_100000211926_200009819073 [0,2,0,0,0,0|2,0,0]=4 19511 B12R1.382 CCc1cncc(c1)SCCO 62a_200009819073_100000211926 [0,2,0,0,0,0|2,0,0]=4 19512 B12R1.382 CNCCc1cccc(c1)OC 2230a_100000740386_200000210301 [0,2,0,0,0,0|2,0,0]=4 19513 B12R1.382 CNCCc1cccc(c1)OC 2230a_106832991635_100011713679 [0,2,0,0,0,0|2,0,0]=4 19514 B12R1.382 CNCCc1cccc(c1)OC 34a_100000740386_200000210301 [0,2,0,0,0,0|2,0,0]=4 19515 B12R1.382 CNCCc1cccc(c1)OC 34a_100102657272_100011713679 [0,2,0,0,0,0|2,0,0]=4 19516 B12R1.382 CNCCc1cccc(c1)OC 7a_106832991635_100011713679 [0,2,0,0,0,0|2,0,0]=4 19517 B12R1.382 CNc1cc(ccn1)SCCO 62a_100000211926_100009819592 [0,2,0,0,0,0|2,0,0]=4 19518 B12R1.382 CNc1cc(ccn1)SCCO 62a_100009819592_100000211926 [0,2,0,0,0,0|2,0,0]=4 19519 B12R1.382 CNc1cccc(c1)CCCO 2230a_200000698965_200000210301 [0,2,0,0,0,0|0,0,0]=2 19520 B12R1.382 CNc1cccc(c1)CCCO 34a_200000698965_200000210301 [0,2,0,0,0,0|0,0,0]=2 19521 B12R1.382 CNc1cccc(c1)CCCO 7a_200000698965_200000210301 [0,2,0,0,0,0|0,0,0]=2 19522 B12R1.382 CNc1cccc(c1)OCCF 34a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 19523 B12R1.382 CNc1cccc(c1)OCCF 7a_100000756613_100011217306 [0,2,0,0,0,0|2,0,0]=4 19524 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [0,2,0,0,0,0|1,0,0]=3 19525 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 19526 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [0,2,0,0,0,0|1,0,0]=3 19527 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 19528 B12R1.382 CNc1cccc(c1)SCCF 62a_100000219648_100011217306 [0,2,0,0,0,0|2,0,0]=4 19529 B12R1.382 CNc1cccc(c1)SCCF 62a_100011217306_100000219648 [0,2,0,0,0,0|2,0,0]=4 19530 B12R1.382 CNc1cccc(c1)SCCO 62a_100000211926_100000219648 [0,2,0,0,0,0|1,0,0]=3 19531 B12R1.382 CNc1cccc(c1)SCCO 62a_100000219648_100000211926 [0,2,0,0,0,0|1,0,0]=3 19532 B12R1.382 CNc1cccc(n1)SCCO 62a_100000211926_100000703281 [0,2,0,0,0,0|2,0,0]=4 19533 B12R1.382 CNc1cccc(n1)SCCO 62a_100000703281_100000211926 [0,2,0,0,0,0|2,0,0]=4 19534 B12R1.382 CNc1ccnc(c1)SCCO 62a_100000211926_100009869472 [0,2,0,0,0,0|2,0,0]=4 19535 B12R1.382 CNc1ccnc(c1)SCCO 62a_100009869472_100000211926 [0,2,0,0,0,0|2,0,0]=4 19536 B12R1.382 CNc1cncc(c1)SCCO 62a_100000211926_100012184536 [0,2,0,0,0,0|2,0,0]=4 19537 B12R1.382 CNc1cncc(c1)SCCO 62a_100012184536_100000211926 [0,2,0,0,0,0|2,0,0]=4 19538 B12R1.382 COCCc1cccc(c1)C#N 34a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 19539 B12R1.382 COCCc1cccc(c1)C#N 7a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 19540 B12R1.382 COCCc1cccc(c1)OC 34a_100011215300_200000210301 [0,2,0,0,0,0|2,0,0]=4 19541 B12R1.382 COCCc1cccc(c1)OC 34a_100138415774_100011713679 [0,2,0,0,0,0|2,0,0]=4 19542 B12R1.382 COCCc1cccc(c1)OC 7a_100011215300_200000210301 [0,2,0,0,0,0|2,0,0]=4 19543 B12R1.382 COc1cc(ccn1)OCCO 34a_100012181050_100000211926 [0,2,0,0,0,0|2,0,0]=4 19544 B12R1.382 COc1cc(ccn1)SCCO 62a_100000117307_100000211926 [0,2,0,0,0,0|2,0,0]=4 19545 B12R1.382 COc1cc(ccn1)SCCO 62a_100000211926_100000117307 [0,2,0,0,0,0|2,0,0]=4 19546 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [0,2,0,0,0,0|0,0,0]=2 19547 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [0,2,0,0,0,0|0,0,0]=2 19548 B12R1.382 COc1cccc(c1)CCN[13CH3] 2230a_100000740386_200025704644 [0,2,0,0,0,0|2,0,0]=4 19549 B12R1.382 COc1cccc(c1)CCN[13CH3] 34a_100000740386_200025704644 [0,2,0,0,0,0|2,0,0]=4 19550 B12R1.382 COc1cccc(c1)CCO[13CH3] 34a_100011215300_200025704644 [0,2,0,0,0,0|2,0,0]=4 19551 B12R1.382 COc1cccc(c1)CCO[13CH3] 7a_100011215300_200025704644 [0,2,0,0,0,0|2,0,0]=4 19552 B12R1.382 COc1cccc(c1)CCSC 62a_100011713679_200000210301 [0,2,0,0,0,0|2,0,0]=4 19553 B12R1.382 COc1cccc(c1)CCSC 62a_200000210301_100011713679 [0,2,0,0,0,0|2,0,0]=4 19554 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_100011713679_200025704644 [0,2,0,0,0,0|2,0,0]=4 19555 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713679 [0,2,0,0,0,0|2,0,0]=4 19556 B12R1.382 COc1cccc(c1)CNCF 34a_100000174954_100015361967 [0,2,0,0,0,0|2,0,0]=4 19557 B12R1.382 COc1cccc(c1)COCF 34a_100000198976_100015361967 [0,2,0,0,0,0|2,0,0]=4 19558 B12R1.382 COc1cccc(c1)CSCF 62a_100000688526_100015361967 [0,2,0,0,0,0|2,0,0]=4 19559 B12R1.382 COc1cccc(c1)CSCF 62a_100015361967_100000211672 [0,2,0,0,0,0|2,0,0]=4 19560 B12R1.382 COc1cccc(c1)NCCF 34a_100000210024_100011217306 [0,2,0,0,0,0|2,0,0]=4 19561 B12R1.382 COc1cccc(c1)NCCO 34a_100000210024_100000211926 [0,2,0,0,0,0|1,0,0]=3 19562 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [0,2,0,0,0,0|2,0,0]=4 19563 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [0,2,0,0,0,0|2,0,0]=4 19564 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [0,2,0,0,0,0|1,0,0]=3 19565 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [0,2,0,0,0,0|1,0,0]=3 19566 B12R1.382 COc1cccc(c1)SCCF 62a_100011217306_100000170001 [0,2,0,0,0,0|2,0,0]=4 19567 B12R1.382 COc1cccc(c1)SCCO 62a_100000211926_100000170001 [0,2,0,0,0,0|1,0,0]=3 19568 B12R1.382 COc1cccc(n1)SCCO 62a_100000211926_100000760917 [0,2,0,0,0,0|2,0,0]=4 19569 B12R1.382 COc1cccc(n1)SCCO 62a_100000760917_100000211926 [0,2,0,0,0,0|2,0,0]=4 19570 B12R1.382 COc1ccnc(c1)SCCO 62a_100000211926_100011216251 [0,2,0,0,0,0|2,0,0]=4 19571 B12R1.382 COc1ccnc(c1)SCCO 62a_100009817693_100000211926 [0,2,0,0,0,0|2,0,0]=4 19572 B12R1.382 COc1cncc(c1)OCCO 34a_100000084572_100000211926 [0,2,0,0,0,0|2,0,0]=4 19573 B12R1.382 COc1cncc(c1)OCCO 7a_100000084572_100000211926 [0,2,0,0,0,0|2,0,0]=4 19574 B12R1.382 COc1cncc(c1)SCCO 62a_100000050176_100000211926 [0,2,0,0,0,0|2,0,0]=4 19575 B12R1.382 COc1cncc(c1)SCCO 62a_100000211926_100000050176 [0,2,0,0,0,0|2,0,0]=4 19576 B12R1.382 CSc1cccc(c1)C#CCO 62a_100009814051_200000210301 [0,2,0,0,0,0|0,0,2]=4 19577 B12R1.382 CSc1cccc(c1)C#CCO 62a_200000210301_100009814051 [0,2,0,0,0,0|0,0,2]=4 19578 B12R1.382 CSc1cccc(c1)CCC#N 62a_100011219771_200000210301 [0,2,0,0,0,0|1,0,1]=4 19579 B12R1.382 CSc1cccc(c1)CCC#N 62a_200000210301_100011219771 [0,2,0,0,0,0|1,0,1]=4 19580 B12R1.382 CSc1cccc(c1)CCCN 62a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 19581 B12R1.382 CSc1cccc(c1)CCCN 62a_200000210301_100000753791 [0,2,0,0,0,0|1,0,0]=3 19582 B12R1.382 CSc1cccc(c1)CCCO 62a_100011709248_200000210301 [0,2,0,0,0,0|0,0,0]=2 19583 B12R1.382 CSc1cccc(c1)CCCO 62a_200000210301_100011709248 [0,2,0,0,0,0|0,0,0]=2 19584 B12R1.382 CSc1cccc(c1)NCCF 2230a_100000210049_100011217306 [0,2,0,0,0,0|2,0,0]=4 19585 B12R1.382 CSc1cccc(c1)NCCF 34a_100000210049_100011217306 [0,2,0,0,0,0|2,0,0]=4 19586 B12R1.382 CSc1cccc(c1)NCCO 2230a_100000210049_100000211926 [0,2,0,0,0,0|1,0,0]=3 19587 B12R1.382 CSc1cccc(c1)NCCO 34a_100000210049_100000211926 [0,2,0,0,0,0|1,0,0]=3 19588 B12R1.382 CSc1cccc(c1)OCCF 34a_100011265683_100011217306 [0,2,0,0,0,0|2,0,0]=4 19589 B12R1.382 CSc1cccc(c1)OCCF 7a_100011265683_100011217306 [0,2,0,0,0,0|2,0,0]=4 19590 B12R1.382 CSc1cccc(c1)OCCN 62a_100000743521_200000210301 [0,2,0,0,0,0|2,0,0]=4 19591 B12R1.382 CSc1cccc(c1)OCCN 62a_200000210301_100000743521 [0,2,0,0,0,0|2,0,0]=4 19592 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [0,2,0,0,0,0|1,0,0]=3 19593 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [0,2,0,0,0,0|1,0,0]=3 19594 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [0,2,0,0,0,0|1,0,0]=3 19595 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [0,2,0,0,0,0|1,0,0]=3 19596 B12R1.382 CSc1cccc(c1)SCCF 62a_100011215954_100011217306 [0,2,0,0,0,0|2,0,0]=4 19597 B12R1.382 CSc1cccc(c1)SCCF 62a_100011217306_100011215954 [0,2,0,0,0,0|2,0,0]=4 19598 B12R1.382 CSc1cccc(c1)SCCO 62a_100000211926_100011215954 [0,2,0,0,0,0|1,0,0]=3 19599 B12R1.382 CSc1cccc(c1)SCCO 62a_100011215954_100000211926 [0,2,0,0,0,0|1,0,0]=3 19600 B12R1.382 CSc1cccc(c1)SCCO 62a_200000210301_200011756134 [0,2,0,0,0,0|1,0,0]=3 19601 B12R1.382 CSc1cccc(c1)SCCO 62a_200011756134_200000210301 [0,2,0,0,0,0|1,0,0]=3 19602 B12R1.382 CSc1cccc(n1)NCCO 62a_200000210301_200011880208 [0,2,0,0,0,0|2,0,0]=4 19603 B12R1.382 CSc1cccc(n1)NCCO 62a_200011880208_200000210301 [0,2,0,0,0,0|2,0,0]=4 19604 B12R1.382 CSc1cccc(n1)SCCO 62a_100000211926_100011960944 [0,2,0,0,0,0|2,0,0]=4 19605 B12R1.382 CSc1cccc(n1)SCCO 62a_100011960944_100000211926 [0,2,0,0,0,0|2,0,0]=4 19606 B12R1.382 CSc1ccnc(c1)SCCO 62a_100000211926_100010883326 [0,2,0,0,0,0|2,0,0]=4 19607 B12R1.382 CSc1ccnc(c1)SCCO 62a_100010883326_100000211926 [0,2,0,0,0,0|2,0,0]=4 19608 B12R1.382 CSc1cncc(c1)SCCO 62a_100000211926_100009816972 [0,2,0,0,0,0|2,0,0]=4 19609 B12R1.382 CSc1cncc(c1)SCCO 62a_100009816972_100000211926 [0,2,0,0,0,0|2,0,0]=4 19610 B12R1.382 FCCNc1cccc(c1)CF 2230a_100000126320_100011217306 [0,2,0,0,0,0|2,0,0]=4 19611 B12R1.382 FCCNc1cccc(c1)CF 34a_100000126320_100011217306 [0,2,0,0,0,0|2,0,0]=4 19612 B12R1.382 FCCNc1cccc(c1)CF 7a_100000126320_100011217306 [0,2,0,0,0,0|2,0,0]=4 19613 B12R1.382 FCCOc1cccc(c1)CBr 34a_100011660834_100011217306 [0,2,0,0,0,0|2,0,0]=4 19614 B12R1.382 FCCOc1cccc(c1)CBr 7a_100011660834_100011217306 [0,2,0,0,0,0|2,0,0]=4 19615 B12R1.382 FCCOc1cccc(c1)CCl 34a_100000084143_100011217306 [0,2,0,0,0,0|2,0,0]=4 19616 B12R1.382 FCCOc1cccc(c1)CCl 7a_100000084143_100011217306 [0,2,0,0,0,0|2,0,0]=4 19617 B12R1.382 FCCSc1cccc(c1)CF 62a_100010878472_100011217306 [0,2,0,0,0,0|2,0,0]=4 19618 B12R1.382 FCCSc1cccc(c1)CF 62a_100011217306_100010878472 [0,2,0,0,0,0|2,0,0]=4 19619 B12R1.382 FCOCc1cccc(c1)CBr 34a_100010188025_100015361967 [0,2,0,0,0,0|2,0,0]=4 19620 B12R1.382 FCOCc1cccc(c1)CBr 7a_100010188025_100015361967 [0,2,0,0,0,0|2,0,0]=4 19621 B12R1.382 FCOCc1cccc(c1)CCl 34a_200000090956_100015361967 [0,2,0,0,0,0|2,0,0]=4 19622 B12R1.382 FCOCc1cccc(c1)CCl 7a_200000090956_100015361967 [0,2,0,0,0,0|2,0,0]=4 19623 B12R1.382 N#Cc1cc(ccn1)NCCO 27a_100000210304_100000685610 [0,2,0,0,0,0|2,0,0]=4 19624 B12R1.382 N#Cc1cc(ccn1)OCCO 34a_100011777083_100000211926 [0,2,0,0,0,0|2,0,0]=4 19625 B12R1.382 N#Cc1cc(ccn1)OCCO 7a_100011777083_100000211926 [0,2,0,0,0,0|2,0,0]=4 19626 B12R1.382 N#Cc1cc(ccn1)SCCO 62a_100000211926_100000685610 [0,2,0,0,0,0|2,0,0]=4 19627 B12R1.382 N#Cc1cccc(c1)CNCF 34a_100000755147_100015361967 [0,2,0,0,0,0|2,0,0]=4 19628 B12R1.382 N#Cc1cccc(c1)COCF 34a_100000753308_100015361967 [0,2,0,0,0,0|2,0,0]=4 19629 B12R1.382 N#Cc1cccc(c1)COCF 7a_100000753308_100015361967 [0,2,0,0,0,0|2,0,0]=4 19630 B12R1.382 N#Cc1cccc(c1)CSCF 62a_100015361967_100000233786 [0,2,0,0,0,0|2,0,0]=4 19631 B12R1.382 N#Cc1cccc(c1)NCCF 34a_100000210922_100011217306 [0,2,0,0,0,0|2,0,0]=4 19632 B12R1.382 N#Cc1cccc(c1)NCCF 7a_100000210922_100011217306 [0,2,0,0,0,0|2,0,0]=4 19633 B12R1.382 N#Cc1cccc(c1)NCCO 34a_100000210922_100000211926 [0,2,0,0,0,0|1,0,0]=3 19634 B12R1.382 N#Cc1cccc(c1)NCCO 7a_100000210922_100000211926 [0,2,0,0,0,0|1,0,0]=3 19635 B12R1.382 N#Cc1cccc(c1)OCCF 34a_100000184713_100011217306 [0,2,0,0,0,0|2,0,0]=4 19636 B12R1.382 N#Cc1cccc(c1)OCCF 7a_100000184713_100011217306 [0,2,0,0,0,0|2,0,0]=4 19637 B12R1.382 N#Cc1cccc(c1)OCCO 34a_100000184713_100000211926 [0,2,0,0,0,0|1,0,0]=3 19638 B12R1.382 N#Cc1cccc(c1)OCCO 7a_100000184713_100000211926 [0,2,0,0,0,0|1,0,0]=3 19639 B12R1.382 N#Cc1cccc(c1)SCCF 62a_100011217306_100000189340 [0,2,0,0,0,0|2,0,0]=4 19640 B12R1.382 N#Cc1cccc(c1)SCCO 62a_100000211926_100000189340 [0,2,0,0,0,0|1,0,0]=3 19641 B12R1.382 N#Cc1cccc(n1)NCCO 27a_100000210304_100011934037 [0,2,0,0,0,0|2,0,0]=4 19642 B12R1.382 N#Cc1cccc(n1)SCCO 62a_100000211926_100011934037 [0,2,0,0,0,0|2,0,0]=4 19643 B12R1.382 N#Cc1ccnc(c1)NCCO 27a_100000210304_100011291639 [0,2,0,0,0,0|2,0,0]=4 19644 B12R1.382 N#Cc1ccnc(c1)SCCO 62a_100000211926_100011291639 [0,2,0,0,0,0|2,0,0]=4 19645 B12R1.382 N#Cc1cncc(c1)OCCO 34a_100012002025_100000211926 [0,2,0,0,0,0|2,0,0]=4 19646 B12R1.382 N#Cc1cncc(c1)OCCO 7a_100012002025_100000211926 [0,2,0,0,0,0|2,0,0]=4 19647 B12R1.382 N#Cc1cncc(c1)SCCO 62a_100000211926_100000686085 [0,2,0,0,0,0|2,0,0]=4 19648 B12R1.382 NCc1cc(ccn1)SCCO 62a_100000085674_100000211926 [0,2,0,0,0,0|2,0,0]=4 19649 B12R1.382 NCc1cc(ccn1)SCCO 62a_100000211926_100000085674 [0,2,0,0,0,0|2,0,0]=4 19650 B12R1.382 NCc1cccc(c1)COCF 34a_100011269909_100015361967 [0,2,0,0,0,0|2,0,0]=4 19651 B12R1.382 NCc1cccc(c1)OCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|2,0,0]=4 19652 B12R1.382 NCc1cccc(c1)OCCO 34a_100000743036_100000211926 [0,2,0,0,0,0|1,0,0]=3 19653 B12R1.382 NCc1cccc(c1)SCCF 62a_100000106179_100011217306 [0,2,0,0,0,0|2,0,0]=4 19654 B12R1.382 NCc1cccc(c1)SCCF 62a_100011217306_100000106179 [0,2,0,0,0,0|2,0,0]=4 19655 B12R1.382 NCc1cccc(c1)SCCO 62a_100000106179_100000211926 [0,2,0,0,0,0|1,0,0]=3 19656 B12R1.382 NCc1cccc(c1)SCCO 62a_100000211926_100000106179 [0,2,0,0,0,0|1,0,0]=3 19657 B12R1.382 NCc1cccc(n1)SCCO 62a_100000211926_100016990191 [0,2,0,0,0,0|2,0,0]=4 19658 B12R1.382 NCc1cccc(n1)SCCO 62a_100016990191_100000211926 [0,2,0,0,0,0|2,0,0]=4 19659 B12R1.382 NCc1ccnc(c1)OCCO 34a_100000748557_100000211926 [0,2,0,0,0,0|2,0,0]=4 19660 B12R1.382 NCc1ccnc(c1)SCCO 62a_100000211926_100025757509 [0,2,0,0,0,0|2,0,0]=4 19661 B12R1.382 NCc1ccnc(c1)SCCO 62a_100025757509_100000211926 [0,2,0,0,0,0|2,0,0]=4 19662 B12R1.382 NCc1cncc(c1)SCCO 62a_100000211926_100011249555 [0,2,0,0,0,0|2,0,0]=4 19663 B12R1.382 NCc1cncc(c1)SCCO 62a_100011249555_100000211926 [0,2,0,0,0,0|2,0,0]=4 19664 B12R1.382 NNc1cc(ccn1)SCCO 62a_100000211926_100000764631 [0,2,0,0,0,0|2,0,0]=4 19665 B12R1.382 NNc1cc(ccn1)SCCO 62a_100000764631_100000211926 [0,2,0,0,0,0|2,0,0]=4 19666 B12R1.382 NNc1cccc(c1)SCCF 62a_100000217339_100011217306 [0,2,0,0,0,0|2,0,0]=4 19667 B12R1.382 NNc1cccc(c1)SCCF 62a_100011217306_100000217339 [0,2,0,0,0,0|2,0,0]=4 19668 B12R1.382 NNc1cccc(c1)SCCO 62a_100000211926_100000217339 [0,2,0,0,0,0|1,0,0]=3 19669 B12R1.382 NNc1cccc(c1)SCCO 62a_100000217339_100000211926 [0,2,0,0,0,0|1,0,0]=3 19670 B12R1.382 NNc1cccc(n1)SCCO 62a_100000211926_100009817029 [0,2,0,0,0,0|2,0,0]=4 19671 B12R1.382 NNc1cccc(n1)SCCO 62a_100009817029_100000211926 [0,2,0,0,0,0|2,0,0]=4 19672 B12R1.382 NNc1ccnc(c1)SCCO 62a_100000089018_100000211926 [0,2,0,0,0,0|2,0,0]=4 19673 B12R1.382 NNc1ccnc(c1)SCCO 62a_100000211926_100000089018 [0,2,0,0,0,0|2,0,0]=4 19674 B12R1.382 NNc1cncc(c1)SCCO 62a_100000211926_100000727789 [0,2,0,0,0,0|2,0,0]=4 19675 B12R1.382 NNc1cncc(c1)SCCO 62a_100000727789_100000211926 [0,2,0,0,0,0|2,0,0]=4 19676 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100000211926_100011998288 [0,2,0,0,0,0|2,0,0]=4 19677 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100011998288_100000211926 [0,2,0,0,0,0|2,0,0]=4 19678 B12R1.382 O=Cc1cccc(c1)CSCF 62a_100009816774_100015361967 [0,2,0,0,0,0|2,0,0]=4 19679 B12R1.382 O=Cc1cccc(c1)CSCF 62a_100015361967_100009816774 [0,2,0,0,0,0|2,0,0]=4 19680 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100000014684_100011217306 [0,2,0,0,0,0|2,0,0]=4 19681 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100011217306_100000014684 [0,2,0,0,0,0|2,0,0]=4 19682 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000014684_100000211926 [0,2,0,0,0,0|1,0,0]=3 19683 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000211926_100000014684 [0,2,0,0,0,0|1,0,0]=3 19684 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000211926_100000688028 [0,2,0,0,0,0|2,0,0]=4 19685 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000688028_100000211926 [0,2,0,0,0,0|2,0,0]=4 19686 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100000211926_100011290808 [0,2,0,0,0,0|2,0,0]=4 19687 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100011290808_100000211926 [0,2,0,0,0,0|2,0,0]=4 19688 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000211926_100000687066 [0,2,0,0,0,0|2,0,0]=4 19689 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000687066_100000211926 [0,2,0,0,0,0|2,0,0]=4 19690 B12R1.382 OCCNc1cccc(c1)CF 2230a_100000126320_100000211926 [0,2,0,0,0,0|1,0,0]=3 19691 B12R1.382 OCCNc1cccc(c1)CF 34a_100000126320_100000211926 [0,2,0,0,0,0|1,0,0]=3 19692 B12R1.382 OCCNc1cccc(c1)CF 7a_100000126320_100000211926 [0,2,0,0,0,0|1,0,0]=3 19693 B12R1.382 OCCNc1cccc(c1)CO 2230a_100000211919_100000211926 [0,2,0,0,0,0|1,0,0]=3 19694 B12R1.382 OCCNc1cccc(c1)CO 34a_100000211919_100000211926 [0,2,0,0,0,0|1,0,0]=3 19695 B12R1.382 OCCNc1ccnc(c1)CO 27a_100000210304_100000748867 [0,2,0,0,0,0|2,0,0]=4 19696 B12R1.382 OCCOc1cccc(c1)CBr 34a_100011660834_100000211926 [0,2,0,0,0,0|1,0,0]=3 19697 B12R1.382 OCCOc1cccc(c1)CBr 7a_100011660834_100000211926 [0,2,0,0,0,0|1,0,0]=3 19698 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [0,2,0,0,0,0|1,0,0]=3 19699 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [0,2,0,0,0,0|1,0,0]=3 19700 B12R1.382 OCCOc1cccc(c1)CO 34a_100011214949_100000211926 [0,2,0,0,0,0|1,0,0]=3 19701 B12R1.382 OCCOc1cccc(c1)CO 7a_100011214949_100000211926 [0,2,0,0,0,0|1,0,0]=3 19702 B12R1.382 OCCSc1cc(ccn1)CO 62a_100000211926_100009814636 [0,2,0,0,0,0|2,0,0]=4 19703 B12R1.382 OCCSc1cc(ccn1)CO 62a_100009814636_100000211926 [0,2,0,0,0,0|2,0,0]=4 19704 B12R1.382 OCCSc1cccc(c1)CF 62a_100000211926_100010878472 [0,2,0,0,0,0|1,0,0]=3 19705 B12R1.382 OCCSc1cccc(c1)CF 62a_100010878472_100000211926 [0,2,0,0,0,0|1,0,0]=3 19706 B12R1.382 OCCSc1cccc(c1)CO 62a_100000211926_100000687537 [0,2,0,0,0,0|1,0,0]=3 19707 B12R1.382 OCCSc1cccc(c1)CO 62a_100000687537_100000211926 [0,2,0,0,0,0|1,0,0]=3 19708 B12R1.382 OCCSc1cccc(n1)CO 62a_100000211926_100000694195 [0,2,0,0,0,0|2,0,0]=4 19709 B12R1.382 OCCSc1cccc(n1)CO 62a_100000694195_100000211926 [0,2,0,0,0,0|2,0,0]=4 19710 B12R1.382 OCCSc1ccnc(c1)CO 62a_100000211926_100000748867 [0,2,0,0,0,0|2,0,0]=4 19711 B12R1.382 OCCSc1ccnc(c1)CO 62a_100000748867_100000211926 [0,2,0,0,0,0|2,0,0]=4 19712 B12R1.382 OCCSc1cncc(c1)CO 62a_100000211926_100011259137 [0,2,0,0,0,0|2,0,0]=4 19713 B12R1.382 OCCSc1cncc(c1)CO 62a_100011259137_100000211926 [0,2,0,0,0,0|2,0,0]=4 19714 B12R1.382 OCc1cccc(c1)CNCF 34a_100011269909_100015361967 [0,2,0,0,0,0|2,0,0]=4 19715 B12R1.382 OCc1cccc(c1)CSCF 62a_100010188025_100015361967 [0,2,0,0,0,0|2,0,0]=4 19716 B12R1.382 OCc1cccc(c1)CSCF 62a_100015361967_100010188025 [0,2,0,0,0,0|2,0,0]=4 19717 B12R1.382 OCc1cccc(c1)NCCF 2230a_100000211919_100011217306 [0,2,0,0,0,0|2,0,0]=4 19718 B12R1.382 OCc1cccc(c1)NCCF 34a_100000211919_100011217306 [0,2,0,0,0,0|2,0,0]=4 19719 B12R1.382 OCc1cccc(c1)OCCF 34a_100011214949_100011217306 [0,2,0,0,0,0|2,0,0]=4 19720 B12R1.382 OCc1cccc(c1)OCCF 7a_100011214949_100011217306 [0,2,0,0,0,0|2,0,0]=4 19721 B12R1.382 OCc1cccc(c1)SCCF 62a_100000687537_100011217306 [0,2,0,0,0,0|2,0,0]=4 19722 B12R1.382 OCc1cccc(c1)SCCF 62a_100011217306_100000687537 [0,2,0,0,0,0|2,0,0]=4 19723 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 2230a_200000698965_200025704644 [0,2,0,0,0,0|0,0,0]=2 19724 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 34a_200000698965_200025704644 [0,2,0,0,0,0|0,0,0]=2 19725 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 7a_200000698965_200025704644 [0,2,0,0,0,0|0,0,0]=2 19726 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [0,2,0,0,0,0|1,0,0]=3 19727 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [0,2,0,0,0,0|1,0,0]=3 19728 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 34a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 19729 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 7a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 19730 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [0,2,0,0,0,0|0,0,0]=2 19731 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [0,2,0,0,0,0|0,0,0]=2 19732 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_100009814051_200025704644 [0,2,0,0,0,0|0,0,2]=4 19733 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_200025704644_100009814051 [0,2,0,0,0,0|0,0,2]=4 19734 B12R1.382 [13CH3]Sc1cccc(c1)CCC#N 62a_100011219771_200025704644 [0,2,0,0,0,0|1,0,1]=4 19735 B12R1.382 [13CH3]Sc1cccc(c1)CCC#N 62a_200025704644_100011219771 [0,2,0,0,0,0|1,0,1]=4 19736 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 19737 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_200025704644_100000753791 [0,2,0,0,0,0|1,0,0]=3 19738 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_100011709248_200025704644 [0,2,0,0,0,0|0,0,0]=2 19739 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_200025704644_100011709248 [0,2,0,0,0,0|0,0,0]=2 19740 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_100000743521_200025704644 [0,2,0,0,0,0|2,0,0]=4 19741 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_200025704644_100000743521 [0,2,0,0,0,0|2,0,0]=4 19742 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [0,2,0,0,0,0|1,0,0]=3 19743 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [0,2,0,0,0,0|1,0,0]=3 19744 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200011756134_200025704644 [0,2,0,0,0,0|1,0,0]=3 19745 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200025704644_200011756134 [0,2,0,0,0,0|1,0,0]=3 19746 B12R1.382 [13CH3]Sc1cccc(n1)NCCO 62a_200011880208_200025704644 [0,2,0,0,0,0|2,0,0]=4 19747 B12R1.382 [13CH3]Sc1cccc(n1)NCCO 62a_200025704644_200011880208 [0,2,0,0,0,0|2,0,0]=4 19748 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,2,0,0,0,0|1,0,0]=3 19749 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,2,0,0,0,0|2,0,0]=4 19750 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,2,0,0,0,0|2,0,0]=4 19751 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,2,0,0,0,0|1,0,0]=3 19752 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [0,2,0,0,0,0|1,0,0]=3 19753 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,2,0,0,0,0|1,0,0]=3 19754 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,2,0,0,0,0|1,0,0]=3 19755 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [0,2,0,0,0,0|2,0,0]=4 19756 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [0,2,0,0,0,0|2,0,0]=4 19757 B12R1.8 C#CCCCOc1ccncc1 34a_100000212176_100000695029 [0,2,0,0,0,0|2,0,0]=4 19758 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [0,2,0,0,0,0|1,0,0]=3 19759 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [0,2,0,0,0,0|1,0,0]=3 19760 B12R1.8 C#CCCCSc1ccccn1 62a_100011215417_100011216584 [0,2,0,0,0,0|2,0,0]=4 19761 B12R1.8 C#CCCCSc1ccccn1 62a_100011216584_100011215417 [0,2,0,0,0,0|2,0,0]=4 19762 B12R1.8 C#CCCCSc1cccnc1 62a_100000210063_100011215417 [0,2,0,0,0,0|2,0,0]=4 19763 B12R1.8 C#CCCCSc1cccnc1 62a_100011215417_100000210063 [0,2,0,0,0,0|2,0,0]=4 19764 B12R1.8 C#CCCCSc1ccncc1 62a_100000728582_100011215417 [0,2,0,0,0,0|2,0,0]=4 19765 B12R1.8 C#CCCCSc1ccncc1 62a_100011215417_100000728582 [0,2,0,0,0,0|2,0,0]=4 19766 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,2,0,0,0,0|1,0,0]=3 19767 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,2,0,0,0,0|1,0,0]=3 19768 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,2,0,0,0,0|1,0,0]=3 19769 B12R1.8 C#CCCNCc1ccccn1 34a_100000755551_100000721315 [0,2,0,0,0,0|2,0,0]=4 19770 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [0,2,0,0,0,0|2,0,0]=4 19771 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,2,0,0,0,0|1,0,0]=3 19772 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,2,0,0,0,0|1,0,0]=3 19773 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,2,0,0,0,0|1,0,0]=3 19774 B12R1.8 C#CCCOCc1ccccn1 34a_100011215631_100000721315 [0,2,0,0,0,0|2,0,0]=4 19775 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [0,2,0,0,0,0|2,0,0]=4 19776 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [0,2,0,0,0,0|1,0,0]=3 19777 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [0,2,0,0,0,0|1,0,0]=3 19778 B12R1.8 C#CCCSCc1ccccn1 62a_100000688953_100000721315 [0,2,0,0,0,0|2,0,0]=4 19779 B12R1.8 C#CCCSCc1ccccn1 62a_100000721315_100000688953 [0,2,0,0,0,0|2,0,0]=4 19780 B12R1.8 C#CCCSCc1cccnc1 62a_100000688953_100000741622 [0,2,0,0,0,0|2,0,0]=4 19781 B12R1.8 C#CCCSCc1cccnc1 62a_100000741622_100000688953 [0,2,0,0,0,0|2,0,0]=4 19782 B12R1.8 C#CCCSCc1ccncc1 62a_100000688953_100015193705 [0,2,0,0,0,0|2,0,0]=4 19783 B12R1.8 C#CCCSCc1ccncc1 62a_100015193705_100000688953 [0,2,0,0,0,0|2,0,0]=4 19784 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,2,0,0,0,0|1,0,0]=3 19785 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,2,0,0,0,0|1,0,0]=3 19786 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,2,0,0,0,0|1,0,0]=3 19787 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,2,0,0,0,0|2,0,0]=4 19788 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,2,0,0,0,0|1,0,0]=3 19789 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,2,0,0,0,0|1,0,0]=3 19790 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,2,0,0,0,0|1,0,0]=3 19791 B12R1.8 C#CCOCCc1ccccn1 34a_100000210271_100000184674 [0,2,0,0,0,0|2,0,0]=4 19792 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [0,2,0,0,0,0|2,0,0]=4 19793 B12R1.8 C#CCOCCc1ccncc1 34a_100011216225_100000184674 [0,2,0,0,0,0|2,0,0]=4 19794 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [0,2,0,0,0,0|1,0,0]=3 19795 B12R1.8 C#CCSCCc1ccccn1 62a_100000038162_100015183660 [0,2,0,0,0,0|2,0,0]=4 19796 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [0,2,0,0,0,0|2,0,0]=4 19797 B12R1.8 C#CCSCCc1ccncc1 62a_100000038162_100000723409 [0,2,0,0,0,0|2,0,0]=4 19798 B12R1.8 C#CCSCSc1ccccc1 62a_100000038162_100011218342 [0,2,0,0,0,0|1,0,1]=4 19799 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|1,0,1]=4 19800 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|1,0,1]=4 19801 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|1,0,1]=4 19802 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|1,0,1]=4 19803 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|1,0,1]=4 19804 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|1,0,1]=4 19805 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,2,0,0,0,0|1,0,0]=3 19806 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,2,0,0,0,0|1,0,0]=3 19807 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,2,0,0,0,0|1,0,0]=3 19808 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,2,0,0,0,0|2,0,0]=4 19809 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,2,0,0,0,0|2,0,0]=4 19810 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [0,2,0,0,0,0|2,0,0]=4 19811 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,2,0,0,0,0|1,0,0]=3 19812 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,2,0,0,0,0|1,0,0]=3 19813 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [0,2,0,0,0,0|2,0,0]=4 19814 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [0,2,0,0,0,0|2,0,0]=4 19815 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,2,0,0,0,0|2,0,0]=4 19816 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,2,0,0,0,0|2,0,0]=4 19817 B12R1.8 C=CCCCSc1ccncc1 62a_100000728582_100000757094 [0,2,0,0,0,0|2,0,0]=4 19818 B12R1.8 C=CCCCSc1ccncc1 62a_100011713584_100000728582 [0,2,0,0,0,0|2,0,0]=4 19819 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 19820 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,2,0,0,0,0|1,0,0]=3 19821 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 19822 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,2,0,0,0,0|1,0,0]=3 19823 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,2,0,0,0,0|1,0,0]=3 19824 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 19825 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,2,0,0,0,0|2,0,0]=4 19826 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,2,0,0,0,0|2,0,0]=4 19827 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 19828 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,2,0,0,0,0|2,0,0]=4 19829 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,2,0,0,0,0|2,0,0]=4 19830 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [0,2,0,0,0,0|2,0,0]=4 19831 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [0,2,0,0,0,0|2,0,0]=4 19832 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,2,0,0,0,0|1,0,0]=3 19833 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,2,0,0,0,0|1,0,0]=3 19834 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,2,0,0,0,0|1,0,0]=3 19835 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,2,0,0,0,0|2,0,0]=4 19836 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,2,0,0,0,0|2,0,0]=4 19837 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,2,0,0,0,0|1,0,0]=3 19838 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,2,0,0,0,0|1,0,0]=3 19839 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [0,2,0,0,0,0|2,0,0]=4 19840 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [0,2,0,0,0,0|2,0,0]=4 19841 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,2,0,0,0,0|2,0,0]=4 19842 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,2,0,0,0,0|2,0,0]=4 19843 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [0,2,0,0,0,0|2,0,0]=4 19844 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [0,2,0,0,0,0|2,0,0]=4 19845 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,2,0,0,0,0|1,0,0]=3 19846 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,2,0,0,0,0|1,0,0]=3 19847 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,2,0,0,0,0|1,0,0]=3 19848 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,2,0,0,0,0|2,0,0]=4 19849 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,2,0,0,0,0|2,0,0]=4 19850 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,2,0,0,0,0|2,0,0]=4 19851 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,2,0,0,0,0|2,0,0]=4 19852 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,2,0,0,0,0|1,0,1]=4 19853 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,2,0,0,0,0|1,0,0]=3 19854 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,2,0,0,0,0|1,0,0]=3 19855 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,2,0,0,0,0|1,0,0]=3 19856 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [0,2,0,0,0,0|2,0,0]=4 19857 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,2,0,0,0,0|2,0,0]=4 19858 B12R1.8 C=CCOCCc1ccncc1 34a_100011216225_100015514636 [0,2,0,0,0,0|2,0,0]=4 19859 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,2,0,0,0,0|1,0,0]=3 19860 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,2,0,0,0,0|1,0,0]=3 19861 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [0,2,0,0,0,0|2,0,0]=4 19862 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [0,2,0,0,0,0|2,0,0]=4 19863 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,2,0,0,0,0|2,0,0]=4 19864 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,2,0,0,0,0|2,0,0]=4 19865 B12R1.8 C=CCSCCc1ccncc1 62a_100000210623_100000723409 [0,2,0,0,0,0|2,0,0]=4 19866 B12R1.8 C=CCSCCc1ccncc1 62a_100000723409_100000210623 [0,2,0,0,0,0|2,0,0]=4 19867 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,2,0,0,0,0|1,0,1]=4 19868 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,2,0,0,0,0|1,0,1]=4 19869 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,2,0,0,0,0|1,0,0]=3 19870 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,2,0,0,0,0|1,0,0]=3 19871 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,2,0,0,0,0|1,0,0]=3 19872 B12R1.8 C=COCCOc1cccnc1 34a_100000210849_100000039644 [0,2,0,0,0,0|2,0,0]=4 19873 B12R1.8 C=COCCOc1cccnc1 7a_100000210849_100000039644 [0,2,0,0,0,0|2,0,0]=4 19874 B12R1.8 C=COCCOc1ccncc1 34a_100000212176_100000039644 [0,2,0,0,0,0|2,0,0]=4 19875 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,2,0,0,0,0|1,0,0]=3 19876 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,2,0,0,0,0|1,0,0]=3 19877 B12R1.8 C=COCCSc1ccccn1 62a_100000039644_100011216584 [0,2,0,0,0,0|2,0,0]=4 19878 B12R1.8 C=COCCSc1ccccn1 62a_100011216584_100000039644 [0,2,0,0,0,0|2,0,0]=4 19879 B12R1.8 C=COCCSc1cccnc1 62a_100000039644_100000210063 [0,2,0,0,0,0|2,0,0]=4 19880 B12R1.8 C=COCCSc1cccnc1 62a_100000210063_100000039644 [0,2,0,0,0,0|2,0,0]=4 19881 B12R1.8 C=COCCSc1ccncc1 62a_100000039644_100000728582 [0,2,0,0,0,0|2,0,0]=4 19882 B12R1.8 C=COCCSc1ccncc1 62a_100000728582_100000039644 [0,2,0,0,0,0|2,0,0]=4 19883 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,2,0,0,0,0|1,0,1]=4 19884 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,2,0,0,0,0|1,0,1]=4 19885 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,2,0,0,0,0|1,0,1]=4 19886 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,2,0,0,0,0|1,0,1]=4 19887 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,2,0,0,0,0|1,0,1]=4 19888 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,2,0,0,0,0|1,0,1]=4 19889 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,2,0,0,0,0|1,0,1]=4 19890 B12R1.8 CC#CCSCc1ccccc1 62a_100000211182_100000748600 [0,2,0,0,0,0|1,0,1]=4 19891 B12R1.8 CC#CCSCc1ccccc1 62a_100000748600_100015291786 [0,2,0,0,0,0|1,0,1]=4 19892 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,2,0,0,0,0|1,0,1]=4 19893 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,2,0,0,0,0|1,0,1]=4 19894 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,2,0,0,0,0|1,0,1]=4 19895 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,2,0,0,0,0|1,0,1]=4 19896 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,2,0,0,0,0|1,0,1]=4 19897 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|1,0,1]=4 19898 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|1,0,1]=4 19899 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|1,0,1]=4 19900 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|1,0,1]=4 19901 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|1,0,1]=4 19902 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|1,0,1]=4 19903 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,2,0,0,0,0|1,0,1]=4 19904 B12R1.8 CCC#CCNc1ccccc1 34a_100000106764_100009813939 [0,2,0,0,0,0|1,0,1]=4 19905 B12R1.8 CCC#CCOc1ccccc1 34a_100000210340_100009813939 [0,2,0,0,0,0|1,0,1]=4 19906 B12R1.8 CCC#CCOc1ccccc1 7a_100000210340_100009813939 [0,2,0,0,0,0|1,0,1]=4 19907 B12R1.8 CCC#CCSc1ccccc1 62a_100000719477_100009813939 [0,2,0,0,0,0|1,0,1]=4 19908 B12R1.8 CCC#CCSc1ccccc1 62a_100009813939_100000041952 [0,2,0,0,0,0|1,0,1]=4 19909 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,2,0,0,0,0|1,0,1]=4 19910 B12R1.8 CCCC=NNc1ccccc1 4a_100015195140_100000185831 [0,2,0,0,0,0|1,0,1]=4 19911 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,2,0,0,0,0|1,0,0]=3 19912 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,2,0,0,0,0|2,0,0]=4 19913 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,2,0,0,0,0|2,0,0]=4 19914 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [0,2,0,0,0,0|2,0,0]=4 19915 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,2,0,0,0,0|1,0,0]=3 19916 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,2,0,0,0,0|1,0,0]=3 19917 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,2,0,0,0,0|1,0,0]=3 19918 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,2,0,0,0,0|2,0,0]=4 19919 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,2,0,0,0,0|2,0,0]=4 19920 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,2,0,0,0,0|2,0,0]=4 19921 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,2,0,0,0,0|1,0,0]=3 19922 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,2,0,0,0,0|1,0,0]=3 19923 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,2,0,0,0,0|2,0,0]=4 19924 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,2,0,0,0,0|2,0,0]=4 19925 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,2,0,0,0,0|2,0,0]=4 19926 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,2,0,0,0,0|2,0,0]=4 19927 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [0,2,0,0,0,0|2,0,0]=4 19928 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [0,2,0,0,0,0|2,0,0]=4 19929 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,2,0,0,0,0|1,0,0]=3 19930 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,2,0,0,0,0|1,0,0]=3 19931 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,2,0,0,0,0|1,0,0]=3 19932 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,2,0,0,0,0|1,0,0]=3 19933 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,2,0,0,0,0|1,0,0]=3 19934 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,2,0,0,0,0|1,0,0]=3 19935 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,2,0,0,0,0|2,0,0]=4 19936 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,2,0,0,0,0|2,0,0]=4 19937 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,2,0,0,0,0|2,0,0]=4 19938 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,2,0,0,0,0|2,0,0]=4 19939 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,2,0,0,0,0|2,0,0]=4 19940 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,2,0,0,0,0|2,0,0]=4 19941 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,2,0,0,0,0|2,0,0]=4 19942 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,2,0,0,0,0|2,0,0]=4 19943 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,2,0,0,0,0|2,0,0]=4 19944 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,2,0,0,0,0|2,0,0]=4 19945 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,2,0,0,0,0|2,0,0]=4 19946 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,2,0,0,0,0|1,0,0]=3 19947 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,2,0,0,0,0|1,0,0]=3 19948 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,2,0,0,0,0|1,0,0]=3 19949 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,2,0,0,0,0|1,0,0]=3 19950 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,2,0,0,0,0|2,0,0]=4 19951 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,2,0,0,0,0|2,0,0]=4 19952 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,2,0,0,0,0|2,0,0]=4 19953 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,2,0,0,0,0|2,0,0]=4 19954 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,2,0,0,0,0|2,0,0]=4 19955 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,2,0,0,0,0|1,0,0]=3 19956 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,2,0,0,0,0|1,0,0]=3 19957 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,2,0,0,0,0|2,0,0]=4 19958 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,2,0,0,0,0|2,0,0]=4 19959 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,2,0,0,0,0|2,0,0]=4 19960 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,2,0,0,0,0|2,0,0]=4 19961 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,2,0,0,0,0|2,0,0]=4 19962 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,2,0,0,0,0|2,0,0]=4 19963 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,2,0,0,0,0|1,0,0]=3 19964 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,2,0,0,0,0|1,0,0]=3 19965 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,2,0,0,0,0|2,0,0]=4 19966 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [0,2,0,0,0,0|1,0,1]=4 19967 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,2,0,0,0,0|1,0,0]=3 19968 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,2,0,0,0,0|1,0,0]=3 19969 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,2,0,0,0,0|1,0,0]=3 19970 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,2,0,0,0,0|2,0,0]=4 19971 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,2,0,0,0,0|2,0,0]=4 19972 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,2,0,0,0,0|2,0,0]=4 19973 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,2,0,0,0,0|1,0,0]=3 19974 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,2,0,0,0,0|1,0,0]=3 19975 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,2,0,0,0,0|2,0,0]=4 19976 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,2,0,0,0,0|2,0,0]=4 19977 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,2,0,0,0,0|2,0,0]=4 19978 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,2,0,0,0,0|2,0,0]=4 19979 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [0,2,0,0,0,0|2,0,0]=4 19980 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [0,2,0,0,0,0|2,0,0]=4 19981 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,2,0,0,0,0|1,0,0]=3 19982 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,2,0,0,0,0|1,0,0]=3 19983 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,2,0,0,0,0|1,0,1]=4 19984 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 19985 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 19986 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,2,0,0,0,0|1,0,1]=4 19987 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,2,0,0,0,0|1,0,1]=4 19988 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,2,0,0,0,0|1,0,1]=4 19989 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,2,0,0,0,0|1,0,0]=3 19990 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,2,0,0,0,0|1,0,0]=3 19991 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,2,0,0,0,0|1,0,0]=3 19992 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,2,0,0,0,0|2,0,0]=4 19993 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,2,0,0,0,0|2,0,0]=4 19994 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,2,0,0,0,0|2,0,0]=4 19995 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 19996 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,2,0,0,0,0|1,0,0]=3 19997 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,2,0,0,0,0|1,0,0]=3 19998 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 19999 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,2,0,0,0,0|2,0,0]=4 20000 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,2,0,0,0,0|2,0,0]=4 20001 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,2,0,0,0,0|1,0,0]=3 20002 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,2,0,0,0,0|1,0,0]=3 20003 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,2,0,0,0,0|1,0,0]=3 20004 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,2,0,0,0,0|1,0,0]=3 20005 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,2,0,0,0,0|1,0,1]=4 20006 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,2,0,0,0,0|0,0,2]=4 20007 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,2,0,0,0,0|0,0,2]=4 20008 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [0,2,0,0,0,0|0,0,2]=4 20009 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [0,2,0,0,0,0|0,0,2]=4 20010 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [0,2,0,0,0,0|0,0,2]=4 20011 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,2,0,0,0,0|0,0,2]=4 20012 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,2,0,0,0,0|0,0,0]=2 20013 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,2,0,0,0,0|0,0,0]=2 20014 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,2,0,0,0,0|0,0,0]=2 20015 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,2,0,0,0,0|1,0,0]=3 20016 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,2,0,0,0,0|1,0,0]=3 20017 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,2,0,0,0,0|1,0,0]=3 20018 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,2,0,0,0,0|1,0,0]=3 20019 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,2,0,0,0,0|1,0,0]=3 20020 B12R1.8 CCOCCNc1ccncc1 34a_200011243140_100000210202 [0,2,0,0,0,0|2,0,0]=4 20021 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,2,0,0,0,0|1,0,0]=3 20022 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,2,0,0,0,0|1,0,0]=3 20023 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,2,0,0,0,0|1,0,0]=3 20024 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,2,0,0,0,0|1,0,0]=3 20025 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,2,0,0,0,0|1,0,0]=3 20026 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,2,0,0,0,0|2,0,0]=4 20027 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,2,0,0,0,0|2,0,0]=4 20028 B12R1.8 CCOCCOc1ccncc1 34a_100000212176_100000210147 [0,2,0,0,0,0|2,0,0]=4 20029 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,2,0,0,0,0|1,0,0]=3 20030 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,2,0,0,0,0|1,0,0]=3 20031 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,2,0,0,0,0|1,0,0]=3 20032 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,2,0,0,0,0|1,0,0]=3 20033 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,2,0,0,0,0|2,0,0]=4 20034 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,2,0,0,0,0|2,0,0]=4 20035 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,2,0,0,0,0|2,0,0]=4 20036 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,2,0,0,0,0|2,0,0]=4 20037 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,2,0,0,0,0|2,0,0]=4 20038 B12R1.8 CCOCCSc1ccncc1 62a_100000210147_100000728582 [0,2,0,0,0,0|2,0,0]=4 20039 B12R1.8 CCOCCSc1ccncc1 62a_100000728582_100011215890 [0,2,0,0,0,0|2,0,0]=4 20040 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,2,0,0,0,0|1,0,0]=3 20041 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,2,0,0,0,0|1,0,0]=3 20042 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,2,0,0,0,0|1,0,0]=3 20043 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,2,0,0,0,0|1,0,0]=3 20044 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,2,0,0,0,0|2,0,0]=4 20045 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,2,0,0,0,0|2,0,0]=4 20046 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,2,0,0,0,0|2,0,0]=4 20047 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,2,0,0,0,0|2,0,0]=4 20048 B12R1.8 CCOCSCc1ccncc1 62a_100000739092_100015193705 [0,2,0,0,0,0|2,0,0]=4 20049 B12R1.8 CCOCSCc1ccncc1 62a_100015193705_100000739092 [0,2,0,0,0,0|2,0,0]=4 20050 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,2,0,0,0,0|1,0,1]=4 20051 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,2,0,0,0,0|1,0,1]=4 20052 B12R1.8 CCSCC#Cc1ccccc1 62a_100000210202_100011352542 [0,2,0,0,0,0|1,0,1]=4 20053 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,2,0,0,0,0|0,1,0]=3 20054 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,2,0,0,0,0|0,1,0]=3 20055 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,2,0,0,0,0|1,0,0]=3 20056 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,2,0,0,0,0|1,0,0]=3 20057 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,2,0,0,0,0|1,0,0]=3 20058 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,2,0,0,0,0|1,0,0]=3 20059 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,2,0,0,0,0|1,0,0]=3 20060 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,2,0,0,0,0|2,0,0]=4 20061 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,2,0,0,0,0|2,0,0]=4 20062 B12R1.8 CCSCCOc1ccncc1 34a_100000212176_100000757381 [0,2,0,0,0,0|2,0,0]=4 20063 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,2,0,0,0,0|1,0,0]=3 20064 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,2,0,0,0,0|1,0,0]=3 20065 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,2,0,0,0,0|1,0,0]=3 20066 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,2,0,0,0,0|1,0,0]=3 20067 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,2,0,0,0,0|2,0,0]=4 20068 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,2,0,0,0,0|2,0,0]=4 20069 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,2,0,0,0,0|2,0,0]=4 20070 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,2,0,0,0,0|2,0,0]=4 20071 B12R1.8 CCSCCSc1ccncc1 62a_100000728582_100000757381 [0,2,0,0,0,0|2,0,0]=4 20072 B12R1.8 CCSCCSc1ccncc1 62a_100000757381_100000728582 [0,2,0,0,0,0|2,0,0]=4 20073 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,2,0,0,0,0|1,0,0]=3 20074 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,2,0,0,0,0|1,0,0]=3 20075 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,2,0,0,0,0|1,0,0]=3 20076 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,2,0,0,0,0|1,0,0]=3 20077 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,2,0,0,0,0|1,0,0]=3 20078 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,2,0,0,0,0|1,0,0]=3 20079 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,2,0,0,0,0|1,0,0]=3 20080 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,2,0,0,0,0|1,0,0]=3 20081 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,2,0,0,0,0|1,0,0]=3 20082 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,2,0,0,0,0|2,0,0]=4 20083 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,2,0,0,0,0|2,0,0]=4 20084 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 20085 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 20086 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 20087 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,2,0,0,0,0|1,0,0]=3 20088 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 20089 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,2,0,0,0,0|1,0,0]=3 20090 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,2,0,0,0,0|1,0,0]=3 20091 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,2,0,0,0,0|1,0,0]=3 20092 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,2,0,0,0,0|1,0,0]=3 20093 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 20094 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 20095 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 20096 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,2,0,0,0,0|1,0,0]=3 20097 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 20098 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 20099 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,2,0,0,0,0|1,0,0]=3 20100 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 20101 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,2,0,0,0,0|1,0,0]=3 20102 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 20103 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [0,2,0,0,0,0|0,0,1]=3 20104 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [0,2,0,0,0,0|0,0,1]=3 20105 B12R1.8 COCCC#Cc1ccccn1 34a_200011894334_200000210301 [0,2,0,0,0,0|1,0,1]=4 20106 B12R1.8 COCCC#Cc1cccnc1 34a_200011376248_200000210301 [0,2,0,0,0,0|1,0,1]=4 20107 B12R1.8 COCCC#Cc1ccncc1 34a_100011894394_200000210301 [0,2,0,0,0,0|1,0,1]=4 20108 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,2,0,0,0,0|0,0,0]=2 20109 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,2,0,0,0,0|0,0,0]=2 20110 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,2,0,0,0,0|0,0,0]=2 20111 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,2,0,0,0,0|1,0,0]=3 20112 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,2,0,0,0,0|1,0,0]=3 20113 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,2,0,0,0,0|1,0,0]=3 20114 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,2,0,0,0,0|1,0,0]=3 20115 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,2,0,0,0,0|0,0,0]=2 20116 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|0,0,0]=2 20117 B12R1.8 COCCCNc1cccnn1 27a_100150723488_100016991348 [0,2,0,0,0,0|2,0,0]=4 20118 B12R1.8 COCCCNc1ccncn1 27a_100150723488_100000703185 [0,2,0,0,0,0|2,0,0]=4 20119 B12R1.8 COCCCNc1cnccn1 27a_100150723488_100000211759 [0,2,0,0,0,0|2,0,0]=4 20120 B12R1.8 COCCCNc1ncccn1 27a_100150723488_100000211032 [0,2,0,0,0,0|2,0,0]=4 20121 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,2,0,0,0,0|0,0,0]=2 20122 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,2,0,0,0,0|0,0,0]=2 20123 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,2,0,0,0,0|0,0,0]=2 20124 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,2,0,0,0,0|0,0,0]=2 20125 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,2,0,0,0,0|0,0,0]=2 20126 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,2,0,0,0,0|1,0,0]=3 20127 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,2,0,0,0,0|1,0,0]=3 20128 B12R1.8 COCCCOc1ccncc1 34a_100000212176_100000740836 [0,2,0,0,0,0|1,0,0]=3 20129 B12R1.8 COCCCOc1ccnnc1 34a_100015204005_100000740836 [0,2,0,0,0,0|2,0,0]=4 20130 B12R1.8 COCCCOc1cncnc1 7a_100000754086_100000740836 [0,2,0,0,0,0|2,0,0]=4 20131 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,2,0,0,0,0|0,0,0]=2 20132 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,2,0,0,0,0|0,0,0]=2 20133 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,2,0,0,0,0|0,0,0]=2 20134 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,2,0,0,0,0|1,0,0]=3 20135 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,2,0,0,0,0|1,0,0]=3 20136 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,2,0,0,0,0|1,0,0]=3 20137 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,2,0,0,0,0|1,0,0]=3 20138 B12R1.8 COCCCSc1cccnn1 62a_100000709357_100016991348 [0,2,0,0,0,0|2,0,0]=4 20139 B12R1.8 COCCCSc1cccnn1 62a_100016991348_100000709357 [0,2,0,0,0,0|2,0,0]=4 20140 B12R1.8 COCCCSc1ccncc1 62a_100000709357_100000728582 [0,2,0,0,0,0|1,0,0]=3 20141 B12R1.8 COCCCSc1ccncc1 62a_100000728582_100000709357 [0,2,0,0,0,0|1,0,0]=3 20142 B12R1.8 COCCCSc1ccncn1 62a_100000703185_100000709357 [0,2,0,0,0,0|2,0,0]=4 20143 B12R1.8 COCCCSc1ccncn1 62a_100000709357_100000703185 [0,2,0,0,0,0|2,0,0]=4 20144 B12R1.8 COCCCSc1ccnnc1 62a_100000709357_100000732662 [0,2,0,0,0,0|2,0,0]=4 20145 B12R1.8 COCCCSc1ccnnc1 62a_100000732662_100000709357 [0,2,0,0,0,0|2,0,0]=4 20146 B12R1.8 COCCCSc1cnccn1 62a_100000211759_100000709357 [0,2,0,0,0,0|2,0,0]=4 20147 B12R1.8 COCCCSc1cnccn1 62a_100000709357_100000211759 [0,2,0,0,0,0|2,0,0]=4 20148 B12R1.8 COCCCSc1cncnc1 62a_100000709357_100011206942 [0,2,0,0,0,0|2,0,0]=4 20149 B12R1.8 COCCCSc1cncnc1 62a_100011206942_100000709357 [0,2,0,0,0,0|2,0,0]=4 20150 B12R1.8 COCCCSc1ncccn1 62a_100000211032_100000709357 [0,2,0,0,0,0|2,0,0]=4 20151 B12R1.8 COCCCSc1ncccn1 62a_100000709357_100000211032 [0,2,0,0,0,0|2,0,0]=4 20152 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,2,0,0,0,0|0,0,0]=2 20153 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,2,0,0,0,0|0,0,0]=2 20154 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,2,0,0,0,0|0,0,0]=2 20155 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,2,0,0,0,0|0,0,0]=2 20156 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,2,0,0,0,0|0,0,0]=2 20157 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,2,0,0,0,0|0,0,0]=2 20158 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,2,0,0,0,0|1,0,0]=3 20159 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,2,0,0,0,0|1,0,0]=3 20160 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,2,0,0,0,0|1,0,0]=3 20161 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,2,0,0,0,0|1,0,0]=3 20162 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,2,0,0,0,0|1,0,0]=3 20163 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,2,0,0,0,0|1,0,0]=3 20164 B12R1.8 COCCNCc1cccnn1 2230a_100000209980_100016990269 [0,2,0,0,0,0|2,0,0]=4 20165 B12R1.8 COCCNCc1cccnn1 2230a_100159270163_100011201679 [0,2,0,0,0,0|2,0,0]=4 20166 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,2,0,0,0,0|1,0,0]=3 20167 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,2,0,0,0,0|1,0,0]=3 20168 B12R1.8 COCCNCc1ccnnc1 270004a_100000209980_100011934578 [0,2,0,0,0,0|2,0,0]=4 20169 B12R1.8 COCCNCc1cnccn1 2230a_100000209980_100016995436 [0,2,0,0,0,0|2,0,0]=4 20170 B12R1.8 COCCNCc1cnccn1 270004a_100000209980_100000749867 [0,2,0,0,0,0|2,0,0]=4 20171 B12R1.8 COCCNCc1cncnc1 2230a_100000209980_100015196519 [0,2,0,0,0,0|2,0,0]=4 20172 B12R1.8 COCCNCc1cncnc1 2230a_100011243677_100011201679 [0,2,0,0,0,0|2,0,0]=4 20173 B12R1.8 COCCNCc1cncnc1 270004a_100000209980_100000749868 [0,2,0,0,0,0|2,0,0]=4 20174 B12R1.8 COCCNCc1ncccn1 2230a_100000209980_100000703007 [0,2,0,0,0,0|2,0,0]=4 20175 B12R1.8 COCCNCc1ncccn1 270004a_100000209980_100011532527 [0,2,0,0,0,0|2,0,0]=4 20176 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,2,0,0,0,0|0,0,0]=2 20177 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,2,0,0,0,0|0,0,0]=2 20178 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,2,0,0,0,0|0,0,0]=2 20179 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,2,0,0,0,0|0,0,0]=2 20180 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,2,0,0,0,0|0,0,0]=2 20181 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,2,0,0,0,0|0,0,0]=2 20182 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,2,0,0,0,0|1,0,0]=3 20183 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,2,0,0,0,0|1,0,0]=3 20184 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,2,0,0,0,0|2,0,0]=4 20185 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,2,0,0,0,0|2,0,0]=4 20186 B12R1.8 COCCOCc1cncnc1 34a_100000210237_100015196519 [0,2,0,0,0,0|2,0,0]=4 20187 B12R1.8 COCCOCc1ncccn1 34a_100000210237_100000703007 [0,2,0,0,0,0|2,0,0]=4 20188 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,2,0,0,0,0|0,0,0]=2 20189 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,2,0,0,0,0|0,0,0]=2 20190 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,2,0,0,0,0|0,0,0]=2 20191 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,2,0,0,0,0|0,0,0]=2 20192 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,2,0,0,0,0|0,0,0]=2 20193 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,2,0,0,0,0|1,0,0]=3 20194 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,2,0,0,0,0|1,0,0]=3 20195 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,2,0,0,0,0|1,0,0]=3 20196 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,2,0,0,0,0|1,0,0]=3 20197 B12R1.8 COCCSCc1cccnn1 62a_100000233755_100016990269 [0,2,0,0,0,0|2,0,0]=4 20198 B12R1.8 COCCSCc1cccnn1 62a_100016990269_100000233755 [0,2,0,0,0,0|2,0,0]=4 20199 B12R1.8 COCCSCc1ccncc1 62a_100000233755_100015193705 [0,2,0,0,0,0|1,0,0]=3 20200 B12R1.8 COCCSCc1ccncc1 62a_100015193705_100000233755 [0,2,0,0,0,0|1,0,0]=3 20201 B12R1.8 COCCSCc1cnccn1 62a_100000233755_100016995436 [0,2,0,0,0,0|2,0,0]=4 20202 B12R1.8 COCCSCc1cnccn1 62a_100016995436_100000233755 [0,2,0,0,0,0|2,0,0]=4 20203 B12R1.8 COCCSCc1cncnc1 62a_100000233755_100015196519 [0,2,0,0,0,0|2,0,0]=4 20204 B12R1.8 COCCSCc1cncnc1 62a_100015196519_100000233755 [0,2,0,0,0,0|2,0,0]=4 20205 B12R1.8 COCCSCc1ncccn1 62a_100000233755_100000703007 [0,2,0,0,0,0|2,0,0]=4 20206 B12R1.8 COCCSCc1ncccn1 62a_100000703007_100000233755 [0,2,0,0,0,0|2,0,0]=4 20207 B12R1.8 COCCSSc1ccccn1 7a_100009993218_200000210301 [0,2,0,0,0,0|2,0,0]=4 20208 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,2,0,0,0,0|0,0,0]=2 20209 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,2,0,0,0,0|1,0,0]=3 20210 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,2,0,0,0,0|0,0,0]=2 20211 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,2,0,0,0,0|0,0,0]=2 20212 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,2,0,0,0,0|1,0,0]=3 20213 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,2,0,0,0,0|1,0,0]=3 20214 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,2,0,0,0,0|1,0,0]=3 20215 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,2,0,0,0,0|1,0,0]=3 20216 B12R1.8 COCSCCc1ccncc1 62a_100000723409_100000766300 [0,2,0,0,0,0|1,0,0]=3 20217 B12R1.8 COCSCCc1ccncc1 62a_100000766300_100000723409 [0,2,0,0,0,0|1,0,0]=3 20218 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,2,0,0,0,0|1,0,0]=3 20219 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,2,0,0,0,0|1,0,0]=3 20220 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,2,0,0,0,0|0,1,0]=3 20221 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,2,0,0,0,0|0,1,0]=3 20222 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,2,0,0,0,0|1,1,0]=4 20223 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,2,0,0,0,0|1,1,0]=4 20224 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,2,0,0,0,0|0,1,0]=3 20225 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,2,0,0,0,0|0,1,0]=3 20226 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,2,0,0,0,0|0,1,0]=3 20227 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,2,0,0,0,0|0,1,0]=3 20228 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,2,0,0,0,0|0,1,0]=3 20229 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,2,0,0,0,0|0,1,0]=3 20230 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,2,0,0,0,0|0,1,0]=3 20231 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,2,0,0,0,0|0,1,0]=3 20232 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,2,0,0,0,0|0,1,0]=3 20233 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,2,0,0,0,0|1,1,0]=4 20234 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,2,0,0,0,0|1,1,0]=4 20235 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,2,0,0,0,0|1,1,0]=4 20236 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,2,0,0,0,0|1,1,0]=4 20237 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,2,0,0,0,0|1,1,0]=4 20238 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,2,0,0,0,0|1,1,0]=4 20239 B12R1.8 CSCCNCc1ccncc1 207a_100020590264_100000186114 [0,2,0,0,0,0|1,1,0]=4 20240 B12R1.8 CSCCNCc1ccncc1 2230a_100020590264_100015193705 [0,2,0,0,0,0|1,1,0]=4 20241 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,2,0,0,0,0|0,1,0]=3 20242 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,2,0,0,0,0|0,1,0]=3 20243 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,2,0,0,0,0|0,1,0]=3 20244 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,2,0,0,0,0|0,1,0]=3 20245 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,2,0,0,0,0|0,1,0]=3 20246 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,2,0,0,0,0|0,1,0]=3 20247 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,2,0,0,0,0|1,1,0]=4 20248 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,2,0,0,0,0|1,1,0]=4 20249 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,2,0,0,0,0|1,1,0]=4 20250 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,2,0,0,0,0|1,1,0]=4 20251 B12R1.8 CSCCOCc1ccncc1 7a_100000230434_100015193705 [0,2,0,0,0,0|1,1,0]=4 20252 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,2,0,0,0,0|0,1,0]=3 20253 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,2,0,0,0,0|0,1,0]=3 20254 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,2,0,0,0,0|0,1,0]=3 20255 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,2,0,0,0,0|0,1,0]=3 20256 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,2,0,0,0,0|1,1,0]=4 20257 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,2,0,0,0,0|1,1,0]=4 20258 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,2,0,0,0,0|1,1,0]=4 20259 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,2,0,0,0,0|1,1,0]=4 20260 B12R1.8 CSCCSCc1ccncc1 62a_100000212216_100015193705 [0,2,0,0,0,0|1,1,0]=4 20261 B12R1.8 CSCCSCc1ccncc1 62a_100015193705_100000751147 [0,2,0,0,0,0|1,1,0]=4 20262 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,2,0,0,0,0|0,1,0]=3 20263 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,2,0,0,0,0|0,1,0]=3 20264 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,2,0,0,0,0|1,1,0]=4 20265 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,2,0,0,0,0|0,1,0]=3 20266 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,2,0,0,0,0|1,1,0]=4 20267 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,2,0,0,0,0|1,1,0]=4 20268 B12R1.8 CSCOCCc1ccncc1 34a_100011216225_100011218213 [0,2,0,0,0,0|1,1,0]=4 20269 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,2,0,0,0,0|0,1,0]=3 20270 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,2,0,0,0,0|0,1,0]=3 20271 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,2,0,0,0,0|1,1,0]=4 20272 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,2,0,0,0,0|1,1,0]=4 20273 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,2,0,0,0,0|1,1,0]=4 20274 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,2,0,0,0,0|1,1,0]=4 20275 B12R1.8 CSCSCCc1ccncc1 62a_100000723409_100011218213 [0,2,0,0,0,0|1,1,0]=4 20276 B12R1.8 CSCSCCc1ccncc1 62a_100011218213_100000723409 [0,2,0,0,0,0|1,1,0]=4 20277 B12R1.8 CSCSCSc1ccccc1 62a_100011218213_100011218342 [0,2,0,0,0,0|1,1,0]=4 20278 B12R1.8 CSCSCSc1ccccc1 62a_100011218342_100011218213 [0,2,0,0,0,0|1,1,0]=4 20279 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,2,0,0,0,0|1,0,0]=3 20280 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,2,0,0,0,0|2,0,0]=4 20281 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,2,0,0,0,0|2,0,0]=4 20282 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,2,0,0,0,0|1,0,0]=3 20283 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,2,0,0,0,0|1,0,0]=3 20284 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,2,0,0,0,0|1,0,0]=3 20285 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,2,0,0,0,0|2,0,0]=4 20286 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,2,0,0,0,0|2,0,0]=4 20287 B12R1.8 FCCCCOc1ccncc1 34a_100000212176_100000729493 [0,2,0,0,0,0|2,0,0]=4 20288 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,2,0,0,0,0|1,0,0]=3 20289 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,2,0,0,0,0|1,0,0]=3 20290 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,2,0,0,0,0|2,0,0]=4 20291 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,2,0,0,0,0|2,0,0]=4 20292 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,2,0,0,0,0|2,0,0]=4 20293 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,2,0,0,0,0|2,0,0]=4 20294 B12R1.8 FCCCCSc1ccncc1 62a_100000728582_100000729493 [0,2,0,0,0,0|2,0,0]=4 20295 B12R1.8 FCCCCSc1ccncc1 62a_100000729493_100000728582 [0,2,0,0,0,0|2,0,0]=4 20296 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,2,0,0,0,0|1,0,0]=3 20297 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,2,0,0,0,0|1,0,0]=3 20298 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,2,0,0,0,0|1,0,0]=3 20299 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,2,0,0,0,0|1,0,0]=3 20300 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,2,0,0,0,0|1,0,0]=3 20301 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,2,0,0,0,0|1,0,0]=3 20302 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,2,0,0,0,0|2,0,0]=4 20303 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,2,0,0,0,0|2,0,0]=4 20304 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,2,0,0,0,0|2,0,0]=4 20305 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,2,0,0,0,0|2,0,0]=4 20306 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,2,0,0,0,0|2,0,0]=4 20307 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,2,0,0,0,0|2,0,0]=4 20308 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,2,0,0,0,0|2,0,0]=4 20309 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,2,0,0,0,0|2,0,0]=4 20310 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [0,2,0,0,0,0|2,0,0]=4 20311 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [0,2,0,0,0,0|2,0,0]=4 20312 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,2,0,0,0,0|1,0,0]=3 20313 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,2,0,0,0,0|1,0,0]=3 20314 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,2,0,0,0,0|1,0,0]=3 20315 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,2,0,0,0,0|2,0,0]=4 20316 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,2,0,0,0,0|2,0,0]=4 20317 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,2,0,0,0,0|1,0,0]=3 20318 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,2,0,0,0,0|1,0,0]=3 20319 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,2,0,0,0,0|2,0,0]=4 20320 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,2,0,0,0,0|2,0,0]=4 20321 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,2,0,0,0,0|2,0,0]=4 20322 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,2,0,0,0,0|2,0,0]=4 20323 B12R1.8 FCCCSCc1ccncc1 62a_100011934791_100015193705 [0,2,0,0,0,0|2,0,0]=4 20324 B12R1.8 FCCCSCc1ccncc1 62a_100015193705_100011934791 [0,2,0,0,0,0|2,0,0]=4 20325 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,2,0,0,0,0|1,0,0]=3 20326 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,2,0,0,0,0|1,0,0]=3 20327 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,2,0,0,0,0|1,0,0]=3 20328 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,2,0,0,0,0|2,0,0]=4 20329 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,2,0,0,0,0|1,0,0]=3 20330 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,2,0,0,0,0|1,0,0]=3 20331 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,2,0,0,0,0|2,0,0]=4 20332 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,2,0,0,0,0|2,0,0]=4 20333 B12R1.8 FCCOCCc1ccncc1 34a_100011216225_100011217306 [0,2,0,0,0,0|2,0,0]=4 20334 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,2,0,0,0,0|1,0,0]=3 20335 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,2,0,0,0,0|1,0,0]=3 20336 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,2,0,0,0,0|2,0,0]=4 20337 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,2,0,0,0,0|2,0,0]=4 20338 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,2,0,0,0,0|2,0,0]=4 20339 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,2,0,0,0,0|2,0,0]=4 20340 B12R1.8 FCCSCCc1ccncc1 62a_100000723409_100011217306 [0,2,0,0,0,0|2,0,0]=4 20341 B12R1.8 FCCSCCc1ccncc1 62a_100011217306_100000723409 [0,2,0,0,0,0|2,0,0]=4 20342 B12R1.8 FCCSCSc1ccccc1 62a_100011217306_100011218342 [0,2,0,0,0,0|1,0,0]=3 20343 B12R1.8 FCCSCSc1ccccc1 62a_100011218342_100011217306 [0,2,0,0,0,0|1,0,0]=3 20344 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,2,0,0,0,0|1,0,1]=4 20345 B12R1.8 FCNCC#Cc1ccccc1 34a_100000735379_100015361967 [0,2,0,0,0,0|1,0,1]=4 20346 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,2,0,0,0,0|1,0,0]=3 20347 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,2,0,0,0,0|2,0,0]=4 20348 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,2,0,0,0,0|1,0,0]=3 20349 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,2,0,0,0,0|0,0,2]=4 20350 B12R1.8 FCOCC#Cc1ccccc1 34a_100011217464_100015361967 [0,2,0,0,0,0|0,0,2]=4 20351 B12R1.8 FCOCC#Cc1ccccc1 7a_100011217464_100015361967 [0,2,0,0,0,0|0,0,2]=4 20352 B12R1.8 FCOCCCC1=CCC=CC1 34a_100020667889_100015361967 [0,2,0,0,0,0|0,0,2]=4 20353 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,2,0,0,0,0|0,0,0]=2 20354 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,2,0,0,0,0|0,0,0]=2 20355 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,2,0,0,0,0|1,0,0]=3 20356 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,2,0,0,0,0|1,0,0]=3 20357 B12R1.8 FCOCCCc1ccncc1 34a_100000210659_100015361967 [0,2,0,0,0,0|1,0,0]=3 20358 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,2,0,0,0,0|1,0,0]=3 20359 B12R1.8 FCOCCNc1ccncc1 34a_200011243140_100015361967 [0,2,0,0,0,0|2,0,0]=4 20360 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,2,0,0,0,0|1,0,0]=3 20361 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,2,0,0,0,0|1,0,0]=3 20362 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,2,0,0,0,0|1,0,0]=3 20363 B12R1.8 FCOCCSc1ccccn1 7a_100000156319_100015361967 [0,2,0,0,0,0|2,0,0]=4 20364 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [0,2,0,0,0,0|1,0,1]=4 20365 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [0,2,0,0,0,0|1,0,1]=4 20366 B12R1.8 FCSCC#Cc1ccccc1 62a_100015361967_100011352542 [0,2,0,0,0,0|1,0,1]=4 20367 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,2,0,0,0,0|0,1,0]=3 20368 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,2,0,0,0,0|0,1,0]=3 20369 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,2,0,0,0,0|1,0,0]=3 20370 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,2,0,0,0,0|1,0,0]=3 20371 B12R1.8 FCSCCSc1ccccc1 62a_100000246102_100015361967 [0,2,0,0,0,0|1,0,0]=3 20372 B12R1.8 FCSCCSc1ccccc1 62a_100015361967_100000246102 [0,2,0,0,0,0|1,0,0]=3 20373 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,2,0,0,0,0|1,0,0]=3 20374 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,2,0,0,0,0|1,0,0]=3 20375 B12R1.8 FCSCSCc1ccccc1 62a_100015361967_200011217039 [0,2,0,0,0,0|1,0,0]=3 20376 B12R1.8 FCSCSCc1ccccc1 62a_200011217039_100015361967 [0,2,0,0,0,0|1,0,0]=3 20377 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,2,0,0,0,0|1,0,0]=3 20378 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [0,2,0,0,0,0|2,0,0]=4 20379 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [0,2,0,0,0,0|1,0,0]=3 20380 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [0,2,0,0,0,0|1,0,0]=3 20381 B12R1.8 N#CCCCSc1ccccn1 62a_100000687738_100011216584 [0,2,0,0,0,0|2,0,0]=4 20382 B12R1.8 N#CCCCSc1ccccn1 62a_100011216584_100000687738 [0,2,0,0,0,0|2,0,0]=4 20383 B12R1.8 N#CCCCSc1cccnc1 62a_100000210063_100000687738 [0,2,0,0,0,0|2,0,0]=4 20384 B12R1.8 N#CCCCSc1cccnc1 62a_100000687738_100000210063 [0,2,0,0,0,0|2,0,0]=4 20385 B12R1.8 N#CCCCSc1ccncc1 62a_100000687738_100000728582 [0,2,0,0,0,0|2,0,0]=4 20386 B12R1.8 N#CCCCSc1ccncc1 62a_100000728582_100000687738 [0,2,0,0,0,0|2,0,0]=4 20387 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,2,0,0,0,0|1,0,0]=3 20388 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,2,0,0,0,0|1,0,0]=3 20389 B12R1.8 N#CCCNCc1ccccn1 270004a_100000720768_100000209966 [0,2,0,0,0,0|2,0,0]=4 20390 B12R1.8 N#CCCNCc1cccnc1 270004a_100000720768_100000209961 [0,2,0,0,0,0|2,0,0]=4 20391 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,2,0,0,0,0|1,0,0]=3 20392 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [0,2,0,0,0,0|1,0,0]=3 20393 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [0,2,0,0,0,0|1,0,0]=3 20394 B12R1.8 N#CCCSCc1ccccn1 62a_100000721315_100011215226 [0,2,0,0,0,0|2,0,0]=4 20395 B12R1.8 N#CCCSCc1ccccn1 62a_100011215226_100000721315 [0,2,0,0,0,0|2,0,0]=4 20396 B12R1.8 N#CCCSCc1cccnc1 62a_100000741622_100011215226 [0,2,0,0,0,0|2,0,0]=4 20397 B12R1.8 N#CCCSCc1cccnc1 62a_100011215226_100000741622 [0,2,0,0,0,0|2,0,0]=4 20398 B12R1.8 N#CCCSCc1ccncc1 62a_100011215226_100015193705 [0,2,0,0,0,0|2,0,0]=4 20399 B12R1.8 N#CCCSCc1ccncc1 62a_100015193705_100011215226 [0,2,0,0,0,0|2,0,0]=4 20400 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,2,0,0,0,0|1,0,0]=3 20401 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,2,0,0,0,0|2,0,0]=4 20402 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,2,0,0,0,0|1,0,0]=3 20403 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [0,2,0,0,0,0|1,0,0]=3 20404 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [0,2,0,0,0,0|1,0,0]=3 20405 B12R1.8 N#CCSCCc1ccccn1 62a_100011215382_100015183660 [0,2,0,0,0,0|2,0,0]=4 20406 B12R1.8 N#CCSCCc1ccccn1 62a_100015183660_100011215382 [0,2,0,0,0,0|2,0,0]=4 20407 B12R1.8 N#CCSCCc1cccnc1 62a_100011215382_200011713674 [0,2,0,0,0,0|2,0,0]=4 20408 B12R1.8 N#CCSCCc1cccnc1 62a_200011713674_100011215382 [0,2,0,0,0,0|2,0,0]=4 20409 B12R1.8 N#CCSCCc1ccncc1 62a_100000723409_100011215382 [0,2,0,0,0,0|2,0,0]=4 20410 B12R1.8 N#CCSCCc1ccncc1 62a_100011215382_100000723409 [0,2,0,0,0,0|2,0,0]=4 20411 B12R1.8 N#CCSCSc1ccccc1 62a_100011215382_100011218342 [0,2,0,0,0,0|1,0,1]=4 20412 B12R1.8 N#CCSCSc1ccccc1 62a_100011218342_100011215382 [0,2,0,0,0,0|1,0,1]=4 20413 B12R1.8 N#CSCCSc1ccccc1 62a_100000034367_100000041952 [0,2,0,0,0,0|1,0,1]=4 20414 B12R1.8 N#CSCCSc1ccccc1 62a_100000719477_100000034367 [0,2,0,0,0,0|1,0,1]=4 20415 B12R1.8 N#CSCSCc1ccccc1 62a_100000211182_100000211825 [0,2,0,0,0,0|1,0,1]=4 20416 B12R1.8 N#CSCSCc1ccccc1 62a_100000211825_100015291786 [0,2,0,0,0,0|1,0,1]=4 20417 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,2,0,0,0,0|1,0,0]=3 20418 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,2,0,0,0,0|2,0,0]=4 20419 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,2,0,0,0,0|2,0,0]=4 20420 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,2,0,0,0,0|1,0,0]=3 20421 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,2,0,0,0,0|0,0,0]=2 20422 B12R1.8 NOCCOCc1ccccn1 34a_100000700252_100000721315 [0,2,0,0,0,0|1,0,0]=3 20423 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,2,0,0,0,0|1,0,0]=3 20424 B12R1.8 NOCCOCc1cccnn1 34a_100000700252_100016990269 [0,2,0,0,0,0|2,0,0]=4 20425 B12R1.8 NOCCOCc1cnccn1 34a_100000700252_100016995436 [0,2,0,0,0,0|2,0,0]=4 20426 B12R1.8 NOCCOCc1cncnc1 34a_100000700252_100015196519 [0,2,0,0,0,0|2,0,0]=4 20427 B12R1.8 NOCCOCc1ncccn1 34a_100000700252_100000703007 [0,2,0,0,0,0|2,0,0]=4 20428 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,2,0,0,0,0|0,0,1]=3 20429 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,2,0,0,0,0|1,0,1]=4 20430 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,2,0,0,0,0|0,0,1]=3 20431 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,2,0,0,0,0|0,0,1]=3 20432 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [0,2,0,0,0,0|1,0,1]=4 20433 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [0,2,0,0,0,0|1,0,1]=4 20434 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,2,0,0,0,0|1,0,1]=4 20435 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,2,0,0,0,0|1,0,1]=4 20436 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [0,2,0,0,0,0|1,0,1]=4 20437 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [0,2,0,0,0,0|1,0,1]=4 20438 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|0,0,1]=3 20439 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|0,0,1]=3 20440 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,2,0,0,0,0|1,0,1]=4 20441 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|0,0,1]=3 20442 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|0,0,1]=3 20443 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,2,0,0,0,0|1,0,1]=4 20444 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,2,0,0,0,0|1,0,1]=4 20445 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [0,2,0,0,0,0|1,0,1]=4 20446 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|0,0,1]=3 20447 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|0,0,1]=3 20448 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [0,2,0,0,0,0|1,0,1]=4 20449 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [0,2,0,0,0,0|1,0,1]=4 20450 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [0,2,0,0,0,0|1,0,1]=4 20451 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [0,2,0,0,0,0|1,0,1]=4 20452 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [0,2,0,0,0,0|1,0,1]=4 20453 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [0,2,0,0,0,0|1,0,1]=4 20454 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,2,0,0,0,0|0,0,2]=4 20455 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,2,0,0,0,0|0,0,2]=4 20456 B12R1.8 OCC#CCNc1ccccc1 34a_100000106764_200000047223 [0,2,0,0,0,0|0,0,1]=3 20457 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [0,2,0,0,0,0|0,0,1]=3 20458 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [0,2,0,0,0,0|0,0,1]=3 20459 B12R1.8 OCC#CCOc1cccnc1 34a_100000210849_200000047223 [0,2,0,0,0,0|1,0,1]=4 20460 B12R1.8 OCC#CCOc1cccnc1 7a_100000210849_200000047223 [0,2,0,0,0,0|1,0,1]=4 20461 B12R1.8 OCC#CCOc1ccncc1 34a_100000212176_200000047223 [0,2,0,0,0,0|1,0,1]=4 20462 B12R1.8 OCC#CCSc1ccccc1 62a_100000719477_200000047223 [0,2,0,0,0,0|0,0,1]=3 20463 B12R1.8 OCC#CCSc1ccccc1 62a_200000047223_100000041952 [0,2,0,0,0,0|0,0,1]=3 20464 B12R1.8 OCC#CCSc1ccccn1 62a_100011216584_200000047223 [0,2,0,0,0,0|1,0,1]=4 20465 B12R1.8 OCC#CCSc1ccccn1 62a_200000047223_100011216584 [0,2,0,0,0,0|1,0,1]=4 20466 B12R1.8 OCC#CCSc1cccnc1 62a_100000210063_200000047223 [0,2,0,0,0,0|1,0,1]=4 20467 B12R1.8 OCC#CCSc1cccnc1 62a_200000047223_100000210063 [0,2,0,0,0,0|1,0,1]=4 20468 B12R1.8 OCC#CCSc1ccncc1 62a_100000728582_200000047223 [0,2,0,0,0,0|1,0,1]=4 20469 B12R1.8 OCC#CCSc1ccncc1 62a_200000047223_100000728582 [0,2,0,0,0,0|1,0,1]=4 20470 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,2,0,0,0,0|0,0,0]=2 20471 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,2,0,0,0,0|2,0,0]=4 20472 B12R1.8 OCCCCNc1ccncn1 27a_100000750430_100000703185 [0,2,0,0,0,0|2,0,0]=4 20473 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,2,0,0,0,0|2,0,0]=4 20474 B12R1.8 OCCCCNc1ncccn1 27a_100000750430_100000211032 [0,2,0,0,0,0|2,0,0]=4 20475 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,2,0,0,0,0|0,0,0]=2 20476 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,2,0,0,0,0|0,0,0]=2 20477 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,2,0,0,0,0|1,0,0]=3 20478 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,2,0,0,0,0|1,0,0]=3 20479 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [0,2,0,0,0,0|1,0,0]=3 20480 B12R1.8 OCCCCOc1ccnnc1 34a_100015204005_100011216708 [0,2,0,0,0,0|2,0,0]=4 20481 B12R1.8 OCCCCOc1cncnc1 7a_100000754086_100000210776 [0,2,0,0,0,0|2,0,0]=4 20482 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,2,0,0,0,0|0,0,0]=2 20483 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,2,0,0,0,0|0,0,0]=2 20484 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,2,0,0,0,0|1,0,0]=3 20485 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,2,0,0,0,0|1,0,0]=3 20486 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,2,0,0,0,0|1,0,0]=3 20487 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,2,0,0,0,0|1,0,0]=3 20488 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,2,0,0,0,0|2,0,0]=4 20489 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,2,0,0,0,0|2,0,0]=4 20490 B12R1.8 OCCCCSc1ccncc1 62a_100000210776_100000728582 [0,2,0,0,0,0|1,0,0]=3 20491 B12R1.8 OCCCCSc1ccncc1 62a_100000728582_100000210776 [0,2,0,0,0,0|1,0,0]=3 20492 B12R1.8 OCCCCSc1ccncn1 62a_100000210776_100000703185 [0,2,0,0,0,0|2,0,0]=4 20493 B12R1.8 OCCCCSc1ccncn1 62a_100000703185_100000210776 [0,2,0,0,0,0|2,0,0]=4 20494 B12R1.8 OCCCCSc1ccnnc1 62a_100000210776_100000732662 [0,2,0,0,0,0|2,0,0]=4 20495 B12R1.8 OCCCCSc1ccnnc1 62a_100000732662_100000210776 [0,2,0,0,0,0|2,0,0]=4 20496 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,2,0,0,0,0|2,0,0]=4 20497 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,2,0,0,0,0|2,0,0]=4 20498 B12R1.8 OCCCCSc1cncnc1 62a_100000210776_100011206942 [0,2,0,0,0,0|2,0,0]=4 20499 B12R1.8 OCCCCSc1cncnc1 62a_100011206942_100000210776 [0,2,0,0,0,0|2,0,0]=4 20500 B12R1.8 OCCCCSc1ncccn1 62a_100000210776_100000211032 [0,2,0,0,0,0|2,0,0]=4 20501 B12R1.8 OCCCCSc1ncccn1 62a_100000211032_100000210776 [0,2,0,0,0,0|2,0,0]=4 20502 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,2,0,0,0,0|0,0,0]=2 20503 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,2,0,0,0,0|0,0,0]=2 20504 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,2,0,0,0,0|0,0,0]=2 20505 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,2,0,0,0,0|0,0,0]=2 20506 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,2,0,0,0,0|1,0,0]=3 20507 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,2,0,0,0,0|1,0,0]=3 20508 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,2,0,0,0,0|1,0,0]=3 20509 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,2,0,0,0,0|1,0,0]=3 20510 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,2,0,0,0,0|2,0,0]=4 20511 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,2,0,0,0,0|1,0,0]=3 20512 B12R1.8 OCCCNCc1ccnnc1 270004a_100000182051_100011934578 [0,2,0,0,0,0|2,0,0]=4 20513 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,2,0,0,0,0|2,0,0]=4 20514 B12R1.8 OCCCNCc1cncnc1 2230a_100011243677_100000230001 [0,2,0,0,0,0|2,0,0]=4 20515 B12R1.8 OCCCNCc1cncnc1 270004a_100000182051_100000749868 [0,2,0,0,0,0|2,0,0]=4 20516 B12R1.8 OCCCNCc1ncccn1 270004a_100000182051_100011532527 [0,2,0,0,0,0|2,0,0]=4 20517 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,2,0,0,0,0|0,0,0]=2 20518 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,2,0,0,0,0|0,0,0]=2 20519 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,2,0,0,0,0|0,0,0]=2 20520 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,2,0,0,0,0|0,0,0]=2 20521 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,2,0,0,0,0|1,0,0]=3 20522 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,2,0,0,0,0|1,0,0]=3 20523 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,2,0,0,0,0|1,0,0]=3 20524 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,2,0,0,0,0|1,0,0]=3 20525 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,2,0,0,0,0|2,0,0]=4 20526 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,2,0,0,0,0|2,0,0]=4 20527 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [0,2,0,0,0,0|1,0,0]=3 20528 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [0,2,0,0,0,0|1,0,0]=3 20529 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,2,0,0,0,0|2,0,0]=4 20530 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,2,0,0,0,0|2,0,0]=4 20531 B12R1.8 OCCCSCc1cncnc1 62a_100011215043_100015196519 [0,2,0,0,0,0|2,0,0]=4 20532 B12R1.8 OCCCSCc1cncnc1 62a_100015196519_100011215043 [0,2,0,0,0,0|2,0,0]=4 20533 B12R1.8 OCCCSCc1ncccn1 62a_100000703007_100011215043 [0,2,0,0,0,0|2,0,0]=4 20534 B12R1.8 OCCCSCc1ncccn1 62a_100011215043_100000703007 [0,2,0,0,0,0|2,0,0]=4 20535 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,2,0,0,0,0|0,0,0]=2 20536 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,2,0,0,0,0|0,0,0]=2 20537 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,2,0,0,0,0|0,0,0]=2 20538 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,2,0,0,0,0|0,0,0]=2 20539 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,2,0,0,0,0|1,0,0]=3 20540 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,2,0,0,0,0|1,0,0]=3 20541 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,2,0,0,0,0|1,0,0]=3 20542 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,2,0,0,0,0|1,0,0]=3 20543 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,2,0,0,0,0|0,0,0]=2 20544 B12R1.8 OCCNN=Cc1ccccc1 4a_100000210001_100015611070 [0,2,0,0,0,0|0,0,1]=3 20545 B12R1.8 OCCNN=Cc1ccccn1 4a_100000210001_100000209966 [0,2,0,0,0,0|1,0,1]=4 20546 B12R1.8 OCCNN=Cc1cccnc1 4a_100000210001_100000209961 [0,2,0,0,0,0|1,0,1]=4 20547 B12R1.8 OCCNN=Cc1ccncc1 4a_100000210001_100000186114 [0,2,0,0,0,0|1,0,1]=4 20548 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,2,0,0,0,0|0,0,0]=2 20549 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,2,0,0,0,0|0,0,0]=2 20550 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,2,0,0,0,0|1,0,0]=3 20551 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,2,0,0,0,0|1,0,0]=3 20552 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [0,2,0,0,0,0|1,0,0]=3 20553 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,2,0,0,0,0|2,0,0]=4 20554 B12R1.8 OCCOCCc1cncnc1 34a_100011709255_100000211926 [0,2,0,0,0,0|2,0,0]=4 20555 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,2,0,0,0,0|0,0,0]=2 20556 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,2,0,0,0,0|0,0,0]=2 20557 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,2,0,0,0,0|1,0,0]=3 20558 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,2,0,0,0,0|1,0,0]=3 20559 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,2,0,0,0,0|1,0,0]=3 20560 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,2,0,0,0,0|1,0,0]=3 20561 B12R1.8 OCCSCCc1ccncc1 62a_100000211926_100000723409 [0,2,0,0,0,0|1,0,0]=3 20562 B12R1.8 OCCSCCc1ccncc1 62a_100000723409_100000211926 [0,2,0,0,0,0|1,0,0]=3 20563 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [0,2,0,0,0,0|0,0,0]=2 20564 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [0,2,0,0,0,0|0,0,0]=2 20565 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,2,0,0,0,0|1,0,0]=3 20566 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,2,0,0,0,0|1,0,0]=3 20567 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 20568 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 20569 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,2,0,0,0,0|1,0,0]=3 20570 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 20571 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 20572 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 20573 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 20574 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 20575 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [0,2,0,0,0,0|0,0,1]=3 20576 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [0,2,0,0,0,0|0,0,1]=3 20577 B12R1.8 [13CH3]OCCC#Cc1ccccn1 34a_200011894334_200025704644 [0,2,0,0,0,0|1,0,1]=4 20578 B12R1.8 [13CH3]OCCC#Cc1cccnc1 34a_200011376248_200025704644 [0,2,0,0,0,0|1,0,1]=4 20579 B12R1.8 [13CH3]OCCC#Cc1ccncc1 34a_100011894394_200025704644 [0,2,0,0,0,0|1,0,1]=4 20580 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,2,0,0,0,0|0,0,0]=2 20581 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,2,0,0,0,0|0,0,0]=2 20582 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,2,0,0,0,0|1,0,0]=3 20583 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,2,0,0,0,0|1,0,0]=3 20584 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,2,0,0,0,0|1,0,0]=3 20585 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,2,0,0,0,0|1,0,0]=3 20586 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|0,0,0]=2 20587 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,2,0,0,0,0|0,0,0]=2 20588 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,2,0,0,0,0|0,0,0]=2 20589 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,2,0,0,0,0|0,0,0]=2 20590 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,2,0,0,0,0|0,0,0]=2 20591 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,2,0,0,0,0|0,0,0]=2 20592 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,2,0,0,0,0|0,0,0]=2 20593 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,2,0,0,0,0|0,0,0]=2 20594 B12R1.8 [13CH3]OCCSSc1ccccn1 7a_100009993218_200025704644 [0,2,0,0,0,0|2,0,0]=4 20595 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,2,0,0,0,0|0,1,0]=3 20596 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,2,0,0,0,0|0,1,0]=3 20597 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,2,0,0,0,0|1,1,0]=4 20598 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,2,0,0,0,0|1,1,0]=4 20599 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,2,0,0,0,0|0,1,0]=3 20600 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,2,0,0,0,0|0,1,0]=3 20601 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,2,0,0,0,0|0,1,0]=3 20602 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,2,0,0,0,0|0,1,0]=3 20603 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,2,0,0,0,0|0,1,0]=3 20604 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,2,0,0,0,0|0,1,0]=3 20605 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,2,0,0,0,0|0,1,0]=3 20606 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,2,0,0,0,0|0,1,0]=3 20607 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,2,0,0,0,0|0,0,2]=4 20608 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,2,0,0,0,0|1,0,1]=4 20609 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,2,0,0,0,0|1,0,1]=4 20610 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,2,0,0,0,0|1,0,1]=4 20611 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,2,0,0,0,0|1,0,1]=4 20612 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,2,0,0,0,0|1,0,1]=4 20613 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,2,0,0,0,0|1,0,1]=4 20614 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,2,0,0,0,0|1,0,1]=4 20615 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,2,0,0,0,0|1,0,1]=4 20616 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,2,0,0,0,0|0,0,2]=4 20617 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,2,0,0,0,0|1,0,1]=4 20618 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,2,0,0,0,0|1,0,1]=4 20619 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,2,0,0,0,0|1,0,0]=3 20620 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,2,0,0,0,0|1,0,0]=3 20621 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,2,0,0,0,0|1,0,0]=3 20622 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [0,2,0,0,0,0|2,0,0]=4 20623 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [0,2,0,0,0,0|2,0,0]=4 20624 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [0,2,0,0,0,0|2,0,0]=4 20625 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,2,0,0,0,0|1,0,0]=3 20626 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,2,0,0,0,0|1,0,0]=3 20627 B12R1.27 C=CC(O)CSc1ccccn1 62a_100000730141_100011216584 [0,2,0,0,0,0|2,0,0]=4 20628 B12R1.27 C=CC(O)CSc1ccccn1 62a_100011216584_100000730141 [0,2,0,0,0,0|2,0,0]=4 20629 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000210063_100000730141 [0,2,0,0,0,0|2,0,0]=4 20630 B12R1.27 C=CC(O)CSc1cccnc1 62a_100000730141_100000210063 [0,2,0,0,0,0|2,0,0]=4 20631 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000728582_100000730141 [0,2,0,0,0,0|2,0,0]=4 20632 B12R1.27 C=CC(O)CSc1ccncc1 62a_100000730141_100000728582 [0,2,0,0,0,0|2,0,0]=4 20633 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,2,0,0,0,0|1,0,1]=4 20634 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,2,0,0,0,0|0,0,2]=4 20635 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,2,0,0,0,0|0,0,2]=4 20636 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,2,0,0,0,0|1,0,1]=4 20637 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,2,0,0,0,0|1,0,1]=4 20638 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,2,0,0,0,0|1,0,1]=4 20639 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,2,0,0,0,0|1,0,1]=4 20640 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,2,0,0,0,0|1,0,1]=4 20641 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,2,0,0,0,0|1,0,1]=4 20642 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,2,0,0,0,0|1,0,0]=3 20643 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,2,0,0,0,0|1,0,0]=3 20644 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,2,0,0,0,0|1,0,0]=3 20645 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,2,0,0,0,0|1,0,0]=3 20646 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,2,0,0,0,0|2,0,0]=4 20647 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,2,0,0,0,0|2,0,0]=4 20648 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,2,0,0,0,0|2,0,0]=4 20649 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,2,0,0,0,0|2,0,0]=4 20650 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,2,0,0,0,0|2,0,0]=4 20651 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|1,0,0]=3 20652 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,2,0,0,0,0|2,0,0]=4 20653 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,2,0,0,0,0|2,0,0]=4 20654 B12R1.27 CC(CO)CNc1cccnn1 27a_100000744482_100016991348 [0,2,0,0,0,0|2,0,0]=4 20655 B12R1.27 CC(CO)CNc1ccncn1 27a_100000744482_100000703185 [0,2,0,0,0,0|2,0,0]=4 20656 B12R1.27 CC(CO)CNc1cnccn1 27a_100000744482_100000211759 [0,2,0,0,0,0|2,0,0]=4 20657 B12R1.27 CC(CO)CNc1ncccn1 27a_100000744482_100000211032 [0,2,0,0,0,0|2,0,0]=4 20658 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,2,0,0,0,0|0,0,0]=2 20659 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,2,0,0,0,0|0,0,0]=2 20660 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,2,0,0,0,0|2,0,0]=4 20661 B12R1.27 CC(CO)NCc1cncnc1 2230a_100011243677_100012180447 [0,2,0,0,0,0|2,0,0]=4 20662 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,2,0,0,0,0|0,0,0]=2 20663 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,2,0,0,0,0|0,0,0]=2 20664 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,2,0,0,0,0|0,0,0]=2 20665 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,2,0,0,0,0|1,0,0]=3 20666 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,2,0,0,0,0|1,0,0]=3 20667 B12R1.27 CC(CO)SCc1cccnn1 62a_100012180447_100016990269 [0,2,0,0,0,0|2,0,0]=4 20668 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,2,0,0,0,0|1,0,0]=3 20669 B12R1.27 CC(CO)SCc1cnccn1 62a_100012180447_100016995436 [0,2,0,0,0,0|2,0,0]=4 20670 B12R1.27 CC(CO)SCc1cncnc1 62a_100012180447_100015196519 [0,2,0,0,0,0|2,0,0]=4 20671 B12R1.27 CC(CO)SCc1ncccn1 62a_100012180447_100000703007 [0,2,0,0,0,0|2,0,0]=4 20672 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,2,0,0,0,0|2,0,0]=4 20673 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,2,0,0,0,0|2,0,0]=4 20674 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,2,0,0,0,0|1,0,0]=3 20675 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,2,0,0,0,0|1,0,0]=3 20676 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|1,0,0]=3 20677 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|1,0,0]=3 20678 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,2,0,0,0,0|2,0,0]=4 20679 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,2,0,0,0,0|2,0,0]=4 20680 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,2,0,0,0,0|2,0,0]=4 20681 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,2,0,0,0,0|2,0,0]=4 20682 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,2,0,0,0,0|2,0,0]=4 20683 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,2,0,0,0,0|2,0,0]=4 20684 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,2,0,0,0,0|1,0,1]=4 20685 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,2,0,0,0,0|1,0,1]=4 20686 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,2,0,0,0,0|1,0,1]=4 20687 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,2,0,0,0,0|1,0,1]=4 20688 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,2,0,0,0,0|1,0,1]=4 20689 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 20690 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 20691 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 20692 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,2,0,0,0,0|1,0,1]=4 20693 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,2,0,0,0,0|1,0,0]=3 20694 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,2,0,0,0,0|1,0,0]=3 20695 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,2,0,0,0,0|1,0,0]=3 20696 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,2,0,0,0,0|2,0,0]=4 20697 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,2,0,0,0,0|2,0,0]=4 20698 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,2,0,0,0,0|2,0,0]=4 20699 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,2,0,0,0,0|1,0,0]=3 20700 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,2,0,0,0,0|1,0,0]=3 20701 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,2,0,0,0,0|2,0,0]=4 20702 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,2,0,0,0,0|2,0,0]=4 20703 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,2,0,0,0,0|2,0,0]=4 20704 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,2,0,0,0,0|2,0,0]=4 20705 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,2,0,0,0,0|2,0,0]=4 20706 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,2,0,0,0,0|2,0,0]=4 20707 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,2,0,0,0,0|1,0,0]=3 20708 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,2,0,0,0,0|1,0,0]=3 20709 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,2,0,0,0,0|1,0,0]=3 20710 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,2,0,0,0,0|1,0,0]=3 20711 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,2,0,0,0,0|1,0,0]=3 20712 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,2,0,0,0,0|2,0,0]=4 20713 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,2,0,0,0,0|2,0,0]=4 20714 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,2,0,0,0,0|2,0,0]=4 20715 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,2,0,0,0,0|2,0,0]=4 20716 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,2,0,0,0,0|2,0,0]=4 20717 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,2,0,0,0,0|2,0,0]=4 20718 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,2,0,0,0,0|2,0,0]=4 20719 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,2,0,0,0,0|2,0,0]=4 20720 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,2,0,0,0,0|1,0,0]=3 20721 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,2,0,0,0,0|1,0,0]=3 20722 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,2,0,0,0,0|1,0,0]=3 20723 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,2,0,0,0,0|2,0,0]=4 20724 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,2,0,0,0,0|2,0,0]=4 20725 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,2,0,0,0,0|2,0,0]=4 20726 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,2,0,0,0,0|1,0,0]=3 20727 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,2,0,0,0,0|1,0,0]=3 20728 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,2,0,0,0,0|2,0,0]=4 20729 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,2,0,0,0,0|2,0,0]=4 20730 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,2,0,0,0,0|2,0,0]=4 20731 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,2,0,0,0,0|2,0,0]=4 20732 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,2,0,0,0,0|2,0,0]=4 20733 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,2,0,0,0,0|2,0,0]=4 20734 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,2,0,0,0,0|1,0,0]=3 20735 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,2,0,0,0,0|1,0,0]=3 20736 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,2,0,0,0,0|1,0,0]=3 20737 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,2,0,0,0,0|2,0,0]=4 20738 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,2,0,0,0,0|2,0,0]=4 20739 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,2,0,0,0,0|2,0,0]=4 20740 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,2,0,0,0,0|1,0,0]=3 20741 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,2,0,0,0,0|1,0,0]=3 20742 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,2,0,0,0,0|2,0,0]=4 20743 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,2,0,0,0,0|2,0,0]=4 20744 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,2,0,0,0,0|2,0,0]=4 20745 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,2,0,0,0,0|2,0,0]=4 20746 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,2,0,0,0,0|2,0,0]=4 20747 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,2,0,0,0,0|2,0,0]=4 20748 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,2,0,0,0,0|1,0,0]=3 20749 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,2,0,0,0,0|1,0,0]=3 20750 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,2,0,0,0,0|1,0,0]=3 20751 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,2,0,0,0,0|1,0,0]=3 20752 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,2,0,0,0,0|1,0,0]=3 20753 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,2,0,0,0,0|1,0,0]=3 20754 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,2,0,0,0,0|2,0,0]=4 20755 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,2,0,0,0,0|2,0,0]=4 20756 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,2,0,0,0,0|2,0,0]=4 20757 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,2,0,0,0,0|2,0,0]=4 20758 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,2,0,0,0,0|2,0,0]=4 20759 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,2,0,0,0,0|2,0,0]=4 20760 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,2,0,0,0,0|2,0,0]=4 20761 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,2,0,0,0,0|2,0,0]=4 20762 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,2,0,0,0,0|2,0,0]=4 20763 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,2,0,0,0,0|2,0,0]=4 20764 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,2,0,0,0,0|2,0,0]=4 20765 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,2,0,0,0,0|2,0,0]=4 20766 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,2,0,0,0,0|2,0,0]=4 20767 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,2,0,0,0,0|2,0,0]=4 20768 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,2,0,0,0,0|2,0,0]=4 20769 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,2,0,0,0,0|2,0,0]=4 20770 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,2,0,0,0,0|1,0,0]=3 20771 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,2,0,0,0,0|1,0,0]=3 20772 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,2,0,0,0,0|2,0,0]=4 20773 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,2,0,0,0,0|2,0,0]=4 20774 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,2,0,0,0,0|1,0,0]=3 20775 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,2,0,0,0,0|1,0,0]=3 20776 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,2,0,0,0,0|1,0,0]=3 20777 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,2,0,0,0,0|2,0,0]=4 20778 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,2,0,0,0,0|2,0,0]=4 20779 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,2,0,0,0,0|2,0,0]=4 20780 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,2,0,0,0,0|1,0,0]=3 20781 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,2,0,0,0,0|1,0,0]=3 20782 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,2,0,0,0,0|2,0,0]=4 20783 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,2,0,0,0,0|2,0,0]=4 20784 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,2,0,0,0,0|2,0,0]=4 20785 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,2,0,0,0,0|2,0,0]=4 20786 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,2,0,0,0,0|2,0,0]=4 20787 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,2,0,0,0,0|2,0,0]=4 20788 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,2,0,0,0,0|1,0,0]=3 20789 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,2,0,0,0,0|2,0,0]=4 20790 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [0,2,0,0,0,0|2,0,0]=4 20791 B12R1.27 CN(CF)CCc1ccncc1 269982a_100000742850_100015361967 [0,2,0,0,0,0|2,0,0]=4 20792 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|0,0,2]=4 20793 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|0,0,2]=4 20794 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|0,0,2]=4 20795 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|0,0,2]=4 20796 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,2,0,0,0,0|1,0,0]=3 20797 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,2,0,0,0,0|1,0,0]=3 20798 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,2,0,0,0,0|1,0,0]=3 20799 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,2,0,0,0,0|2,0,0]=4 20800 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,2,0,0,0,0|2,0,0]=4 20801 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,2,0,0,0,0|2,0,0]=4 20802 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,2,0,0,0,0|2,0,0]=4 20803 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,2,0,0,0,0|1,0,1]=4 20804 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,2,0,0,0,0|1,0,1]=4 20805 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,2,0,0,0,0|1,0,1]=4 20806 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,2,0,0,0,0|1,0,1]=4 20807 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,2,0,0,0,0|1,0,1]=4 20808 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,2,0,0,0,0|0,0,2]=4 20809 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,2,0,0,0,0|0,0,2]=4 20810 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,2,0,0,0,0|1,0,0]=3 20811 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,2,0,0,0,0|1,0,0]=3 20812 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,2,0,0,0,0|1,0,0]=3 20813 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,2,0,0,0,0|1,0,0]=3 20814 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,2,0,0,0,0|2,0,0]=4 20815 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,2,0,0,0,0|2,0,0]=4 20816 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,2,0,0,0,0|2,0,0]=4 20817 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,2,0,0,0,0|2,0,0]=4 20818 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [0,2,0,0,0,0|2,0,0]=4 20819 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [0,2,0,0,0,0|2,0,0]=4 20820 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,2,0,0,0,0|0,0,0]=2 20821 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,2,0,0,0,0|0,0,0]=2 20822 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,2,0,0,0,0|0,0,0]=2 20823 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,2,0,0,0,0|0,0,0]=2 20824 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,2,0,0,0,0|0,0,0]=2 20825 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,2,0,0,0,0|0,0,0]=2 20826 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,2,0,0,0,0|0,0,0]=2 20827 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,2,0,0,0,0|1,0,0]=3 20828 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,2,0,0,0,0|1,0,0]=3 20829 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,2,0,0,0,0|1,0,0]=3 20830 B12R1.27 C[C@@H](CO)COc1ccnnc1 34a_100015204005_100000059175 [0,2,0,0,0,0|2,0,0]=4 20831 B12R1.27 C[C@@H](CO)COc1cncnc1 7a_100000754086_100000059175 [0,2,0,0,0,0|2,0,0]=4 20832 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,2,0,0,0,0|0,0,0]=2 20833 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,2,0,0,0,0|0,0,0]=2 20834 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,2,0,0,0,0|1,0,0]=3 20835 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,2,0,0,0,0|1,0,0]=3 20836 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,2,0,0,0,0|1,0,0]=3 20837 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,2,0,0,0,0|1,0,0]=3 20838 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100000059175_100016991348 [0,2,0,0,0,0|2,0,0]=4 20839 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100016991348_100000059175 [0,2,0,0,0,0|2,0,0]=4 20840 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,2,0,0,0,0|1,0,0]=3 20841 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,2,0,0,0,0|1,0,0]=3 20842 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000059175_100000703185 [0,2,0,0,0,0|2,0,0]=4 20843 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000703185_100000059175 [0,2,0,0,0,0|2,0,0]=4 20844 B12R1.27 C[C@@H](CO)CSc1ccnnc1 62a_100000059175_100000732662 [0,2,0,0,0,0|2,0,0]=4 20845 B12R1.27 C[C@@H](CO)CSc1ccnnc1 62a_100000732662_100000059175 [0,2,0,0,0,0|2,0,0]=4 20846 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000059175_100000211759 [0,2,0,0,0,0|2,0,0]=4 20847 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000211759_100000059175 [0,2,0,0,0,0|2,0,0]=4 20848 B12R1.27 C[C@@H](CO)CSc1cncnc1 62a_100000059175_100011206942 [0,2,0,0,0,0|2,0,0]=4 20849 B12R1.27 C[C@@H](CO)CSc1cncnc1 62a_100011206942_100000059175 [0,2,0,0,0,0|2,0,0]=4 20850 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000059175_100000211032 [0,2,0,0,0,0|2,0,0]=4 20851 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000211032_100000059175 [0,2,0,0,0,0|2,0,0]=4 20852 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,2,0,0,0,0|1,0,0]=3 20853 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,2,0,0,0,0|1,0,0]=3 20854 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,2,0,0,0,0|2,0,0]=4 20855 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,2,0,0,0,0|2,0,0]=4 20856 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,2,0,0,0,0|2,0,0]=4 20857 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,2,0,0,0,0|2,0,0]=4 20858 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,2,0,0,0,0|2,0,0]=4 20859 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,2,0,0,0,0|0,0,0]=2 20860 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,2,0,0,0,0|0,0,0]=2 20861 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,2,0,0,0,0|0,0,0]=2 20862 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,2,0,0,0,0|1,0,0]=3 20863 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,2,0,0,0,0|1,0,0]=3 20864 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,2,0,0,0,0|1,0,0]=3 20865 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,2,0,0,0,0|1,0,0]=3 20866 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,2,0,0,0,0|1,0,0]=3 20867 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,2,0,0,0,0|1,0,0]=3 20868 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,2,0,0,0,0|2,0,0]=4 20869 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,2,0,0,0,0|1,0,0]=3 20870 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,2,0,0,0,0|1,0,0]=3 20871 B12R1.27 C[C@H](CO)NCc1ccnnc1 270004a_100000737577_100011934578 [0,2,0,0,0,0|2,0,0]=4 20872 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,2,0,0,0,0|2,0,0]=4 20873 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,2,0,0,0,0|2,0,0]=4 20874 B12R1.27 C[C@H](CO)NCc1cncnc1 2230a_100000737577_100015196519 [0,2,0,0,0,0|2,0,0]=4 20875 B12R1.27 C[C@H](CO)NCc1cncnc1 270004a_100000737577_100000749868 [0,2,0,0,0,0|2,0,0]=4 20876 B12R1.27 C[C@H](CO)NCc1ncccn1 2230a_100000737577_100000703007 [0,2,0,0,0,0|2,0,0]=4 20877 B12R1.27 C[C@H](CO)NCc1ncccn1 270004a_100000737577_100011532527 [0,2,0,0,0,0|2,0,0]=4 20878 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,2,0,0,0,0|0,0,0]=2 20879 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,2,0,0,0,0|0,0,0]=2 20880 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,2,0,0,0,0|1,0,0]=3 20881 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,2,0,0,0,0|1,0,0]=3 20882 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,2,0,0,0,0|1,0,0]=3 20883 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,2,0,0,0,0|1,0,0]=3 20884 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016084084_100016990269 [0,2,0,0,0,0|2,0,0]=4 20885 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016990269_100016084084 [0,2,0,0,0,0|2,0,0]=4 20886 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,2,0,0,0,0|1,0,0]=3 20887 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,2,0,0,0,0|1,0,0]=3 20888 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016084084_100016995436 [0,2,0,0,0,0|2,0,0]=4 20889 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016995436_100016084084 [0,2,0,0,0,0|2,0,0]=4 20890 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100015196519_100016084084 [0,2,0,0,0,0|2,0,0]=4 20891 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100016084084_100015196519 [0,2,0,0,0,0|2,0,0]=4 20892 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100000703007_100016084084 [0,2,0,0,0,0|2,0,0]=4 20893 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100016084084_100000703007 [0,2,0,0,0,0|2,0,0]=4 20894 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,2,0,0,0,0|1,0,1]=4 20895 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,2,0,0,0,0|1,0,1]=4 20896 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|1,0,0]=3 20897 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,2,0,0,0,0|2,0,0]=4 20898 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,2,0,0,0,0|2,0,0]=4 20899 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,2,0,0,0,0|2,0,0]=4 20900 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,2,0,0,0,0|1,0,1]=4 20901 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,2,0,0,0,0|1,0,1]=4 20902 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|0,0,0]=2 20903 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,2,0,0,0,0|1,0,0]=3 20904 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,2,0,0,0,0|1,0,0]=3 20905 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,2,0,0,0,0|1,0,0]=3 20906 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,2,0,0,0,0|0,0,1]=3 20907 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,2,0,0,0,0|0,0,1]=3 20908 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,2,0,0,0,0|1,0,1]=4 20909 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,2,0,0,0,0|1,0,1]=4 20910 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,2,0,0,0,0|1,0,1]=4 20911 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,2,0,0,0,0|1,0,1]=4 20912 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,2,0,0,0,0|1,0,1]=4 20913 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,2,0,0,0,0|1,0,1]=4 20914 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,2,0,0,0,0|1,0,1]=4 20915 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,2,0,0,0,0|0,0,0]=2 20916 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,2,0,0,0,0|0,0,0]=2 20917 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,2,0,0,0,0|0,0,0]=2 20918 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,2,0,0,0,0|1,0,0]=3 20919 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,2,0,0,0,0|1,0,0]=3 20920 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [0,2,0,0,0,0|1,0,0]=3 20921 B12R1.27 OCC(O)COc1ccnnc1 34a_100015204005_100011219619 [0,2,0,0,0,0|2,0,0]=4 20922 B12R1.27 OCC(O)COc1cncnc1 7a_100000754086_100011219619 [0,2,0,0,0,0|2,0,0]=4 20923 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,2,0,0,0,0|0,0,0]=2 20924 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,2,0,0,0,0|0,0,0]=2 20925 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,2,0,0,0,0|1,0,0]=3 20926 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,2,0,0,0,0|1,0,0]=3 20927 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [0,2,0,0,0,0|1,0,0]=3 20928 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [0,2,0,0,0,0|1,0,0]=3 20929 B12R1.27 OCC(O)CSc1cccnn1 62a_100011219619_100016991348 [0,2,0,0,0,0|2,0,0]=4 20930 B12R1.27 OCC(O)CSc1cccnn1 62a_100016991348_100011219619 [0,2,0,0,0,0|2,0,0]=4 20931 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [0,2,0,0,0,0|1,0,0]=3 20932 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [0,2,0,0,0,0|1,0,0]=3 20933 B12R1.27 OCC(O)CSc1ccncn1 62a_100000703185_100011219619 [0,2,0,0,0,0|2,0,0]=4 20934 B12R1.27 OCC(O)CSc1ccncn1 62a_100011219619_100000703185 [0,2,0,0,0,0|2,0,0]=4 20935 B12R1.27 OCC(O)CSc1ccnnc1 62a_100000732662_100011219619 [0,2,0,0,0,0|2,0,0]=4 20936 B12R1.27 OCC(O)CSc1ccnnc1 62a_100011219619_100000732662 [0,2,0,0,0,0|2,0,0]=4 20937 B12R1.27 OCC(O)CSc1cnccn1 62a_100000211759_100011219619 [0,2,0,0,0,0|2,0,0]=4 20938 B12R1.27 OCC(O)CSc1cnccn1 62a_100011219619_100000211759 [0,2,0,0,0,0|2,0,0]=4 20939 B12R1.27 OCC(O)CSc1cncnc1 62a_100011206942_100011219619 [0,2,0,0,0,0|2,0,0]=4 20940 B12R1.27 OCC(O)CSc1cncnc1 62a_100011219619_100011206942 [0,2,0,0,0,0|2,0,0]=4 20941 B12R1.27 OCC(O)CSc1ncccn1 62a_100000211032_100011219619 [0,2,0,0,0,0|2,0,0]=4 20942 B12R1.27 OCC(O)CSc1ncccn1 62a_100011219619_100000211032 [0,2,0,0,0,0|2,0,0]=4 20943 B12R1.27 OC[C@@H](O)CNc1cccnn1 27a_100020644852_100016991348 [0,2,0,0,0,0|2,0,0]=4 20944 B12R1.27 OC[C@@H](O)CNc1ccncn1 27a_100020644852_100000703185 [0,2,0,0,0,0|2,0,0]=4 20945 B12R1.27 OC[C@@H](O)CNc1cnccn1 27a_100020644852_100000211759 [0,2,0,0,0,0|2,0,0]=4 20946 B12R1.27 OC[C@@H](O)CNc1ncccn1 27a_100020644852_100000211032 [0,2,0,0,0,0|2,0,0]=4 20947 B12R1.27 OC[C@H](F)CNc1cccnn1 27a_100015665980_100016991348 [0,2,0,0,0,0|2,0,0]=4 20948 B12R1.27 OC[C@H](F)CNc1ccncn1 27a_100015665980_100000703185 [0,2,0,0,0,0|2,0,0]=4 20949 B12R1.27 OC[C@H](F)CNc1cnccn1 27a_100015665980_100000211759 [0,2,0,0,0,0|2,0,0]=4 20950 B12R1.27 OC[C@H](F)CNc1ncccn1 27a_100015665980_100000211032 [0,2,0,0,0,0|2,0,0]=4 20951 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,2,0,0,0,0|0,0,0]=2 20952 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,2,0,0,0,0|0,0,0]=2 20953 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,2,0,0,0,0|0,0,0]=2 20954 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,2,0,0,0,0|1,0,0]=3 20955 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,2,0,0,0,0|1,0,0]=3 20956 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [0,2,0,0,0,0|1,0,0]=3 20957 B12R1.27 OC[C@H](O)COc1ccnnc1 34a_100015204005_100009815848 [0,2,0,0,0,0|2,0,0]=4 20958 B12R1.27 OC[C@H](O)COc1cncnc1 7a_100000754086_100009815848 [0,2,0,0,0,0|2,0,0]=4 20959 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,2,0,0,0,0|0,0,0]=2 20960 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,2,0,0,0,0|0,0,0]=2 20961 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,2,0,0,0,0|1,0,0]=3 20962 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,2,0,0,0,0|1,0,0]=3 20963 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [0,2,0,0,0,0|1,0,0]=3 20964 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [0,2,0,0,0,0|1,0,0]=3 20965 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100009815848_100016991348 [0,2,0,0,0,0|2,0,0]=4 20966 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100016991348_100009815848 [0,2,0,0,0,0|2,0,0]=4 20967 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [0,2,0,0,0,0|1,0,0]=3 20968 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [0,2,0,0,0,0|1,0,0]=3 20969 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100000703185_100009815848 [0,2,0,0,0,0|2,0,0]=4 20970 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100009815848_100000703185 [0,2,0,0,0,0|2,0,0]=4 20971 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100000732662_100009815848 [0,2,0,0,0,0|2,0,0]=4 20972 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100009815848_100000732662 [0,2,0,0,0,0|2,0,0]=4 20973 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100000211759_100009815848 [0,2,0,0,0,0|2,0,0]=4 20974 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100009815848_100000211759 [0,2,0,0,0,0|2,0,0]=4 20975 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100009815848_100011206942 [0,2,0,0,0,0|2,0,0]=4 20976 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100011206942_100009815848 [0,2,0,0,0,0|2,0,0]=4 20977 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100000211032_100009815848 [0,2,0,0,0,0|2,0,0]=4 20978 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100009815848_100000211032 [0,2,0,0,0,0|2,0,0]=4 20979 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,2,0,0,0,0|1,0,0]=3 20980 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,2,0,0,0,0|1,0,0]=3 20981 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,2,0,0,0,0|1,0,0]=3 20982 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [0,2,0,0,0,0|2,0,0]=4 20983 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [0,2,0,0,0,0|2,0,0]=4 20984 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [0,2,0,0,0,0|2,0,0]=4 20985 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,2,0,0,0,0|1,0,0]=3 20986 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,2,0,0,0,0|1,0,0]=3 20987 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,2,0,0,0,0|2,0,0]=4 20988 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,2,0,0,0,0|2,0,0]=4 20989 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100000210063_100015614560 [0,2,0,0,0,0|2,0,0]=4 20990 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100015614560_100000210063 [0,2,0,0,0,0|2,0,0]=4 20991 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100000728582_100015614560 [0,2,0,0,0,0|2,0,0]=4 20992 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100015614560_100000728582 [0,2,0,0,0,0|2,0,0]=4 20993 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,2,0,0,0,0|1,0,1]=4 20994 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,2,0,0,0,0|1,0,1]=4 20995 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,2,0,0,0,0|1,0,1]=4 20996 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,2,0,0,0,0|1,0,1]=4 20997 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,2,0,0,0,0|1,0,1]=4 20998 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,2,0,0,0,0|1,0,1]=4 20999 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,2,0,0,0,0|1,0,1]=4 21000 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,2,0,0,0,0|1,0,1]=4 21001 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,2,0,0,0,0|1,0,1]=4 21002 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,2,0,0,0,0|1,0,1]=4 21003 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,2,0,0,0,0|1,0,1]=4 21004 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,2,0,0,0,0|0,0,2]=4 21005 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,2,0,0,0,0|0,0,2]=4 21006 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|1,0,1]=4 21007 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,2,0,0,0,0|1,0,1]=4 21008 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,2,0,0,0,0|1,0,1]=4 21009 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,2,0,0,0,0|1,0,1]=4 21010 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,2,0,0,0,0|1,0,1]=4 21011 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,2,0,0,0,0|1,0,1]=4 21012 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,2,0,0,0,0|1,0,1]=4 21013 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,2,0,0,0,0|1,0,1]=4 21014 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,2,0,0,0,0|1,0,1]=4 21015 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,2,0,0,0,0|1,0,1]=4 21016 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,2,0,0,0,0|1,0,1]=4 21017 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,2,0,0,0,0|1,0,1]=4 21018 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,2,0,0,0,0|1,0,1]=4 21019 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,2,0,0,0,0|0,0,0]=2 21020 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|0,0,0]=2 21021 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|0,0,0]=2 21022 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,2,0,0,0,0|1,0,0]=3 21023 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,2,0,0,0,0|1,0,0]=3 21024 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [0,2,0,0,0,0|1,0,0]=3 21025 B12R1.32 CC(CCO)Oc1ccnnc1 34a_100015204005_100009893172 [0,2,0,0,0,0|2,0,0]=4 21026 B12R1.32 CC(CCO)Oc1cncnc1 7a_100000754086_100009893172 [0,2,0,0,0,0|2,0,0]=4 21027 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,2,0,0,0,0|0,0,0]=2 21028 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,2,0,0,0,0|0,0,0]=2 21029 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,2,0,0,0,0|1,0,0]=3 21030 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,2,0,0,0,0|1,0,0]=3 21031 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,2,0,0,0,0|1,0,0]=3 21032 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,2,0,0,0,0|1,0,0]=3 21033 B12R1.32 CC(CCO)Sc1cccnn1 62a_100009893172_100016991348 [0,2,0,0,0,0|2,0,0]=4 21034 B12R1.32 CC(CCO)Sc1cccnn1 62a_100016991348_100009893172 [0,2,0,0,0,0|2,0,0]=4 21035 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [0,2,0,0,0,0|1,0,0]=3 21036 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [0,2,0,0,0,0|1,0,0]=3 21037 B12R1.32 CC(CCO)Sc1ccncn1 62a_100000703185_100009893172 [0,2,0,0,0,0|2,0,0]=4 21038 B12R1.32 CC(CCO)Sc1ccncn1 62a_100009893172_100000703185 [0,2,0,0,0,0|2,0,0]=4 21039 B12R1.32 CC(CCO)Sc1ccnnc1 62a_100000732662_100009893172 [0,2,0,0,0,0|2,0,0]=4 21040 B12R1.32 CC(CCO)Sc1ccnnc1 62a_100009893172_100000732662 [0,2,0,0,0,0|2,0,0]=4 21041 B12R1.32 CC(CCO)Sc1cnccn1 62a_100000211759_100009893172 [0,2,0,0,0,0|2,0,0]=4 21042 B12R1.32 CC(CCO)Sc1cnccn1 62a_100009893172_100000211759 [0,2,0,0,0,0|2,0,0]=4 21043 B12R1.32 CC(CCO)Sc1cncnc1 62a_100009893172_100011206942 [0,2,0,0,0,0|2,0,0]=4 21044 B12R1.32 CC(CCO)Sc1cncnc1 62a_100011206942_100009893172 [0,2,0,0,0,0|2,0,0]=4 21045 B12R1.32 CC(CCO)Sc1ncccn1 62a_100000211032_100009893172 [0,2,0,0,0,0|2,0,0]=4 21046 B12R1.32 CC(CCO)Sc1ncccn1 62a_100009893172_100000211032 [0,2,0,0,0,0|2,0,0]=4 21047 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|2,0,0]=4 21048 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|2,0,0]=4 21049 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,2,0,0,0,0|0,0,0]=2 21050 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,2,0,0,0,0|0,0,0]=2 21051 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|1,0,0]=3 21052 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|1,0,0]=3 21053 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,2,0,0,0,0|1,0,0]=3 21054 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,2,0,0,0,0|1,0,0]=3 21055 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,2,0,0,0,0|1,0,0]=3 21056 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,2,0,0,0,0|1,0,0]=3 21057 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,2,0,0,0,0|2,0,0]=4 21058 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|1,0,0]=3 21059 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,2,0,0,0,0|2,0,0]=4 21060 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,2,0,0,0,0|2,0,0]=4 21061 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,2,0,0,0,0|2,0,0]=4 21062 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,2,0,0,0,0|2,0,0]=4 21063 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,2,0,0,0,0|2,0,0]=4 21064 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,2,0,0,0,0|1,0,1]=4 21065 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,2,0,0,0,0|1,0,1]=4 21066 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,2,0,0,0,0|1,0,1]=4 21067 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,2,0,0,0,0|1,0,1]=4 21068 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,2,0,0,0,0|1,0,0]=3 21069 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|1,0,0]=3 21070 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|1,0,0]=3 21071 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,2,0,0,0,0|2,0,0]=4 21072 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,2,0,0,0,0|2,0,0]=4 21073 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,2,0,0,0,0|2,0,0]=4 21074 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,2,0,0,0,0|1,0,0]=3 21075 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,2,0,0,0,0|1,0,0]=3 21076 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,2,0,0,0,0|2,0,0]=4 21077 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,2,0,0,0,0|2,0,0]=4 21078 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,2,0,0,0,0|2,0,0]=4 21079 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,2,0,0,0,0|2,0,0]=4 21080 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [0,2,0,0,0,0|2,0,0]=4 21081 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [0,2,0,0,0,0|2,0,0]=4 21082 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,2,0,0,0,0|1,0,0]=3 21083 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,2,0,0,0,0|1,0,0]=3 21084 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,2,0,0,0,0|1,0,0]=3 21085 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,2,0,0,0,0|1,0,0]=3 21086 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,2,0,0,0,0|1,0,0]=3 21087 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,2,0,0,0,0|1,0,0]=3 21088 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,2,0,0,0,0|1,0,0]=3 21089 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,2,0,0,0,0|2,0,0]=4 21090 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,2,0,0,0,0|2,0,0]=4 21091 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,2,0,0,0,0|2,0,0]=4 21092 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,2,0,0,0,0|2,0,0]=4 21093 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,2,0,0,0,0|2,0,0]=4 21094 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,2,0,0,0,0|2,0,0]=4 21095 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,2,0,0,0,0|2,0,0]=4 21096 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,2,0,0,0,0|2,0,0]=4 21097 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,2,0,0,0,0|2,0,0]=4 21098 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,2,0,0,0,0|2,0,0]=4 21099 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,2,0,0,0,0|2,0,0]=4 21100 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,2,0,0,0,0|2,0,0]=4 21101 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,2,0,0,0,0|2,0,0]=4 21102 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,2,0,0,0,0|2,0,0]=4 21103 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,2,0,0,0,0|2,0,0]=4 21104 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,2,0,0,0,0|2,0,0]=4 21105 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,2,0,0,0,0|2,0,0]=4 21106 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,2,0,0,0,0|2,0,0]=4 21107 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,2,0,0,0,0|2,0,0]=4 21108 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,2,0,0,0,0|1,0,0]=3 21109 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,2,0,0,0,0|1,0,0]=3 21110 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,2,0,0,0,0|2,0,0]=4 21111 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,2,0,0,0,0|2,0,0]=4 21112 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,2,0,0,0,0|2,0,0]=4 21113 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,2,0,0,0,0|2,0,0]=4 21114 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,2,0,0,0,0|2,0,0]=4 21115 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,2,0,0,0,0|2,0,0]=4 21116 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,2,0,0,0,0|2,0,0]=4 21117 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,2,0,0,0,0|2,0,0]=4 21118 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,2,0,0,0,0|2,0,0]=4 21119 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,2,0,0,0,0|2,0,0]=4 21120 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,2,0,0,0,0|1,0,0]=3 21121 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,2,0,0,0,0|1,0,0]=3 21122 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,2,0,0,0,0|1,0,0]=3 21123 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,2,0,0,0,0|1,0,0]=3 21124 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,2,0,0,0,0|1,0,0]=3 21125 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,2,0,0,0,0|1,0,1]=4 21126 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,2,0,0,0,0|1,0,1]=4 21127 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,2,0,0,0,0|1,0,1]=4 21128 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,2,0,0,0,0|1,0,1]=4 21129 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|0,0,2]=4 21130 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|0,0,2]=4 21131 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,2,0,0,0,0|1,0,0]=3 21132 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,2,0,0,0,0|1,0,0]=3 21133 B12R1.32 CN(CCF)Cc1ccccn1 2230a_100000207498_100011217306 [0,2,0,0,0,0|2,0,0]=4 21134 B12R1.32 CN(CCF)Cc1ccccn1 269982a_100000207498_100011217306 [0,2,0,0,0,0|2,0,0]=4 21135 B12R1.32 CN(CCF)Cc1cccnc1 2230a_100000184577_100011217306 [0,2,0,0,0,0|2,0,0]=4 21136 B12R1.32 CN(CCF)Cc1cccnc1 269982a_100000184577_100011217306 [0,2,0,0,0,0|2,0,0]=4 21137 B12R1.32 CN(CCF)Cc1ccncc1 2230a_100000187231_100011217306 [0,2,0,0,0,0|2,0,0]=4 21138 B12R1.32 CN(CCF)Cc1ccncc1 269982a_100000187231_100011217306 [0,2,0,0,0,0|2,0,0]=4 21139 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,2,0,0,0,0|0,0,0]=2 21140 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,2,0,0,0,0|0,0,0]=2 21141 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,2,0,0,0,0|0,0,0]=2 21142 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,2,0,0,0,0|0,0,0]=2 21143 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,2,0,0,0,0|0,0,0]=2 21144 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,2,0,0,0,0|0,0,0]=2 21145 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,2,0,0,0,0|0,0,0]=2 21146 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,2,0,0,0,0|1,0,0]=3 21147 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,2,0,0,0,0|1,0,0]=3 21148 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,2,0,0,0,0|1,0,0]=3 21149 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,2,0,0,0,0|1,0,0]=3 21150 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,2,0,0,0,0|1,0,0]=3 21151 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [0,2,0,0,0,0|1,0,0]=3 21152 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [0,2,0,0,0,0|1,0,0]=3 21153 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [0,2,0,0,0,0|1,0,0]=3 21154 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [0,2,0,0,0,0|1,0,0]=3 21155 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [0,2,0,0,0,0|1,0,0]=3 21156 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [0,2,0,0,0,0|1,0,0]=3 21157 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [0,2,0,0,0,0|1,0,0]=3 21158 B12R1.32 CN(CCO)Cc1cccnn1 2230a_100000210263_100016990269 [0,2,0,0,0,0|2,0,0]=4 21159 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000187231_100000211926 [0,2,0,0,0,0|1,0,0]=3 21160 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000210263_100015193705 [0,2,0,0,0,0|1,0,0]=3 21161 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000187231_100000211926 [0,2,0,0,0,0|1,0,0]=3 21162 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000210263_100015193705 [0,2,0,0,0,0|1,0,0]=3 21163 B12R1.32 CN(CCO)Cc1ccnnc1 270004a_100000210263_100011934578 [0,2,0,0,0,0|2,0,0]=4 21164 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100000210263_100016995436 [0,2,0,0,0,0|2,0,0]=4 21165 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100011269079_100000211926 [0,2,0,0,0,0|2,0,0]=4 21166 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100000210263_100016995436 [0,2,0,0,0,0|2,0,0]=4 21167 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100011269079_100000211926 [0,2,0,0,0,0|2,0,0]=4 21168 B12R1.32 CN(CCO)Cc1cnccn1 270004a_100000210263_100000749867 [0,2,0,0,0,0|2,0,0]=4 21169 B12R1.32 CN(CCO)Cc1cncnc1 2230a_100000210263_100015196519 [0,2,0,0,0,0|2,0,0]=4 21170 B12R1.32 CN(CCO)Cc1cncnc1 269982a_100000210263_100016991940 [0,2,0,0,0,0|2,0,0]=4 21171 B12R1.32 CN(CCO)Cc1cncnc1 270004a_100000210263_100000749868 [0,2,0,0,0,0|2,0,0]=4 21172 B12R1.32 CN(CCO)Cc1ncccn1 2230a_100000210263_100000703007 [0,2,0,0,0,0|2,0,0]=4 21173 B12R1.32 CN(CCO)Cc1ncccn1 2230a_100025716638_100000211926 [0,2,0,0,0,0|2,0,0]=4 21174 B12R1.32 CN(CCO)Cc1ncccn1 269982a_100000210263_100000703007 [0,2,0,0,0,0|2,0,0]=4 21175 B12R1.32 CN(CCO)Cc1ncccn1 269982a_100025716638_100000211926 [0,2,0,0,0,0|2,0,0]=4 21176 B12R1.32 CN(CCO)Cc1ncccn1 270004a_100000210263_100011532527 [0,2,0,0,0,0|2,0,0]=4 21177 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,2,0,0,0,0|1,0,1]=4 21178 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,2,0,0,0,0|1,0,1]=4 21179 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|2,0,0]=4 21180 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|2,0,0]=4 21181 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,2,0,0,0,0|1,0,0]=3 21182 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,2,0,0,0,0|1,0,0]=3 21183 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,2,0,0,0,0|1,0,0]=3 21184 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,2,0,0,0,0|1,0,0]=3 21185 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,2,0,0,0,0|0,0,2]=4 21186 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,2,0,0,0,0|0,0,2]=4 21187 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|0,0,1]=3 21188 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,2,0,0,0,0|1,0,1]=4 21189 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,2,0,0,0,0|1,0,1]=4 21190 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,2,0,0,0,0|1,0,1]=4 21191 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 21192 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 21193 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 21194 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,2,0,0,0,0|1,0,1]=4 21195 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,2,0,0,0,0|1,0,1]=4 21196 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,2,0,0,0,0|1,0,1]=4 21197 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,2,0,0,0,0|1,0,1]=4 21198 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,2,0,0,0,0|0,0,0]=2 21199 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,2,0,0,0,0|0,0,0]=2 21200 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,2,0,0,0,0|1,0,0]=3 21201 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|1,0,0]=3 21202 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|1,0,0]=3 21203 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|1,0,0]=3 21204 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|1,0,0]=3 21205 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [0,2,0,0,0,0|2,0,0]=4 21206 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [0,2,0,0,0,0|2,0,0]=4 21207 B12R1.32 COCC(C)Oc1ccncc1 34a_100000212176_100000765312 [0,2,0,0,0,0|2,0,0]=4 21208 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,2,0,0,0,0|1,0,0]=3 21209 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,2,0,0,0,0|1,0,0]=3 21210 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,2,0,0,0,0|2,0,0]=4 21211 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,2,0,0,0,0|2,0,0]=4 21212 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [0,2,0,0,0,0|2,0,0]=4 21213 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [0,2,0,0,0,0|2,0,0]=4 21214 B12R1.32 COCC(C)Sc1ccncc1 62a_100000728582_100000765312 [0,2,0,0,0,0|2,0,0]=4 21215 B12R1.32 COCC(C)Sc1ccncc1 62a_100000765312_100000728582 [0,2,0,0,0,0|2,0,0]=4 21216 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,2,0,0,0,0|0,0,0]=2 21217 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|1,0,0]=3 21218 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|1,0,0]=3 21219 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,2,0,0,0,0|2,0,0]=4 21220 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,2,0,0,0,0|2,0,0]=4 21221 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,2,0,0,0,0|2,0,0]=4 21222 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,2,0,0,0,0|2,0,0]=4 21223 B12R1.32 COCN(C)Cc1ccncc1 2230a_100000187231_100000766300 [0,2,0,0,0,0|2,0,0]=4 21224 B12R1.32 COCN(C)Cc1ccncc1 269982a_100000187231_100000766300 [0,2,0,0,0,0|2,0,0]=4 21225 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,2,0,0,0,0|0,0,0]=2 21226 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,2,0,0,0,0|0,1,1]=4 21227 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,2,0,0,0,0|0,1,1]=4 21228 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,2,0,0,0,0|0,1,1]=4 21229 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,2,0,0,0,0|1,1,0]=4 21230 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,2,0,0,0,0|1,1,0]=4 21231 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,2,0,0,0,0|0,1,0]=3 21232 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,2,0,0,0,0|0,1,0]=3 21233 B12R1.32 C[C@H](CCO)Nc1cccnn1 27a_100000706166_100016991348 [0,2,0,0,0,0|2,0,0]=4 21234 B12R1.32 C[C@H](CCO)Nc1ccncn1 27a_100000706166_100000703185 [0,2,0,0,0,0|2,0,0]=4 21235 B12R1.32 C[C@H](CCO)Nc1cnccn1 27a_100000706166_100000211759 [0,2,0,0,0,0|2,0,0]=4 21236 B12R1.32 C[C@H](CCO)Nc1ncccn1 27a_100000706166_100000211032 [0,2,0,0,0,0|2,0,0]=4 21237 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,2,0,0,0,0|1,0,1]=4 21238 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,2,0,0,0,0|2,0,0]=4 21239 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,2,0,0,0,0|2,0,0]=4 21240 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,2,0,0,0,0|2,0,0]=4 21241 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,2,0,0,0,0|1,0,0]=3 21242 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,2,0,0,0,0|0,0,0]=2 21243 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,2,0,0,0,0|1,0,0]=3 21244 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,2,0,0,0,0|1,0,0]=3 21245 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,2,0,0,0,0|1,0,0]=3 21246 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,2,0,0,0,0|1,0,0]=3 21247 B12R1.32 O=C(CCO)Cc1cccnn1 1458a_100011216618_100016990269 [0,2,0,0,0,0|2,0,0]=4 21248 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,2,0,0,0,0|1,0,0]=3 21249 B12R1.32 O=C(CCO)Cc1cnccn1 1458a_100011216618_100016995436 [0,2,0,0,0,0|2,0,0]=4 21250 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100000721575_100000211926 [0,2,0,0,0,0|2,0,0]=4 21251 B12R1.32 O=C(CCO)Cc1cncnc1 1458a_100011216618_100015196519 [0,2,0,0,0,0|2,0,0]=4 21252 B12R1.32 O=C(CCO)Cc1ncccn1 1458a_100011216618_100000703007 [0,2,0,0,0,0|2,0,0]=4 21253 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,2,0,0,0,0|0,0,1]=3 21254 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,2,0,0,0,0|1,0,1]=4 21255 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,2,0,0,0,0|0,0,0]=2 21256 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,2,0,0,0,0|0,0,0]=2 21257 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [0,2,0,0,0,0|1,0,0]=3 21258 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [0,2,0,0,0,0|1,0,0]=3 21259 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,2,0,0,0,0|1,0,0]=3 21260 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,2,0,0,0,0|1,0,1]=4 21261 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,2,0,0,0,0|0,0,0]=2 21262 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,2,0,0,0,0|0,1,1]=4 21263 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,2,0,0,0,0|0,1,1]=4 21264 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,2,0,0,0,0|0,1,0]=3 21265 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,2,0,0,0,0|0,1,0]=3 21266 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,2,0,0,0,0|1,0,1]=4 21267 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,2,0,0,0,0|1,0,1]=4 21268 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,2,0,0,0,0|1,0,1]=4 21269 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,2,0,0,0,0|1,0,1]=4 21270 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,2,0,0,0,0|1,0,1]=4 21271 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,2,0,0,0,0|1,0,1]=4 21272 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,2,0,0,0,0|1,0,1]=4 21273 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,2,0,0,0,0|1,0,1]=4 21274 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,2,0,0,0,0|1,0,1]=4 21275 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,2,0,0,0,0|1,0,1]=4 21276 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,2,0,0,0,0|1,0,1]=4 21277 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,2,0,0,0,0|1,0,1]=4 21278 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,2,0,0,0,0|1,0,1]=4 21279 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,2,0,0,0,0|1,0,1]=4 21280 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,2,0,0,0,0|1,0,1]=4 21281 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,2,0,0,0,0|1,0,1]=4 21282 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,2,0,0,0,0|1,0,1]=4 21283 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,2,0,0,0,0|1,0,1]=4 21284 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,2,0,0,0,0|1,0,1]=4 21285 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|0,0,1]=3 21286 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|0,0,1]=3 21287 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,2,0,0,0,0|1,0,1]=4 21288 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,2,0,0,0,0|1,0,1]=4 21289 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|0,0,2]=4 21290 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|0,0,2]=4 21291 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|0,0,2]=4 21292 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|0,0,2]=4 21293 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|0,0,2]=4 21294 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|0,0,2]=4 21295 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|0,0,2]=4 21296 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|0,0,2]=4 21297 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|0,0,2]=4 21298 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,2,0,0,0,0|0,0,2]=4 21299 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,2,0,0,0,0|0,0,2]=4 21300 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,2,0,0,0,0|0,0,2]=4 21301 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,2,0,0,0,0|0,0,2]=4 21302 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,2,0,0,0,0|0,0,2]=4 21303 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,2,0,0,0,0|0,0,2]=4 21304 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,2,0,0,0,0|1,0,0]=3 21305 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [0,2,0,0,0,0|2,0,0]=4 21306 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,2,0,0,0,0|2,0,0]=4 21307 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,2,0,0,0,0|1,0,1]=4 21308 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,2,0,0,0,0|1,0,0]=3 21309 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,2,0,0,0,0|1,0,0]=3 21310 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,2,0,0,0,0|1,0,0]=3 21311 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,2,0,0,0,0|2,0,0]=4 21312 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,2,0,0,0,0|2,0,0]=4 21313 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [0,2,0,0,0,0|2,0,0]=4 21314 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,2,0,0,0,0|1,0,0]=3 21315 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,2,0,0,0,0|1,0,0]=3 21316 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [0,2,0,0,0,0|2,0,0]=4 21317 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [0,2,0,0,0,0|2,0,0]=4 21318 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,2,0,0,0,0|2,0,0]=4 21319 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,2,0,0,0,0|2,0,0]=4 21320 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [0,2,0,0,0,0|2,0,0]=4 21321 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [0,2,0,0,0,0|2,0,0]=4 21322 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,2,0,0,0,0|1,0,0]=3 21323 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,2,0,0,0,0|1,0,0]=3 21324 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,2,0,0,0,0|1,0,0]=3 21325 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,2,0,0,0,0|1,0,0]=3 21326 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,2,0,0,0,0|1,0,0]=3 21327 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,2,0,0,0,0|1,0,0]=3 21328 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,2,0,0,0,0|1,0,0]=3 21329 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,2,0,0,0,0|2,0,0]=4 21330 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,2,0,0,0,0|2,0,0]=4 21331 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,2,0,0,0,0|2,0,0]=4 21332 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,2,0,0,0,0|2,0,0]=4 21333 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,2,0,0,0,0|2,0,0]=4 21334 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,2,0,0,0,0|2,0,0]=4 21335 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,2,0,0,0,0|2,0,0]=4 21336 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,2,0,0,0,0|2,0,0]=4 21337 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,2,0,0,0,0|2,0,0]=4 21338 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,2,0,0,0,0|2,0,0]=4 21339 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,2,0,0,0,0|2,0,0]=4 21340 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,2,0,0,0,0|2,0,0]=4 21341 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,2,0,0,0,0|1,0,0]=3 21342 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,2,0,0,0,0|1,0,0]=3 21343 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,2,0,0,0,0|1,0,0]=3 21344 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [0,2,0,0,0,0|2,0,0]=4 21345 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,2,0,0,0,0|2,0,0]=4 21346 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,2,0,0,0,0|1,0,0]=3 21347 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,2,0,0,0,0|1,0,0]=3 21348 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [0,2,0,0,0,0|2,0,0]=4 21349 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [0,2,0,0,0,0|2,0,0]=4 21350 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,2,0,0,0,0|2,0,0]=4 21351 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,2,0,0,0,0|2,0,0]=4 21352 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [0,2,0,0,0,0|2,0,0]=4 21353 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [0,2,0,0,0,0|2,0,0]=4 21354 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,2,0,0,0,0|1,0,0]=3 21355 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,2,0,0,0,0|1,0,0]=3 21356 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,2,0,0,0,0|1,0,0]=3 21357 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,2,0,0,0,0|1,0,0]=3 21358 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,2,0,0,0,0|2,0,0]=4 21359 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,2,0,0,0,0|2,0,0]=4 21360 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,2,0,0,0,0|2,0,0]=4 21361 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,2,0,0,0,0|2,0,0]=4 21362 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,2,0,0,0,0|2,0,0]=4 21363 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,2,0,0,0,0|1,0,0]=3 21364 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,2,0,0,0,0|1,0,0]=3 21365 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,2,0,0,0,0|1,0,0]=3 21366 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [0,2,0,0,0,0|2,0,0]=4 21367 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,2,0,0,0,0|2,0,0]=4 21368 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [0,2,0,0,0,0|2,0,0]=4 21369 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [0,2,0,0,0,0|2,0,0]=4 21370 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,2,0,0,0,0|2,0,0]=4 21371 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [0,2,0,0,0,0|2,0,0]=4 21372 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [0,2,0,0,0,0|2,0,0]=4 21373 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,2,0,0,0,0|1,0,0]=3 21374 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,2,0,0,0,0|1,0,0]=3 21375 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [0,2,0,0,0,0|2,0,0]=4 21376 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [0,2,0,0,0,0|2,0,0]=4 21377 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,2,0,0,0,0|2,0,0]=4 21378 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,2,0,0,0,0|2,0,0]=4 21379 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [0,2,0,0,0,0|2,0,0]=4 21380 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [0,2,0,0,0,0|2,0,0]=4 21381 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [0,2,0,0,0,0|2,0,0]=4 21382 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [0,2,0,0,0,0|2,0,0]=4 21383 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,2,0,0,0,0|1,0,0]=3 21384 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [0,2,0,0,0,0|2,0,0]=4 21385 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,2,0,0,0,0|2,0,0]=4 21386 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,2,0,0,0,0|0,0,0]=2 21387 B12R1.252 CC(O)CCNc1cccnn1 27a_200000755665_100016991348 [0,2,0,0,0,0|2,0,0]=4 21388 B12R1.252 CC(O)CCNc1ccncn1 27a_200000755665_100000703185 [0,2,0,0,0,0|2,0,0]=4 21389 B12R1.252 CC(O)CCNc1cnccn1 27a_200000755665_100000211759 [0,2,0,0,0,0|2,0,0]=4 21390 B12R1.252 CC(O)CCNc1ncccn1 27a_200000755665_100000211032 [0,2,0,0,0,0|2,0,0]=4 21391 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,2,0,0,0,0|0,0,0]=2 21392 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,2,0,0,0,0|0,0,0]=2 21393 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,2,0,0,0,0|1,0,0]=3 21394 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,2,0,0,0,0|1,0,0]=3 21395 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,2,0,0,0,0|1,0,0]=3 21396 B12R1.252 CC(O)CCOc1ccnnc1 34a_100015204005_100012276601 [0,2,0,0,0,0|2,0,0]=4 21397 B12R1.252 CC(O)CCOc1cncnc1 7a_100000754086_100012276601 [0,2,0,0,0,0|2,0,0]=4 21398 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,2,0,0,0,0|0,0,0]=2 21399 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,2,0,0,0,0|0,0,0]=2 21400 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [0,2,0,0,0,0|1,0,0]=3 21401 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [0,2,0,0,0,0|1,0,0]=3 21402 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,2,0,0,0,0|1,0,0]=3 21403 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,2,0,0,0,0|1,0,0]=3 21404 B12R1.252 CC(O)CCSc1cccnn1 62a_100012276601_100016991348 [0,2,0,0,0,0|2,0,0]=4 21405 B12R1.252 CC(O)CCSc1cccnn1 62a_100016991348_100012276601 [0,2,0,0,0,0|2,0,0]=4 21406 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [0,2,0,0,0,0|1,0,0]=3 21407 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [0,2,0,0,0,0|1,0,0]=3 21408 B12R1.252 CC(O)CCSc1ccncn1 62a_100000703185_100012276601 [0,2,0,0,0,0|2,0,0]=4 21409 B12R1.252 CC(O)CCSc1ccncn1 62a_100012276601_100000703185 [0,2,0,0,0,0|2,0,0]=4 21410 B12R1.252 CC(O)CCSc1ccnnc1 62a_100000732662_100012276601 [0,2,0,0,0,0|2,0,0]=4 21411 B12R1.252 CC(O)CCSc1ccnnc1 62a_100012276601_100000732662 [0,2,0,0,0,0|2,0,0]=4 21412 B12R1.252 CC(O)CCSc1cnccn1 62a_100000211759_100012276601 [0,2,0,0,0,0|2,0,0]=4 21413 B12R1.252 CC(O)CCSc1cnccn1 62a_100012276601_100000211759 [0,2,0,0,0,0|2,0,0]=4 21414 B12R1.252 CC(O)CCSc1cncnc1 62a_100011206942_100012276601 [0,2,0,0,0,0|2,0,0]=4 21415 B12R1.252 CC(O)CCSc1cncnc1 62a_100012276601_100011206942 [0,2,0,0,0,0|2,0,0]=4 21416 B12R1.252 CC(O)CCSc1ncccn1 62a_100000211032_100012276601 [0,2,0,0,0,0|2,0,0]=4 21417 B12R1.252 CC(O)CCSc1ncccn1 62a_100012276601_100000211032 [0,2,0,0,0,0|2,0,0]=4 21418 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,2,0,0,0,0|0,0,0]=2 21419 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,2,0,0,0,0|0,0,0]=2 21420 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,2,0,0,0,0|0,0,0]=2 21421 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,2,0,0,0,0|0,0,0]=2 21422 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|0,0,0]=2 21423 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,2,0,0,0,0|0,0,0]=2 21424 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,2,0,0,0,0|1,0,0]=3 21425 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,2,0,0,0,0|1,0,0]=3 21426 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,2,0,0,0,0|1,0,0]=3 21427 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,2,0,0,0,0|1,0,0]=3 21428 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,2,0,0,0,0|1,0,0]=3 21429 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,2,0,0,0,0|1,0,0]=3 21430 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,2,0,0,0,0|1,0,0]=3 21431 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,2,0,0,0,0|1,0,0]=3 21432 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,2,0,0,0,0|2,0,0]=4 21433 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,2,0,0,0,0|2,0,0]=4 21434 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,2,0,0,0,0|2,0,0]=4 21435 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,2,0,0,0,0|1,0,0]=3 21436 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,2,0,0,0,0|1,0,0]=3 21437 B12R1.252 CC(O)CNCc1ccnnc1 270004a_100000210904_100011934578 [0,2,0,0,0,0|2,0,0]=4 21438 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,2,0,0,0,0|2,0,0]=4 21439 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,2,0,0,0,0|2,0,0]=4 21440 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,2,0,0,0,0|2,0,0]=4 21441 B12R1.252 CC(O)CNCc1cncnc1 2230a_100000210904_100015196519 [0,2,0,0,0,0|2,0,0]=4 21442 B12R1.252 CC(O)CNCc1cncnc1 2230a_100011243677_100011218427 [0,2,0,0,0,0|2,0,0]=4 21443 B12R1.252 CC(O)CNCc1cncnc1 270004a_100000210904_100000749868 [0,2,0,0,0,0|2,0,0]=4 21444 B12R1.252 CC(O)CNCc1cncnc1 34a_100000210904_100015196519 [0,2,0,0,0,0|2,0,0]=4 21445 B12R1.252 CC(O)CNCc1ncccn1 2230a_100000210904_100000703007 [0,2,0,0,0,0|2,0,0]=4 21446 B12R1.252 CC(O)CNCc1ncccn1 270004a_100000210904_100011532527 [0,2,0,0,0,0|2,0,0]=4 21447 B12R1.252 CC(O)CNCc1ncccn1 34a_100000210904_100000703007 [0,2,0,0,0,0|2,0,0]=4 21448 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,2,0,0,0,0|0,0,0]=2 21449 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,2,0,0,0,0|0,0,0]=2 21450 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,2,0,0,0,0|0,0,0]=2 21451 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,2,0,0,0,0|0,0,0]=2 21452 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [0,2,0,0,0,0|1,0,0]=3 21453 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [0,2,0,0,0,0|1,0,0]=3 21454 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,2,0,0,0,0|1,0,0]=3 21455 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,2,0,0,0,0|1,0,0]=3 21456 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,2,0,0,0,0|2,0,0]=4 21457 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,2,0,0,0,0|2,0,0]=4 21458 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [0,2,0,0,0,0|1,0,0]=3 21459 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [0,2,0,0,0,0|1,0,0]=3 21460 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,2,0,0,0,0|2,0,0]=4 21461 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,2,0,0,0,0|2,0,0]=4 21462 B12R1.252 CC(O)CSCc1cncnc1 62a_100011218427_100015196519 [0,2,0,0,0,0|2,0,0]=4 21463 B12R1.252 CC(O)CSCc1cncnc1 62a_100015196519_100011218427 [0,2,0,0,0,0|2,0,0]=4 21464 B12R1.252 CC(O)CSCc1ncccn1 62a_100000703007_100011218427 [0,2,0,0,0,0|2,0,0]=4 21465 B12R1.252 CC(O)CSCc1ncccn1 62a_100011218427_100000703007 [0,2,0,0,0,0|2,0,0]=4 21466 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,2,0,0,0,0|1,0,0]=3 21467 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,2,0,0,0,0|1,0,0]=3 21468 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,2,0,0,0,0|1,0,0]=3 21469 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,2,0,0,0,0|1,0,0]=3 21470 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,2,0,0,0,0|2,0,0]=4 21471 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,2,0,0,0,0|2,0,0]=4 21472 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,2,0,0,0,0|2,0,0]=4 21473 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,2,0,0,0,0|2,0,0]=4 21474 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,2,0,0,0,0|2,0,0]=4 21475 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,2,0,0,0,0|2,0,0]=4 21476 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,2,0,0,0,0|2,0,0]=4 21477 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,2,0,0,0,0|2,0,0]=4 21478 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,2,0,0,0,0|2,0,0]=4 21479 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,2,0,0,0,0|2,0,0]=4 21480 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,2,0,0,0,0|2,0,0]=4 21481 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,2,0,0,0,0|2,0,0]=4 21482 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,2,0,0,0,0|1,0,0]=3 21483 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,2,0,0,0,0|1,0,0]=3 21484 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,2,0,0,0,0|2,0,0]=4 21485 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,2,0,0,0,0|2,0,0]=4 21486 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,2,0,0,0,0|1,0,0]=3 21487 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [0,2,0,0,0,0|2,0,0]=4 21488 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,2,0,0,0,0|2,0,0]=4 21489 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,2,0,0,0,0|1,0,0]=3 21490 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,2,0,0,0,0|2,0,0]=4 21491 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,2,0,0,0,0|2,0,0]=4 21492 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,2,0,0,0,0|0,0,0]=2 21493 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,2,0,0,0,0|0,0,0]=2 21494 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,2,0,0,0,0|2,0,0]=4 21495 B12R1.252 C[C@@H](O)CNCc1cncnc1 2230a_100011243677_100009817552 [0,2,0,0,0,0|2,0,0]=4 21496 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,2,0,0,0,0|0,0,0]=2 21497 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,2,0,0,0,0|0,0,0]=2 21498 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,2,0,0,0,0|0,0,0]=2 21499 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,2,0,0,0,0|0,0,0]=2 21500 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [0,2,0,0,0,0|1,0,0]=3 21501 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [0,2,0,0,0,0|1,0,0]=3 21502 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,2,0,0,0,0|1,0,0]=3 21503 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,2,0,0,0,0|1,0,0]=3 21504 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,2,0,0,0,0|2,0,0]=4 21505 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,2,0,0,0,0|2,0,0]=4 21506 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [0,2,0,0,0,0|1,0,0]=3 21507 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [0,2,0,0,0,0|1,0,0]=3 21508 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,2,0,0,0,0|2,0,0]=4 21509 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,2,0,0,0,0|2,0,0]=4 21510 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100009817552_100015196519 [0,2,0,0,0,0|2,0,0]=4 21511 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100015196519_100009817552 [0,2,0,0,0,0|2,0,0]=4 21512 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100000703007_100009817552 [0,2,0,0,0,0|2,0,0]=4 21513 B12R1.252 C[C@@H](O)CSCc1ncccn1 62a_100009817552_100000703007 [0,2,0,0,0,0|2,0,0]=4 21514 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,2,0,0,0,0|1,0,0]=3 21515 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,2,0,0,0,0|1,0,0]=3 21516 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,2,0,0,0,0|1,0,0]=3 21517 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,2,0,0,0,0|1,0,0]=3 21518 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,2,0,0,0,0|1,0,0]=3 21519 B12R1.252 FC(F)CNCc1ccccn1 207a_100000765723_100000209966 [0,2,0,0,0,0|2,0,0]=4 21520 B12R1.252 FC(F)CNCc1ccccn1 270004a_100000765723_100000209966 [0,2,0,0,0,0|2,0,0]=4 21521 B12R1.252 FC(F)CNCc1ccccn1 34a_100000765723_100000721315 [0,2,0,0,0,0|2,0,0]=4 21522 B12R1.252 FC(F)CNCc1cccnc1 207a_100000765723_100000209961 [0,2,0,0,0,0|2,0,0]=4 21523 B12R1.252 FC(F)CNCc1cccnc1 270004a_100000765723_100000209961 [0,2,0,0,0,0|2,0,0]=4 21524 B12R1.252 FC(F)CNCc1cccnc1 34a_100000765723_100000733263 [0,2,0,0,0,0|2,0,0]=4 21525 B12R1.252 FC(F)CNCc1ccncc1 207a_100000765723_100000186114 [0,2,0,0,0,0|2,0,0]=4 21526 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,2,0,0,0,0|1,0,0]=3 21527 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,2,0,0,0,0|1,0,0]=3 21528 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,2,0,0,0,0|1,0,0]=3 21529 B12R1.252 FC(F)COCc1ccccn1 34a_100000743014_100000721315 [0,2,0,0,0,0|2,0,0]=4 21530 B12R1.252 FC(F)COCc1cccnc1 34a_100000743014_100000733263 [0,2,0,0,0,0|2,0,0]=4 21531 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,2,0,0,0,0|1,0,0]=3 21532 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,2,0,0,0,0|1,0,0]=3 21533 B12R1.252 FC(F)CSCc1ccccn1 62a_100000721315_100011934356 [0,2,0,0,0,0|2,0,0]=4 21534 B12R1.252 FC(F)CSCc1ccccn1 62a_100011934356_100000721315 [0,2,0,0,0,0|2,0,0]=4 21535 B12R1.252 FC(F)CSCc1cccnc1 62a_100000741622_100011934356 [0,2,0,0,0,0|2,0,0]=4 21536 B12R1.252 FC(F)CSCc1cccnc1 62a_100011934356_100000741622 [0,2,0,0,0,0|2,0,0]=4 21537 B12R1.252 FC(F)CSCc1ccncc1 62a_100011934356_100015193705 [0,2,0,0,0,0|2,0,0]=4 21538 B12R1.252 FC(F)CSCc1ccncc1 62a_100015193705_100011934356 [0,2,0,0,0,0|2,0,0]=4 21539 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,2,0,0,0,0|0,0,2]=4 21540 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,2,0,0,0,0|0,0,2]=4 21541 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,2,0,0,0,0|0,0,2]=4 21542 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,2,0,0,0,0|0,0,2]=4 21543 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,2,0,0,0,0|0,0,2]=4 21544 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,2,0,0,0,0|0,0,2]=4 21545 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,2,0,0,0,0|0,0,2]=4 21546 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,2,0,0,0,0|0,0,2]=4 21547 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,2,0,0,0,0|0,0,2]=4 21548 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,2,0,0,0,0|0,0,2]=4 21549 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,2,0,0,0,0|0,0,2]=4 21550 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,2,0,0,0,0|0,0,2]=4 21551 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|0,0,1]=3 21552 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,2,0,0,0,0|1,0,1]=4 21553 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,2,0,0,0,0|1,0,1]=4 21554 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,2,0,0,0,0|1,0,1]=4 21555 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,2,0,0,0,0|0,0,2]=4 21556 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,2,0,0,0,0|0,0,2]=4 21557 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,2,0,0,0,0|0,0,2]=4 21558 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,2,0,0,0,0|0,0,2]=4 21559 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,2,0,0,0,0|1,0,1]=4 21560 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,2,0,0,0,0|1,0,1]=4 21561 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,2,0,0,0,0|1,0,1]=4 21562 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|0,0,1]=3 21563 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,2,0,0,0,0|1,0,1]=4 21564 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,2,0,0,0,0|1,0,1]=4 21565 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|0,0,2]=4 21566 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|0,0,2]=4 21567 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|0,0,2]=4 21568 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,2,0,0,0,0|0,0,2]=4 21569 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,2,0,0,0,0|0,0,2]=4 21570 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,2,0,0,0,0|0,0,2]=4 21571 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,2,0,0,0,0|0,0,2]=4 21572 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,2,0,0,0,0|1,0,1]=4 21573 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,2,0,0,0,0|2,0,0]=4 21574 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,2,0,0,0,0|2,0,0]=4 21575 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,2,0,0,0,0|2,0,0]=4 21576 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,2,0,0,0,0|2,0,0]=4 21577 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,2,0,0,0,0|2,0,0]=4 21578 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,2,0,0,0,0|2,0,0]=4 21579 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,2,0,0,0,0|2,0,0]=4 21580 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,2,0,0,0,0|2,0,0]=4 21581 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,2,0,0,0,0|0,0,2]=4 21582 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,2,0,0,0,0|2,0,0]=4 21583 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,2,0,0,0,0|1,0,1]=4 21584 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,2,0,0,0,0|0,0,1]=3 21585 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,2,0,0,0,0|1,0,1]=4 21586 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,2,0,0,0,0|1,0,1]=4 21587 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,2,0,0,0,0|1,0,1]=4 21588 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,2,0,0,0,0|1,0,1]=4 21589 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,2,0,0,0,0|0,0,1]=3 21590 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,2,0,0,0,0|1,0,1]=4 21591 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,2,0,0,0,0|1,0,1]=4 21592 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,2,0,0,0,0|1,0,1]=4 21593 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,2,0,0,0,0|1,0,1]=4 21594 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,2,0,0,0,0|1,0,1]=4 21595 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,2,0,0,0,0|0,0,1]=3 21596 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,2,0,0,0,0|1,0,1]=4 21597 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,2,0,0,0,0|1,0,1]=4 21598 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,2,0,0,0,0|1,0,1]=4 21599 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,2,0,0,0,0|1,0,1]=4 21600 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,2,0,0,0,0|0,0,2]=4 21601 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,2,0,0,0,0|1,0,1]=4 21602 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,2,0,0,0,0|1,0,1]=4 21603 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,2,0,0,0,0|1,0,1]=4 21604 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,2,0,0,0,0|1,0,1]=4 21605 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,2,0,0,0,0|2,0,0]=4 21606 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,2,0,0,0,0|2,0,0]=4 21607 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,2,0,0,0,0|2,0,0]=4 21608 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,2,0,0,0,0|1,0,0]=3 21609 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,2,0,0,0,0|1,0,0]=3 21610 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,2,0,0,0,0|1,0,0]=3 21611 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,2,0,0,0,0|2,0,0]=4 21612 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,2,0,0,0,0|2,0,0]=4 21613 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,2,0,0,0,0|2,0,0]=4 21614 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,2,0,0,0,0|2,0,0]=4 21615 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,2,0,0,0,0|2,0,0]=4 21616 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,2,0,0,0,0|2,0,0]=4 21617 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [0,2,0,0,0,0|2,0,0]=4 21618 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,2,0,0,0,0|1,0,1]=4 21619 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,2,0,0,0,0|1,0,1]=4 21620 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,2,0,0,0,0|0,0,0]=2 21621 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,2,0,0,0,0|1,0,0]=3 21622 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,2,0,0,0,0|1,0,0]=3 21623 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,2,0,0,0,0|1,0,0]=3 21624 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,2,0,0,0,0|1,0,0]=3 21625 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,2,0,0,0,0|1,0,1]=4 21626 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,2,0,0,0,0|1,0,1]=4 21627 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,2,0,0,0,0|1,0,1]=4 21628 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,2,0,0,0,0|0,0,0]=2 21629 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,2,0,0,0,0|1,0,0]=3 21630 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,2,0,0,0,0|1,0,0]=3 21631 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,2,0,0,0,0|1,0,0]=3 21632 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,2,0,0,0,0|1,0,0]=3 21633 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,2,0,0,0,0|1,0,1]=4 21634 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,2,0,0,0,0|1,0,1]=4 21635 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,2,0,0,0,0|2,0,0]=4 21636 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,2,0,0,0,0|2,0,0]=4 21637 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [0,2,0,0,0,0|2,0,0]=4 21638 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [0,2,0,0,0,0|2,0,0]=4 21639 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,2,0,0,0,0|2,0,0]=4 21640 B12R1.194 OCC(F)(F)Sc1ccccc1 62a_100000719477_100011217949 [0,2,0,0,0,0|1,0,0]=3 21641 B12R1.194 OCC(F)(F)Sc1ccccc1 62a_100011217949_100000041952 [0,2,0,0,0,0|1,0,0]=3 21642 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011216584_100011217949 [0,2,0,0,0,0|2,0,0]=4 21643 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011217949_100011216584 [0,2,0,0,0,0|2,0,0]=4 21644 B12R1.194 OCC(F)(F)Sc1cccnc1 62a_100000210063_100011217949 [0,2,0,0,0,0|2,0,0]=4 21645 B12R1.194 OCC(F)(F)Sc1cccnc1 62a_100011217949_100000210063 [0,2,0,0,0,0|2,0,0]=4 21646 B12R1.194 OCC(F)(F)Sc1ccncc1 62a_100000728582_100011217949 [0,2,0,0,0,0|2,0,0]=4 21647 B12R1.194 OCC(F)(F)Sc1ccncc1 62a_100011217949_100000728582 [0,2,0,0,0,0|2,0,0]=4 21648 B12R1.891 CC(C)(C)CNc1ccccc1 34a_100000106764_100011219605 [0,2,0,0,0,0|2,0,0]=4 21649 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,2,0,0,0,0|2,0,0]=4 21650 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100000719477_100011219605 [0,2,0,0,0,0|2,0,0]=4 21651 B12R1.891 CC(C)(C)CSc1ccccc1 62a_100011219605_100000041952 [0,2,0,0,0,0|2,0,0]=4 21652 B12R1.891 CC(C)(C)NCc1ccccc1 207a_100000715429_100015611070 [0,2,0,0,0,0|2,0,0]=4 21653 B12R1.891 CC(C)(C)NCc1ccccc1 2230a_100000715429_100015291786 [0,2,0,0,0,0|2,0,0]=4 21654 B12R1.891 CC(C)(C)NCc1ccccc1 34a_100015324214_100000210625 [0,2,0,0,0,0|2,0,0]=4 21655 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100000210790_100000210625 [0,2,0,0,0,0|2,0,0]=4 21656 B12R1.891 CC(C)(C)OCc1ccccc1 34a_100015890283_100015291786 [0,2,0,0,0,0|2,0,0]=4 21657 B12R1.891 CC(C)(C)OCc1ccccc1 7a_100015890283_100000211182 [0,2,0,0,0,0|2,0,0]=4 21658 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211182_100000211941 [0,2,0,0,0,0|2,0,0]=4 21659 B12R1.891 CC(C)(C)SCc1ccccc1 62a_100000211941_100015291786 [0,2,0,0,0,0|2,0,0]=4 21660 B12R1.891 CC(C)(F)CNc1ccccc1 34a_100000106764_100011997219 [0,2,0,0,0,0|2,0,0]=4 21661 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,2,0,0,0,0|2,0,0]=4 21662 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100000719477_100011997219 [0,2,0,0,0,0|2,0,0]=4 21663 B12R1.891 CC(C)(F)CSc1ccccc1 62a_100011997219_100000041952 [0,2,0,0,0,0|2,0,0]=4 21664 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [0,2,0,0,0,0|0,0,2]=4 21665 B12R1.891 CC(C)(O)CNc1ccccc1 34a_100000106764_100000764493 [0,2,0,0,0,0|1,0,0]=3 21666 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,2,0,0,0,0|1,0,0]=3 21667 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,2,0,0,0,0|1,0,0]=3 21668 B12R1.891 CC(C)(O)COc1cccnc1 34a_100000210849_100000764493 [0,2,0,0,0,0|2,0,0]=4 21669 B12R1.891 CC(C)(O)COc1cccnc1 7a_100000210849_100000764493 [0,2,0,0,0,0|2,0,0]=4 21670 B12R1.891 CC(C)(O)COc1ccncc1 34a_100000212176_100000764493 [0,2,0,0,0,0|2,0,0]=4 21671 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000719477_100000764493 [0,2,0,0,0,0|1,0,0]=3 21672 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000764493_100000041952 [0,2,0,0,0,0|1,0,0]=3 21673 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100000764493_100011216584 [0,2,0,0,0,0|2,0,0]=4 21674 B12R1.891 CC(C)(O)CSc1ccccn1 62a_100011216584_100000764493 [0,2,0,0,0,0|2,0,0]=4 21675 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000210063_100000764493 [0,2,0,0,0,0|2,0,0]=4 21676 B12R1.891 CC(C)(O)CSc1cccnc1 62a_100000764493_100000210063 [0,2,0,0,0,0|2,0,0]=4 21677 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000728582_100000764493 [0,2,0,0,0,0|2,0,0]=4 21678 B12R1.891 CC(C)(O)CSc1ccncc1 62a_100000764493_100000728582 [0,2,0,0,0,0|2,0,0]=4 21679 B12R1.891 FC(F)(F)CSc1ccccc1 62a_100000719477_100000763148 [0,2,0,0,0,0|2,0,0]=4 21680 B12R1.891 FC(F)(F)CSc1ccccc1 62a_100000763148_100000041952 [0,2,0,0,0,0|2,0,0]=4 21681 B12R1.891 FC(F)(F)NCc1ccccc1 34a_100015324214_200103152311 [0,2,0,0,0,0|2,0,0]=4 21682 B12R1.891 FC(F)(F)OCc1ccccc1 34a_100000210790_200103152311 [0,2,0,0,0,0|2,0,0]=4 21683 B12R1.891 FC(F)(F)OCc1ccccc1 7a_100000210790_200000243211 [0,2,0,0,0,0|2,0,0]=4 21684 B12R1.891 FC(F)(F)SCc1ccccc1 62a_100000211182_200103152311 [0,2,0,0,0,0|2,0,0]=4 21685 B12R1.891 FC(F)(F)SCc1ccccc1 62a_200000243211_100015291786 [0,2,0,0,0,0|2,0,0]=4 21686 B10R1.178 C=CC=CC(=O)C1CCC1 1458a_100016291481_100000749161 [0,0,1,1,0,0|2,0,0]=4 21687 B10R1.180 C=CC=CC(=O)CC1CC1 1458a_100016291481_100000742324 [0,0,1,1,0,0|2,0,0]=4 21688 B10R1.180 C=CC=CC(=O)CC1CO1 1458a_100016291481_100011216344 [0,0,1,1,0,0|1,0,0]=3 21689 B10R1.180 C=CC=CC(=O)CC1CS1 1458a_100016291481_100000031435 [0,0,1,1,0,0|1,1,0]=4 21690 B10R1.180 C=CC=CC(=O)C[C@@H]1CO1 1458a_100016291481_100000745022 [0,0,1,1,0,0|1,0,0]=3 21691 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,1,1,0,0|0,0,2]=4 21692 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [0,0,1,1,0,0|1,0,1]=4 21693 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [1,0,0,1,0,0|1,0,0]=3 21694 B10R2.6 c1cc(cnn1)C2CC2 271570a_100011220607_100000732662 [1,0,0,1,0,0|2,0,0]=4 21695 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [1,0,0,1,0,0|2,0,0]=4 21696 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|0,0,0]=2 21697 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|1,0,0]=3 21698 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [1,0,0,1,0,0|2,0,0]=4 21699 B10R2.6 c1cnc(nc1)C2CC2 271570a_100011220607_100000211032 [1,0,0,1,0,0|2,0,0]=4 21700 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|1,0,0]=3 21701 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [1,0,0,1,0,0|2,0,0]=4 21702 B10R2.6 c1ncc(cn1)C2CC2 271570a_100011220607_100011206942 [1,0,0,1,0,0|2,0,0]=4 21703 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,1,0,1,0,0|2,0,0]=4 21704 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,1,0,1,0,0|2,0,0]=4 21705 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,1,0,1,0,0|2,0,0]=4 21706 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [0,1,0,1,0,0|1,0,0]=3 21707 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [0,1,0,1,0,0|1,0,0]=3 21708 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|0,0,0]=2 21709 B12R2.24 Oc1ccc2c(c1)CCNC2 271570a_203496583355_100000686056 [0,1,0,1,0,0|2,0,0]=4 21710 B12R2.24 Oc1ccc2c(c1)CNCC2 271570a_203496583355_100015189961 [0,1,0,1,0,0|2,0,0]=4 21711 B12R2.24 Oc1ccc2c(c1)COCC2 271570a_203496583355_100010128096 [0,1,0,1,0,0|2,0,0]=4 21712 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [0,1,0,1,0,0|1,0,0]=3 21713 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|1,0,0]=3 21714 B12R2.24 Oc1ccc2c(c1)NCCS2 271570a_203496583355_100013243616 [0,1,0,1,0,0|1,1,0]=4 21715 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|0,0,0]=2 21716 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|1,0,0]=3 21717 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,1,0,1,0,0|1,0,0]=3 21718 B12R2.24 Oc1ccc2c(n1)CCCC2 271570a_203496583355_100000046135 [0,1,0,1,0,0|2,0,0]=4 21719 B12R2.24 Oc1ccc2c(n1)CCCN2 271570a_203496583355_100010277722 [0,1,0,1,0,0|2,0,0]=4 21720 B12R2.24 Oc1ccc2c(n1)NCCC2 271570a_203496583355_100009952728 [0,1,0,1,0,0|2,0,0]=4 21721 B12R2.24 Oc1ccc2c(n1)NCCO2 271570a_203496583355_100010209492 [0,1,0,1,0,0|2,0,0]=4 21722 B12R2.24 Oc1cnc2c(c1)CCCC2 271570a_203496583355_100010236098 [0,1,0,1,0,0|2,0,0]=4 21723 B12R2.24 Oc1cnc2c(c1)CCCO2 271570a_203496583355_100010109689 [0,1,0,1,0,0|1,0,0]=3 21724 B12R2.24 Oc1cnc2c(c1)NCCO2 271570a_203496583355_100000700286 [0,1,0,1,0,0|2,0,0]=4 21725 B12R2.24 Oc1cnc2c(c1)OCCN2 271570a_203496583355_100009816924 [0,1,0,1,0,0|2,0,0]=4 21726 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,1,0,1,0,0|2,0,0]=4 21727 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,1,0,1,0,0|2,0,0]=4 21728 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,1,0,1,0,0|2,0,0]=4 21729 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,1,0,1,0,0|1,0,0]=3 21730 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [0,1,0,1,0,0|1,0,0]=3 21731 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|0,0,2]=4 21732 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|0,0,0]=2 21733 B12R2.294 Brc1ccc(cc1)NC2CC2 34a_100000210018_100000211595 [0,1,0,1,0,0|2,0,0]=4 21734 B12R2.294 Brc1ccc(cc1)OC2CC2 34a_100000185759_100000211595 [0,1,0,1,0,0|2,0,0]=4 21735 B12R2.294 Brc1ccc(cc1)SC2CC2 62a_100000752885_100000211595 [0,1,0,1,0,0|2,0,0]=4 21736 B12R2.294 Cc1ccc(cc1)NC2CC2 34a_100000124888_100000211595 [0,1,0,1,0,0|2,0,0]=4 21737 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,1,0,1,0,0|2,0,0]=4 21738 B12R2.294 Cc1ccc(cc1)SC2CC2 62a_100000186775_100000211595 [0,1,0,1,0,0|2,0,0]=4 21739 B12R2.294 Clc1ccc(cc1)NC2CC2 34a_100000210052_100000211595 [0,1,0,1,0,0|2,0,0]=4 21740 B12R2.294 Clc1ccc(cc1)OC2CC2 34a_100000210216_100000211595 [0,1,0,1,0,0|2,0,0]=4 21741 B12R2.294 Clc1ccc(cc1)SC2CC2 62a_100000755918_100000211595 [0,1,0,1,0,0|2,0,0]=4 21742 B12R2.294 Fc1ccc(cc1)NC2CC2 34a_100000185862_100000211595 [0,1,0,1,0,0|2,0,0]=4 21743 B12R2.294 Fc1ccc(cc1)OC2CC2 34a_100000210339_100000211595 [0,1,0,1,0,0|2,0,0]=4 21744 B12R2.294 Fc1ccc(cc1)SC2CC2 62a_100000211213_100000211595 [0,1,0,1,0,0|2,0,0]=4 21745 B12R2.294 Ic1ccc(cc1)NC2CC2 34a_100000185761_100000211595 [0,1,0,1,0,0|2,0,0]=4 21746 B12R2.294 Ic1ccc(cc1)OC2CC2 34a_100000212066_100000211595 [0,1,0,1,0,0|2,0,0]=4 21747 B12R2.294 Nc1ccc(cc1)OC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|2,0,0]=4 21748 B12R2.294 Nc1ccc(cc1)SC2CC2 62a_100000185761_100000211595 [0,1,0,1,0,0|2,0,0]=4 21749 B12R2.294 Oc1ccc(cc1)NC2CC2 34a_100000185829_100000211595 [0,1,0,1,0,0|2,0,0]=4 21750 B12R2.294 Oc1ccc(cc1)OC2CC2 271570a_203496583355_100000704264 [0,1,0,1,0,0|2,0,0]=4 21751 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,1,0,1,0,0|1,0,0]=3 21752 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,1,0,1,0,0|2,0,0]=4 21753 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|1,0,0]=3 21754 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,1,0,1,0,0|2,0,0]=4 21755 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,1,0,1,0,0|2,0,0]=4 21756 B12R2.2 C1=C(CCC1)c2ccncc2 271570a_100000089523_100000035832 [0,1,0,1,0,0|2,0,0]=4 21757 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|0,0,1]=3 21758 B12R2.2 C1=C(CCO1)c2ccccn2 271570a_100000118173_100011216584 [0,1,0,1,0,0|1,0,1]=4 21759 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [0,1,0,1,0,0|1,0,1]=4 21760 B12R2.2 C1=C(CCO1)c2ccncc2 271570a_100000118173_100000035832 [0,1,0,1,0,0|1,0,1]=4 21761 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,1,0,1,0,0|0,0,2]=4 21762 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 21763 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 21764 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 21765 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 21766 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,1,0,1,0,0|1,0,0]=3 21767 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,1,0,1,0,0|1,0,0]=3 21768 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,1,0,1,0,0|0,0,0]=2 21769 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,1,0,1,0,0|0,0,0]=2 21770 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,1,0,1,0,0|1,0,0]=3 21771 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,1,0,1,0,0|1,0,0]=3 21772 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,1,0,1,0,0|0,0,0]=2 21773 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,1,0,1,0,0|0,0,0]=2 21774 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,1,0,1,0,0|1,0,0]=3 21775 B12R2.1081 Oc1cccc2c1CCCN2 271570a_203496583355_100010196365 [0,1,0,1,0,0|1,0,0]=3 21776 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|0,0,0]=2 21777 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,1,0,1,0,0|2,0,0]=4 21778 B12R2.1081 Oc1cccc2c1CCNC2 271570a_203496583355_100000756787 [0,1,0,1,0,0|2,0,0]=4 21779 B12R2.1081 Oc1cccc2c1CNCC2 271570a_203496583355_100000687140 [0,1,0,1,0,0|2,0,0]=4 21780 B12R2.1081 Oc1cccc2c1NCCO2 271570a_203496583355_100015018771 [0,1,0,1,0,0|1,0,0]=3 21781 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|0,0,0]=2 21782 B12R2.1081 Oc1cccc2c1OCCN2 271570a_203496583355_100000726803 [0,1,0,1,0,0|1,0,0]=3 21783 B12R2.1081 Oc1cccc2c1OCCO2 271570a_203496583355_100009815980 [0,1,0,1,0,0|1,0,0]=3 21784 B12R2.1081 Oc1nccc2c1NCCO2 271570a_203496583355_100009829486 [0,1,0,1,0,0|2,0,0]=4 21785 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,1,0,1,0,0|1,0,1]=4 21786 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [0,1,0,1,0,0|2,0,0]=4 21787 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [0,1,0,1,0,0|2,0,0]=4 21788 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [0,1,0,1,0,0|2,0,0]=4 21789 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [0,1,0,1,0,0|2,0,0]=4 21790 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [0,1,0,1,0,0|2,0,0]=4 21791 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,1,0,1,0,0|2,0,0]=4 21792 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,1,0,1,0,0|2,0,0]=4 21793 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,1,0,1,0,0|2,0,0]=4 21794 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,1,0,1,0,0|2,0,0]=4 21795 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,1,0,1,0,0|2,0,0]=4 21796 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,1,0,1,0,0|2,0,0]=4 21797 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,1,0,1,0,0|2,0,0]=4 21798 B12R2.32 FCN1Cc2ccccc2C1 269982a_100000752595_100015361967 [0,1,0,1,0,0|2,0,0]=4 21799 B12R2.32 FCN1Cc2ccccc2C1 34a_100000752595_100015361967 [0,1,0,1,0,0|2,0,0]=4 21800 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,1,0,1,0,0|2,0,0]=4 21801 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,1,0,1,0,0|2,0,0]=4 21802 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,1,0,1,0,0|2,0,0]=4 21803 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,1,0,1,0,0|2,0,0]=4 21804 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,1,0,1,0,0|1,0,0]=3 21805 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|2,0,0]=4 21806 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|0,0,2]=4 21807 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,1,0,0|0,0,0]=2 21808 B12R2.196 Oc1ccnc2c1CCC2O 271570a_203496583355_100009868430 [0,1,0,1,0,0|1,0,0]=3 21809 B12R2.225 Brc1ccccc1NC2CC2 34a_100000210017_100000211595 [0,1,0,1,0,0|2,0,0]=4 21810 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,1,0,1,0,0|2,0,0]=4 21811 B12R2.225 Brc1ccccc1SC2CC2 62a_100000695589_100000211595 [0,1,0,1,0,0|2,0,0]=4 21812 B12R2.225 Cc1ccccc1NC2CC2 34a_100015192222_100000211595 [0,1,0,1,0,0|2,0,0]=4 21813 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,1,0,1,0,0|2,0,0]=4 21814 B12R2.225 Cc1ccccc1SC2CC2 62a_100000210755_100000211595 [0,1,0,1,0,0|2,0,0]=4 21815 B12R2.225 Clc1ccccc1NC2CC2 34a_100000185783_100000211595 [0,1,0,1,0,0|2,0,0]=4 21816 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,1,0,1,0,0|2,0,0]=4 21817 B12R2.225 Clc1ccccc1SC2CC2 62a_100000764095_100000211595 [0,1,0,1,0,0|2,0,0]=4 21818 B12R2.225 Fc1ccccc1NC2CC2 34a_100000210422_100000211595 [0,1,0,1,0,0|2,0,0]=4 21819 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,1,0,1,0,0|2,0,0]=4 21820 B12R2.225 Fc1ccccc1SC2CC2 62a_100011215700_100000211595 [0,1,0,1,0,0|2,0,0]=4 21821 B12R2.225 Ic1ccccc1NC2CC2 34a_100000210053_100000211595 [0,1,0,1,0,0|2,0,0]=4 21822 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,1,0,1,0,0|2,0,0]=4 21823 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|2,0,0]=4 21824 B12R2.225 Nc1ccccc1SC2CC2 62a_100000210017_100000211595 [0,1,0,1,0,0|2,0,0]=4 21825 B12R2.225 Oc1ccccc1NC2CC2 34a_100000185747_100000211595 [0,1,0,1,0,0|2,0,0]=4 21826 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,1,0,1,0,0|2,0,0]=4 21827 B12R2.225 Oc1ccccc1SC2CC2 62a_100000739446_100000211595 [0,1,0,1,0,0|2,0,0]=4 21828 B12R2.203 NC1CCc2c1c(ccc2)O 271570a_203496583355_100103168669 [0,1,0,1,0,0|1,0,0]=3 21829 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|0,0,2]=4 21830 B12R2.203 Oc1cccc2c1C(CS2)O 271570a_203496583355_200010991195 [0,1,0,1,0,0|1,0,0]=3 21831 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [0,1,0,1,0,0|2,0,0]=4 21832 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,1,0,1,0,0|1,0,0]=3 21833 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|2,0,0]=4 21834 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|0,0,2]=4 21835 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|0,0,0]=2 21836 B12R2.1286 Brc1cccc(c1)NC2CC2 34a_100000210019_100000211595 [0,1,0,1,0,0|2,0,0]=4 21837 B12R2.1286 Brc1cccc(c1)OC2CC2 34a_100000210342_100000211595 [0,1,0,1,0,0|2,0,0]=4 21838 B12R2.1286 Brc1cccc(c1)SC2CC2 62a_100000691529_100000211595 [0,1,0,1,0,0|2,0,0]=4 21839 B12R2.1286 Cc1cccc(c1)NC2CC2 34a_100000188690_100000211595 [0,1,0,1,0,0|2,0,0]=4 21840 B12R2.1286 Cc1cccc(c1)OC2CC2 34a_100000210337_100000211595 [0,1,0,1,0,0|2,0,0]=4 21841 B12R2.1286 Cc1cccc(c1)SC2CC2 62a_100011215228_100000211595 [0,1,0,1,0,0|2,0,0]=4 21842 B12R2.1286 Clc1cccc(c1)NC2CC2 34a_100000185859_100000211595 [0,1,0,1,0,0|2,0,0]=4 21843 B12R2.1286 Clc1cccc(c1)OC2CC2 34a_100000210295_100000211595 [0,1,0,1,0,0|2,0,0]=4 21844 B12R2.1286 Clc1cccc(c1)SC2CC2 62a_100000699651_100000211595 [0,1,0,1,0,0|2,0,0]=4 21845 B12R2.1286 Fc1cccc(c1)NC2CC2 34a_100000210047_100000211595 [0,1,0,1,0,0|2,0,0]=4 21846 B12R2.1286 Fc1cccc(c1)OC2CC2 34a_100000210426_100000211595 [0,1,0,1,0,0|2,0,0]=4 21847 B12R2.1286 Fc1cccc(c1)SC2CC2 62a_100000685547_100000211595 [0,1,0,1,0,0|2,0,0]=4 21848 B12R2.1286 Ic1cccc(c1)NC2CC2 34a_100000211102_100000211595 [0,1,0,1,0,0|2,0,0]=4 21849 B12R2.1286 Ic1cccc(c1)OC2CC2 34a_100000211634_100000211595 [0,1,0,1,0,0|2,0,0]=4 21850 B12R2.1286 Nc1cccc(c1)OC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|2,0,0]=4 21851 B12R2.1286 Nc1cccc(c1)SC2CC2 62a_100000210019_100000211595 [0,1,0,1,0,0|2,0,0]=4 21852 B12R2.1286 Oc1cccc(c1)NC2CC2 34a_100000210217_100000211595 [0,1,0,1,0,0|2,0,0]=4 21853 B12R2.1286 Oc1cccc(c1)OC2CC2 271570a_203496583355_100012344912 [0,1,0,1,0,0|2,0,0]=4 21854 B12R2.1286 Oc1cccc(c1)SC2CC2 271570a_203496583355_200010157562 [0,1,0,1,0,0|2,0,0]=4 21855 B12R2.1286 [S]c1cccc(c1)SC2CC2 62a_114929384022_100000211595 [0,1,0,1,0,0|2,0,0]=4 21856 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|1,0,0]=3 21857 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|1,0,0]=3 21858 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|2,0,0]=4 21859 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 21860 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 21861 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|0,0,0]=2 21862 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|0,0,0]=2 21863 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|0,1,0]=3 21864 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|2,0,0]=4 21865 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 21866 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 21867 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|0,0,0]=2 21868 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|0,0,0]=2 21869 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|0,1,0]=3 21870 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 21871 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 21872 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 21873 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 21874 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 21875 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 21876 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,1,0,1,0,0|1,0,0]=3 21877 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,1,0,1,0,0|1,0,0]=3 21878 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,1,0,1,0,0|1,0,0]=3 21879 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,1,0,1,0,0|1,0,0]=3 21880 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [0,1,0,1,0,0|1,0,1]=4 21881 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,1,0,1,0,0|1,0,1]=4 21882 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [0,1,0,1,0,0|2,0,0]=4 21883 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [0,1,0,1,0,0|2,0,0]=4 21884 B12R2.2057 c1cc(ccn1)OCC2CO2 34a_100000212176_102125554688 [0,1,0,1,0,0|1,0,0]=3 21885 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000728582_100000742324 [0,1,0,1,0,0|2,0,0]=4 21886 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000756562_100000728582 [0,1,0,1,0,0|2,0,0]=4 21887 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_100000728582_102125554688 [0,1,0,1,0,0|1,0,0]=3 21888 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_102125554688_100000728582 [0,1,0,1,0,0|1,0,0]=3 21889 B12R2.2057 c1cc(ccn1)SCC2CS2 62a_100000031435_100000728582 [0,1,0,1,0,0|1,1,0]=4 21890 B12R2.2057 c1cc(ccn1)SCC2CS2 62a_100000728582_100000031435 [0,1,0,1,0,0|1,1,0]=4 21891 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000728582_100000745022 [0,1,0,1,0,0|1,0,0]=3 21892 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000728582 [0,1,0,1,0,0|1,0,0]=3 21893 B12R2.2057 c1cc(cnn1)OCC2CO2 34a_100015204005_102125554688 [0,1,0,1,0,0|2,0,0]=4 21894 B12R2.2057 c1cc(cnn1)SCC2CO2 62a_100000732662_102125554688 [0,1,0,1,0,0|2,0,0]=4 21895 B12R2.2057 c1cc(cnn1)SCC2CO2 62a_102125554688_100000732662 [0,1,0,1,0,0|2,0,0]=4 21896 B12R2.2057 c1cc(cnn1)SC[C@@H]2CO2 62a_100000732662_100000745022 [0,1,0,1,0,0|2,0,0]=4 21897 B12R2.2057 c1cc(cnn1)SC[C@@H]2CO2 62a_100000745022_100000732662 [0,1,0,1,0,0|2,0,0]=4 21898 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_100000703185_102125554688 [0,1,0,1,0,0|2,0,0]=4 21899 B12R2.2057 c1cc(ncn1)SCC2CO2 62a_102125554688_100000703185 [0,1,0,1,0,0|2,0,0]=4 21900 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000703185_100000745022 [0,1,0,1,0,0|2,0,0]=4 21901 B12R2.2057 c1cc(ncn1)SC[C@@H]2CO2 62a_100000745022_100000703185 [0,1,0,1,0,0|2,0,0]=4 21902 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,1,0,1,0,0|1,0,0]=3 21903 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,1,0,1,0,0|1,0,0]=3 21904 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,1,0,1,0,0|1,0,0]=3 21905 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,1,0,1,0,0|1,0,0]=3 21906 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,1,0,1,0,0|1,0,0]=3 21907 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,1,0,1,0,0|0,0,0]=2 21908 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,1,0,1,0,0|1,0,0]=3 21909 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,1,0,1,0,0|1,0,0]=3 21910 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,1,0,1,0,0|0,0,0]=2 21911 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,1,0,1,0,0|0,0,0]=2 21912 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,1,0,1,0,0|0,1,0]=3 21913 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,1,0,1,0,0|0,0,0]=2 21914 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,1,0,1,0,0|1,0,0]=3 21915 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,1,0,1,0,0|1,0,0]=3 21916 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,1,0,1,0,0|0,0,0]=2 21917 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,1,0,1,0,0|0,0,0]=2 21918 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,1,0,1,0,0|0,1,0]=3 21919 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,1,0,1,0,0|0,1,0]=3 21920 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,1,0,1,0,0|0,0,0]=2 21921 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,1,0,1,0,0|0,0,0]=2 21922 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,1,0,1,0,0|2,0,0]=4 21923 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [0,1,0,1,0,0|2,0,0]=4 21924 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [0,1,0,1,0,0|2,0,0]=4 21925 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [0,1,0,1,0,0|2,0,0]=4 21926 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [0,1,0,1,0,0|1,0,0]=3 21927 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [0,1,0,1,0,0|1,0,0]=3 21928 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100000031435_100011216584 [0,1,0,1,0,0|1,1,0]=4 21929 B12R2.2057 c1ccc(nc1)SCC2CS2 62a_100011216584_100000031435 [0,1,0,1,0,0|1,1,0]=4 21930 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [0,1,0,1,0,0|1,0,0]=3 21931 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [0,1,0,1,0,0|1,0,0]=3 21932 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_100000211759_102125554688 [0,1,0,1,0,0|2,0,0]=4 21933 B12R2.2057 c1cnc(cn1)SCC2CO2 62a_102125554688_100000211759 [0,1,0,1,0,0|2,0,0]=4 21934 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000211759_100000745022 [0,1,0,1,0,0|2,0,0]=4 21935 B12R2.2057 c1cnc(cn1)SC[C@@H]2CO2 62a_100000745022_100000211759 [0,1,0,1,0,0|2,0,0]=4 21936 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_100000211032_102125554688 [0,1,0,1,0,0|2,0,0]=4 21937 B12R2.2057 c1cnc(nc1)SCC2CO2 62a_102125554688_100000211032 [0,1,0,1,0,0|2,0,0]=4 21938 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000211032_100000745022 [0,1,0,1,0,0|2,0,0]=4 21939 B12R2.2057 c1cnc(nc1)SC[C@@H]2CO2 62a_100000745022_100000211032 [0,1,0,1,0,0|2,0,0]=4 21940 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,1,0,1,0,0|2,0,0]=4 21941 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,1,0,1,0,0|2,0,0]=4 21942 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,1,0,1,0,0|2,0,0]=4 21943 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,1,0,1,0,0|2,0,0]=4 21944 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [0,1,0,1,0,0|1,0,0]=3 21945 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [0,1,0,1,0,0|1,0,0]=3 21946 B12R2.2057 c1cncc(c1)OCC2CS2 7a_100000210849_100000031435 [0,1,0,1,0,0|1,1,0]=4 21947 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [0,1,0,1,0,0|1,0,0]=3 21948 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [0,1,0,1,0,0|2,0,0]=4 21949 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [0,1,0,1,0,0|2,0,0]=4 21950 B12R2.2057 c1cncc(c1)SCC2CO2 62a_100000210063_102125554688 [0,1,0,1,0,0|1,0,0]=3 21951 B12R2.2057 c1cncc(c1)SCC2CO2 62a_102125554688_100000210063 [0,1,0,1,0,0|1,0,0]=3 21952 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000031435_100000210063 [0,1,0,1,0,0|1,1,0]=4 21953 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000210063_100000031435 [0,1,0,1,0,0|1,1,0]=4 21954 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000210063_100000745022 [0,1,0,1,0,0|1,0,0]=3 21955 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000210063 [0,1,0,1,0,0|1,0,0]=3 21956 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_100016991348_102125554688 [0,1,0,1,0,0|2,0,0]=4 21957 B12R2.2057 c1cnnc(c1)SCC2CO2 62a_102125554688_100016991348 [0,1,0,1,0,0|2,0,0]=4 21958 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_100016991348 [0,1,0,1,0,0|2,0,0]=4 21959 B12R2.2057 c1cnnc(c1)SC[C@@H]2CO2 62a_100016991348_100000745022 [0,1,0,1,0,0|2,0,0]=4 21960 B12R2.2057 c1ncc(cn1)OCC2CO2 7a_100000754086_102125554688 [0,1,0,1,0,0|2,0,0]=4 21961 B12R2.2057 c1ncc(cn1)OC[C@@H]2CO2 7a_100000754086_100000745022 [0,1,0,1,0,0|2,0,0]=4 21962 B12R2.2057 c1ncc(cn1)SCC2CO2 62a_100011206942_102125554688 [0,1,0,1,0,0|2,0,0]=4 21963 B12R2.2057 c1ncc(cn1)SCC2CO2 62a_102125554688_100011206942 [0,1,0,1,0,0|2,0,0]=4 21964 B12R2.2057 c1ncc(cn1)SC[C@@H]2CO2 62a_100000745022_100011206942 [0,1,0,1,0,0|2,0,0]=4 21965 B12R2.2057 c1ncc(cn1)SC[C@@H]2CO2 62a_100011206942_100000745022 [0,1,0,1,0,0|2,0,0]=4 21966 B12R2.2058 c1cc(ccn1)CN2CCC2 269982a_100000754969_100015193705 [0,1,0,1,0,0|2,0,0]=4 21967 B12R2.2058 c1cc(ccn1)OC2CCC2 34a_100000212176_100000749161 [0,1,0,1,0,0|2,0,0]=4 21968 B12R2.2058 c1cc(ccn1)OC2COC2 34a_100000212176_100009818527 [0,1,0,1,0,0|2,0,0]=4 21969 B12R2.2058 c1cc(ccn1)SC2CCC2 62a_100000728582_100000749161 [0,1,0,1,0,0|2,0,0]=4 21970 B12R2.2058 c1cc(ccn1)SC2COC2 62a_100000728582_100009818527 [0,1,0,1,0,0|2,0,0]=4 21971 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,1,0,1,0,0|1,0,0]=3 21972 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,1,0,1,0,0|1,0,0]=3 21973 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,1,0,1,0,0|1,0,0]=3 21974 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|1,0,0]=3 21975 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|1,0,0]=3 21976 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|1,0,0]=3 21977 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,1,0,1,0,0|1,0,0]=3 21978 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,1,0,1,0,0|1,0,0]=3 21979 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,1,0,1,0,0|2,0,0]=4 21980 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,1,0,1,0,0|2,0,0]=4 21981 B12R2.2058 c1ccc(nc1)SC2COC2 62a_100011216584_100009818527 [0,1,0,1,0,0|2,0,0]=4 21982 B12R2.2058 c1cncc(c1)CN2CCC2 269982a_100000754969_100000733263 [0,1,0,1,0,0|2,0,0]=4 21983 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [0,1,0,1,0,0|2,0,0]=4 21984 B12R2.2058 c1cncc(c1)OC2COC2 34a_100000210849_100009818527 [0,1,0,1,0,0|2,0,0]=4 21985 B12R2.2058 c1cncc(c1)OC2COC2 7a_100000210849_100009818527 [0,1,0,1,0,0|2,0,0]=4 21986 B12R2.2058 c1cncc(c1)SC2CCC2 62a_100000210063_100000749161 [0,1,0,1,0,0|2,0,0]=4 21987 B12R2.2058 c1cncc(c1)SC2COC2 62a_100000210063_100009818527 [0,1,0,1,0,0|2,0,0]=4 21988 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|0,0,2]=4 21989 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,1,0,1,0,0|2,0,0]=4 21990 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|0,0,2]=4 21991 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [1,0,0,0,1,0|2,0,0]=4 21992 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [1,0,0,0,1,0|2,0,0]=4 21993 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,1,0|2,0,0]=4 21994 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,1,0|2,0,0]=4 21995 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,1,0|2,0,0]=4 21996 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,1,0|2,0,0]=4 21997 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [1,0,0,0,1,0|2,0,0]=4 21998 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [1,0,0,0,1,0|2,0,0]=4 21999 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [1,0,0,0,1,0|2,0,0]=4 22000 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [1,0,0,0,1,0|2,0,0]=4 22001 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,1,0|2,0,0]=4 22002 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,1,0|2,0,0]=4 22003 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,1,0|2,0,0]=4 22004 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,1,0|2,0,0]=4 22005 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,1,0|2,0,0]=4 22006 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,1,0|2,0,0]=4 22007 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,1,0|2,0,0]=4 22008 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,1,0|2,0,0]=4 22009 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,1,0|2,0,0]=4 22010 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,1,0|2,0,0]=4 22011 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,1,0|2,0,0]=4 22012 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,1,0|2,0,0]=4 22013 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,1,0|2,0,0]=4 22014 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,1,0|2,0,0]=4 22015 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,1,0|2,0,0]=4 22016 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,1,0|2,0,0]=4 22017 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,1,0|2,0,0]=4 22018 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,1,0|2,0,0]=4 22019 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,1,0|2,0,0]=4 22020 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,1,0|2,0,0]=4 22021 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,1,0|2,0,0]=4 22022 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,1,0|2,0,0]=4 22023 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,1,0|2,0,0]=4 22024 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,1,0|2,0,0]=4 22025 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,1,0|2,0,0]=4 22026 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,1,0|2,0,0]=4 22027 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,1,0|2,0,0]=4 22028 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,1,0|2,0,0]=4 22029 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,1,0|2,0,0]=4 22030 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,1,0|2,0,0]=4 22031 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,1,0|2,0,0]=4 22032 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,1,0|2,0,0]=4 22033 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,1,0|2,0,0]=4 22034 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,1,0|2,0,0]=4 22035 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,1,0|2,0,0]=4 22036 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,1,0|2,0,0]=4 22037 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,1,0|2,0,0]=4 22038 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,1,0|2,0,0]=4