0 B12R1.121 C#CCNc1ccccc1OC 34a_100000210025_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.121 C#CCSc1ccccc1OC 62a_100000038162_100000210334 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.121 C#Cc1ccccc1NCC=O 34a_100011470550_200009817547 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.121 C=CCNc1ccccc1OC 34a_100000210025_100015514636 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.121 C=CCNc1ccccc1SC 34a_100000211160_100015514636 [0,0,0,0,0,0|2,1,1]=4 11 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,0,0,0,0,0|2,0,1]=3 17 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,0,0,0,0,0|2,0,1]=3 19 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,0,0,0,0,0|2,1,1]=4 20 B12R1.121 C=CCOc1cccnc1OC 34a_100000698397_100015514636 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.121 C=CCOc1cccnc1OC 7a_100000698397_100015514636 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.121 C=CCOc1cnccc1OC 34a_100000101186_100015514636 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.121 C=CCOc1ncccc1OC 34a_100025773188_100015514636 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.121 C=CCSc1ccccc1OC 62a_100000210334_100000210623 [0,0,0,0,0,0|2,0,1]=3 33 B12R1.121 C=CCSc1ccccc1OC 62a_100000210623_100000210334 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.121 C=CCSc1ccccc1SC 62a_100000210623_100011217816 [0,0,0,0,0,0|2,1,1]=4 35 B12R1.121 C=CCSc1ccccc1SC 62a_100011217816_100000210623 [0,0,0,0,0,0|2,1,1]=4 36 B12R1.121 C=CCSc1cccnc1OC 62a_100000047025_100000210623 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.121 C=CCSc1cccnc1OC 62a_100000210623_100000047025 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.121 C=CCSc1ccncc1OC 62a_100000210623_100016988167 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.121 C=CCSc1ccncc1OC 62a_100016988167_100000210623 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.121 C=CCSc1cnccc1OC 62a_100000210623_100011997281 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.121 C=CCSc1cnccc1OC 62a_100011997281_100000210623 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.121 C=CCSc1ncccc1OC 62a_100000210623_100000690851 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.121 C=CCSc1ncccc1OC 62a_100000767102_100000210623 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,0,0,0,0,0|1,0,3]=4 45 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,0,0,0,0,0|2,0,2]=4 46 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,0,0,0,0,0|2,0,2]=4 47 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,0,0,0,0,0|2,0,2]=4 48 B12R1.121 CC=NNc1ccccc1CC 4a_100000737054_200000210099 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.121 CC=NNc1ccccc1OC 4a_100000751209_200000210099 [0,0,0,0,0,0|3,0,0]=3 50 B12R1.121 CC=NNc1cccnc1OC 4a_100159270702_200000210099 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.121 CC=NNc1ncccc1OC 4a_100012020716_200000210099 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,0,0,0,0,0|1,0,3]=4 53 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [0,0,0,0,0,0|2,0,2]=4 54 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,0,0,0,0,0|2,0,2]=4 55 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,0,0,0,0,0|2,0,2]=4 56 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,0,0,0,0,0|2,0,2]=4 58 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [0,0,0,0,0,0|2,0,2]=4 63 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [0,0,0,0,0,0|2,0,2]=4 64 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [0,0,0,0,0,0|2,0,2]=4 65 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,0,0,0,0,0|2,0,2]=4 66 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,0,0,0,0,0|2,0,2]=4 67 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [0,0,0,0,0,0|2,0,2]=4 68 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [0,0,0,0,0,0|2,0,2]=4 69 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,0,0,0,0,0|2,0,1]=3 70 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,0,0,0,0,0|2,0,1]=3 71 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,0,0,0,0,0|2,0,1]=3 72 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,0,0,0,0,0|2,0,1]=3 73 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,0,0,0,0,0|2,0,1]=3 74 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,0,0,0,0,0|2,0,1]=3 75 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,0,0,0,0,0|2,0,1]=3 76 B12R1.121 CCc1ccncc1SCC=O 62a_100009819861_200015260668 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.121 CCc1ccncc1SCC=O 62a_200015260668_100009819861 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.121 CCc1cnccc1SCC=O 62a_100025704421_200015260668 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.121 CCc1cnccc1SCC=O 62a_200015260668_100025704421 [0,0,0,0,0,0|3,0,1]=4 80 B12R1.121 CCc1ncccc1SCC=O 62a_100009877225_200015260668 [0,0,0,0,0,0|3,0,1]=4 81 B12R1.121 CCc1ncccc1SCC=O 62a_200015260668_100009877225 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,0,0,0,0,0|2,0,2]=4 83 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,0,0,0,0,0|2,0,2]=4 84 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,0,0,0,0,0|2,0,2]=4 85 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,0,0,0,0,0|2,0,2]=4 86 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,0,0,0,0,0|2,0,2]=4 87 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,0,0,0,0,0|2,0,2]=4 88 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,0,0,0,0,0|2,0,1]=3 89 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,0,0,0,0,0|2,0,1]=3 90 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,0,0,0,0,0|2,0,1]=3 91 B12R1.121 CNc1cccnc1SCC=O 62a_200015260668_200011806188 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.121 CNc1ccncc1SCC=O 62a_100010069531_200015260668 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.121 CNc1ccncc1SCC=O 62a_200015260668_100010069531 [0,0,0,0,0,0|3,0,1]=4 94 B12R1.121 CNc1ncccc1SCC=O 62a_100000700899_200015260668 [0,0,0,0,0,0|3,0,1]=4 95 B12R1.121 CNc1ncccc1SCC=O 62a_200015260668_100000700899 [0,0,0,0,0,0|3,0,1]=4 96 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,0,0,0,0,0|2,0,2]=4 98 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,0,0,0,0,0|2,0,2]=4 99 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,0,0,0,0,0|2,0,2]=4 100 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,0,0,0,0,0|2,0,2]=4 101 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,0,0,0,0,0|2,0,2]=4 102 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,0,0,0,0,0|2,0,2]=4 103 B12R1.121 COCSc1ccccc1OC 62a_100000210334_100000766300 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.121 COCSc1ccccc1OC 62a_100000766300_100000210334 [0,0,0,0,0,0|3,0,1]=4 105 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,0,0,0,0,0|2,0,2]=4 107 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,0,0,0,0,0|2,0,2]=4 108 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,0,0,0,0,0|2,0,2]=4 109 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,0,0,0,0,0|2,0,2]=4 110 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,0,0,0,0,0|2,0,2]=4 111 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,0,0,0,0,0|2,0,2]=4 112 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,0,0,0,0,0|2,0,2]=4 113 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [0,0,0,0,0,0|2,0,2]=4 114 B12R1.121 COc1ccccc1COCF 34a_100000211301_100015361967 [0,0,0,0,0,0|2,0,2]=4 115 B12R1.121 COc1ccccc1CSCF 62a_100000210004_100015361967 [0,0,0,0,0,0|2,0,2]=4 116 B12R1.121 COc1ccccc1CSCF 62a_100015361967_100000210004 [0,0,0,0,0,0|2,0,2]=4 117 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,0,0,0,0,0|1,0,1]=2 118 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [0,0,0,0,0,0|2,0,2]=4 119 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [0,0,0,0,0,0|1,0,3]=4 120 B12R1.121 COc1ccccc1NCSC 34a_100000210025_100011218213 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,0,0,0,0,0|1,0,1]=2 122 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,0,0,0,0,0|2,0,2]=4 123 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,0,0,0,0,0|1,0,3]=4 124 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,0,0,0,0,0|1,0,3]=4 125 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,0,0,0,0,0|1,0,3]=4 126 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.121 COc1ccccc1SCC#N 62a_100000210334_100011215382 [0,0,0,0,0,0|2,0,2]=4 128 B12R1.121 COc1ccccc1SCC#N 62a_100011215382_100000210334 [0,0,0,0,0,0|2,0,2]=4 129 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,0,0,0,0,0|1,0,1]=2 130 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,0,0,0,0,0|1,0,1]=2 131 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [0,0,0,0,0,0|2,0,2]=4 132 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [0,0,0,0,0,0|2,0,2]=4 133 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [0,0,0,0,0,0|1,0,3]=4 134 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [0,0,0,0,0,0|1,0,3]=4 135 B12R1.121 COc1ccccc1SCSC 62a_100000210334_100011218213 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.121 COc1ccccc1SCSC 62a_100011218213_100000210334 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.121 COc1cccnc1OCC=O 34a_100025773188_200009817547 [0,0,0,0,0,0|2,0,1]=3 138 B12R1.121 COc1cccnc1SCC=O 62a_100000767102_200015260668 [0,0,0,0,0,0|2,0,1]=3 139 B12R1.121 COc1cccnc1SCC=O 62a_200015260668_100000690851 [0,0,0,0,0,0|2,0,1]=3 140 B12R1.121 COc1ccncc1OCC=O 34a_100000101186_200009817547 [0,0,0,0,0,0|2,0,1]=3 141 B12R1.121 COc1ccncc1SCC=O 62a_100011997281_200015260668 [0,0,0,0,0,0|2,0,1]=3 142 B12R1.121 COc1ccncc1SCC=O 62a_200015260668_100011997281 [0,0,0,0,0,0|2,0,1]=3 143 B12R1.121 COc1cnccc1SCC=O 62a_100016988167_200015260668 [0,0,0,0,0,0|2,0,1]=3 144 B12R1.121 COc1cnccc1SCC=O 62a_200015260668_100016988167 [0,0,0,0,0,0|2,0,1]=3 145 B12R1.121 COc1cncnc1SCC=O 62a_100012001275_200015260668 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.121 COc1cncnc1SCC=O 62a_200015260668_100012001275 [0,0,0,0,0,0|3,0,1]=4 147 B12R1.121 COc1ncccc1OCC=O 34a_100000698397_200009817547 [0,0,0,0,0,0|2,0,1]=3 148 B12R1.121 COc1ncccc1OCC=O 7a_100000698397_200015260668 [0,0,0,0,0,0|2,0,1]=3 149 B12R1.121 COc1ncccc1SCC=O 62a_100000047025_200015260668 [0,0,0,0,0,0|2,0,1]=3 150 B12R1.121 COc1ncccc1SCC=O 62a_200015260668_100000047025 [0,0,0,0,0,0|2,0,1]=3 151 B12R1.121 COc1nccnc1SCC=O 62a_100009858322_200015260668 [0,0,0,0,0,0|3,0,1]=4 152 B12R1.121 COc1nccnc1SCC=O 62a_200015260668_100000749998 [0,0,0,0,0,0|3,0,1]=4 153 B12R1.121 COc1ncncc1SCC=O 62a_100000719902_200015260668 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.121 COc1ncncc1SCC=O 62a_200015260668_100000719902 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [0,0,0,0,0,0|0,1,0]=1 156 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [0,0,0,0,0,0|0,1,0]=1 157 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,0,0,0,0,0|0,1,2]=3 158 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,0,0,0,0,0|0,1,2]=3 159 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,0,0,0,0,0|1,1,1]=3 160 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,0,0,0,0,0|1,1,1]=3 161 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,0,0,0,0,0|1,1,1]=3 162 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,0,0,0,0,0|1,1,1]=3 163 B12R1.121 CSc1ncccc1SCC=O 62a_100011465278_200015260668 [0,0,0,0,0,0|2,1,1]=4 164 B12R1.121 CSc1ncccc1SCC=O 62a_200015260668_100011465278 [0,0,0,0,0,0|2,1,1]=4 165 B12R1.121 N#Cc1ccccc1NCC=O 34a_100000211148_200009817547 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.121 N#Cc1ccccc1SCC=O 62a_200015260668_100000188569 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.121 NCc1ccccc1SCC=O 62a_100000689332_200015260668 [0,0,0,0,0,0|3,0,1]=4 171 B12R1.121 NCc1ccccc1SCC=O 62a_200015260668_100000689332 [0,0,0,0,0,0|3,0,1]=4 172 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [0,0,0,0,0,0|3,0,1]=4 174 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,0,0,0,0,0|3,0,1]=4 176 B12R1.121 O=CCSc1ccccc1C=O 62a_100000210073_200015260668 [0,0,0,0,0,0|3,0,1]=4 177 B12R1.121 O=CCSc1ccccc1C=O 62a_200015260668_100000210073 [0,0,0,0,0,0|3,0,1]=4 178 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [0,0,0,0,0,0|3,0,1]=4 179 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [0,0,0,0,0,0|3,0,1]=4 180 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,0,0,0,0,0|1,0,3]=4 181 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,0,0,0,0,0|1,0,3]=4 182 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [0,0,0,0,0,0|0,1,0]=1 183 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [0,0,0,0,0,0|0,1,0]=1 184 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,0,0,0,0,0|0,1,2]=3 185 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,0,0,0,0,0|0,1,2]=3 186 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [1,0,0,0,0,0|2,0,1]=4 193 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [1,0,0,0,0,0|2,0,1]=4 194 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,0,0,0,0,0|1,0,1]=3 197 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,0,0,0,0,0|1,0,1]=3 198 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,0,0,0,0,0|1,0,1]=3 199 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,0,0,0,0,0|1,0,1]=3 200 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,0,0,0,0,0|1,0,1]=3 201 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [1,0,0,0,0,0|2,0,1]=4 213 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,0,0,0,0|2,0,1]=4 216 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,0,0,0,0|2,0,1]=4 217 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,0,0,0,0,0|0,0,2]=3 219 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,0,0,0,0,0|2,0,1]=4 221 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,0,0,0,0,0|2,0,1]=4 222 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,0,0,0,0|1,0,1]=3 224 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,0,0,0,0,0|2,0,1]=4 228 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,0,0,0,0,0|2,0,1]=4 229 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,0,0,0,0,0|2,0,1]=4 230 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,0,0,0,0,0|2,0,1]=4 231 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,0,0,0,0,0|2,0,1]=4 233 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,0,0,0,0,0|2,0,1]=4 234 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,0,0,0,0,0|2,0,1]=4 236 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,0,0,0,0,0|2,0,1]=4 237 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,0,0,0,0,0|1,0,1]=3 239 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,0,0,0,0,0|1,0,1]=3 240 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [1,0,0,0,0,0|2,0,1]=4 241 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [1,0,0,0,0,0|2,0,1]=4 242 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [1,0,0,0,0,0|2,0,1]=4 243 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [1,0,0,0,0,0|2,0,1]=4 246 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [1,0,0,0,0,0|0,0,1]=2 247 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [1,0,0,0,0,0|0,0,1]=2 248 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [1,0,0,0,0,0|0,0,1]=2 249 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [1,0,0,0,0,0|0,0,1]=2 250 B11R1.41 C=C=Cc1ccccc1C#N 271570a_100015277604_100000188569 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [1,0,0,0,0,0|1,0,1]=3 253 B11R1.41 C=C=Cc1ccccc1CN 271570a_100015277604_100000689332 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.41 C=C=Cc1ccccc1CO 271570a_100015277604_100000187465 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [1,0,0,0,0,0|1,0,1]=3 256 B11R1.41 C=C=Cc1ccccc1NN 271570a_100015277604_100000241748 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [1,0,0,0,0,0|0,0,1]=2 258 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [1,0,0,0,0,0|0,1,1]=3 259 B11R1.41 C=C=Cc1cccnc1CC 271570a_100015277604_100009877225 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.41 C=C=Cc1cccnc1NC 271570a_100015277604_100000700899 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.41 C=C=Cc1cccnc1OC 271570a_100015277604_100000047025 [1,0,0,0,0,0|1,0,1]=3 262 B11R1.41 C=C=Cc1cccnc1SC 271570a_100015277604_100011465278 [1,0,0,0,0,0|1,1,1]=4 263 B11R1.41 C=C=Cc1ccncc1CC 271570a_100015277604_100025704421 [1,0,0,0,0,0|2,0,1]=4 264 B11R1.41 C=C=Cc1ccncc1OC 271570a_100015277604_100016988167 [1,0,0,0,0,0|1,0,1]=3 265 B11R1.41 C=C=Cc1cnccc1CC 271570a_100015277604_100009819861 [1,0,0,0,0,0|2,0,1]=4 266 B11R1.41 C=C=Cc1cnccc1NC 271570a_100015277604_100010069531 [1,0,0,0,0,0|2,0,1]=4 267 B11R1.41 C=C=Cc1cnccc1OC 271570a_100015277604_100011997281 [1,0,0,0,0,0|1,0,1]=3 268 B11R1.41 C=C=Cc1cncnc1OC 271570a_100015277604_100000719902 [1,0,0,0,0,0|2,0,1]=4 269 B11R1.41 C=C=Cc1ncccc1NC 271570a_100015277604_200011806188 [1,0,0,0,0,0|2,0,1]=4 270 B11R1.41 C=C=Cc1ncccc1OC 271570a_100015277604_100000690851 [1,0,0,0,0,0|1,0,1]=3 271 B11R1.41 C=C=Cc1nccnc1OC 271570a_100015277604_100000749998 [1,0,0,0,0,0|2,0,1]=4 272 B11R1.41 C=C=Cc1ncncc1OC 271570a_100015277604_100012001275 [1,0,0,0,0,0|2,0,1]=4 273 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,0,0,0,0|1,0,2]=4 274 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [1,0,0,0,0,0|1,0,1]=3 275 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [1,0,0,0,0,0|1,0,1]=3 276 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [1,0,0,0,0,0|1,0,1]=3 277 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [1,0,0,0,0,0|1,0,1]=3 278 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [1,0,0,0,0,0|0,0,1]=2 279 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [1,0,0,0,0,0|0,0,1]=2 280 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [1,0,0,0,0,0|0,0,1]=2 281 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [1,0,0,0,0,0|0,0,1]=2 282 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [1,0,0,0,0,0|0,1,1]=3 283 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [1,0,0,0,0,0|0,1,1]=3 284 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [1,0,0,0,0,0|0,1,1]=3 285 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [1,0,0,0,0,0|0,1,1]=3 286 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [1,0,0,0,0,0|2,0,1]=4 287 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [1,0,0,0,0,0|1,0,1]=3 289 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [1,0,0,0,0,0|2,0,1]=4 290 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [1,0,0,0,0,0|2,0,1]=4 291 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [1,0,0,0,0,0|1,0,1]=3 292 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [1,0,0,0,0,0|0,0,1]=2 294 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [1,0,0,0,0,0|0,1,1]=3 295 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [1,0,0,0,0,0|2,0,1]=4 297 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [1,0,0,0,0,0|1,0,1]=3 298 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [1,0,0,0,0,0|1,1,1]=4 299 B11R1.41 CC=Cc1ccncc1CC 271570a_100016259895_100025704421 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [1,0,0,0,0,0|1,0,1]=3 301 B11R1.41 CC=Cc1cnccc1CC 271570a_100016259895_100009819861 [1,0,0,0,0,0|2,0,1]=4 302 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [1,0,0,0,0,0|2,0,1]=4 303 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [1,0,0,0,0,0|1,0,1]=3 304 B11R1.41 CC=Cc1cncnc1OC 271570a_100016259895_100000719902 [1,0,0,0,0,0|2,0,1]=4 305 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [1,0,0,0,0,0|2,0,1]=4 306 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [1,0,0,0,0,0|1,0,1]=3 307 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [1,0,0,0,0,0|2,0,1]=4 308 B11R1.41 CC=Cc1ncncc1OC 271570a_100016259895_100012001275 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,0,0,0,0,0|0,0,3]=4 310 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,0,0,0,0,0|0,0,3]=4 311 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,0,0,0,0,0|0,0,3]=4 312 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,0,0,0,0,0|0,0,3]=4 313 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [1,0,0,0,0,0|1,0,2]=4 314 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [1,0,0,0,0,0|1,0,2]=4 315 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [1,0,0,0,0,0|1,0,2]=4 316 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [1,0,0,0,0,0|1,0,2]=4 317 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [1,0,0,0,0,0|1,0,2]=4 318 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,0,0,0,0,0|1,0,2]=4 319 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,0,0,0,0,0|1,0,2]=4 320 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,0,0,0,0,0|1,0,2]=4 321 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,0,0,0,0,0|1,0,2]=4 322 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,0,0,0,0,0|1,0,2]=4 323 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [1,0,0,0,0,0|1,0,2]=4 324 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [1,0,0,0,0,0|1,0,2]=4 325 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [1,0,0,0,0,0|1,0,2]=4 326 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [1,0,0,0,0,0|1,0,2]=4 327 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [1,0,0,0,0,0|1,0,2]=4 328 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [1,0,0,0,0,0|1,0,2]=4 329 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [1,0,0,0,0,0|1,0,2]=4 330 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [1,0,0,0,0,0|1,0,2]=4 331 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [1,0,0,0,0,0|1,0,2]=4 332 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [1,0,0,0,0,0|1,0,2]=4 333 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [1,0,0,0,0,0|1,0,2]=4 334 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [1,0,0,0,0,0|1,0,2]=4 335 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [1,0,0,0,0,0|1,0,2]=4 336 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [1,0,0,0,0,0|1,0,2]=4 337 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [1,0,0,0,0,0|1,0,2]=4 338 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [1,0,0,0,0,0|1,0,2]=4 339 B11R1.41 COc1ccccc1CC#N 34a_100000043107_200000210301 [1,0,0,0,0,0|1,0,2]=4 340 B11R1.41 COc1ccccc1CC#N 7a_100000043107_200000210301 [1,0,0,0,0,0|1,0,2]=4 341 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [1,0,0,0,0,0|1,0,2]=4 342 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [1,0,0,0,0,0|1,0,2]=4 343 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [1,0,0,0,0,0|1,0,2]=4 344 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [1,0,0,0,0,0|0,0,3]=4 345 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [1,0,0,0,0,0|0,0,3]=4 346 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [1,0,0,0,0,0|1,0,2]=4 347 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [1,0,0,0,0,0|1,0,2]=4 348 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [1,0,0,0,0,0|1,0,2]=4 349 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [1,0,0,0,0,0|1,0,2]=4 350 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [1,0,0,0,0,0|1,0,2]=4 351 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [1,0,0,0,0,0|1,0,2]=4 352 B11R1.41 COc1ccccc1NCF 34a_100000210025_100015361967 [1,0,0,0,0,0|2,0,1]=4 353 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [1,0,0,0,0,0|2,0,1]=4 354 B11R1.41 COc1ccccc1SCF 62a_100000210334_100015361967 [1,0,0,0,0,0|2,0,1]=4 355 B11R1.41 COc1ccccc1SCF 62a_100015361967_100000210334 [1,0,0,0,0,0|2,0,1]=4 356 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,0,0,0,0,0|1,1,0]=3 357 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,0,0,0,0,0|1,1,0]=3 358 B11R1.41 [13CH3]Oc1ccccc1CC#N 34a_100000043107_200025704644 [1,0,0,0,0,0|1,0,2]=4 359 B11R1.41 [13CH3]Oc1ccccc1CC#N 7a_100000043107_200025704644 [1,0,0,0,0,0|1,0,2]=4 360 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [1,0,0,0,0,0|1,0,2]=4 361 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [1,0,0,0,0,0|1,0,2]=4 362 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [1,0,0,0,0,0|1,0,2]=4 363 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [1,0,0,0,0,0|0,0,3]=4 364 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [1,0,0,0,0,0|0,0,3]=4 365 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,0,0,0,0,0|1,1,0]=3 366 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,0,0,0,0,0|1,1,0]=3 367 B13R1.73 C=CCNc1ccc(cc1OC)Br 34a_100011279103_100015514636 [0,1,0,0,0,0|2,0,1]=4 368 B13R1.73 C=CCNc1ccc(cc1OC)C 2230a_100000746441_100000210623 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.73 C=CCNc1ccc(cc1OC)C 34a_100000746441_100015514636 [0,1,0,0,0,0|2,0,1]=4 370 B13R1.73 C=CCNc1ccc(cc1OC)Cl 34a_100000707585_100015514636 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.73 C=CCNc1ccc(cc1OC)F 34a_100000737216_100015514636 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.73 C=CCNc1ccc(cc1OC)I 34a_100015196925_100015514636 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.73 C=CCNc1ccc(cc1OC)O 34a_100015326901_100015514636 [0,1,0,0,0,0|2,0,1]=4 374 B13R1.73 C=CCOc1ccc(cc1OC)Br 34a_100000694246_100015514636 [0,1,0,0,0,0|2,0,1]=4 375 B13R1.73 C=CCOc1ccc(cc1OC)Br 7a_100000694246_100015514636 [0,1,0,0,0,0|2,0,1]=4 376 B13R1.73 C=CCOc1ccc(cc1OC)C 34a_100000186466_100015514636 [0,1,0,0,0,0|2,0,1]=4 377 B13R1.73 C=CCOc1ccc(cc1OC)Cl 34a_100000033002_100015514636 [0,1,0,0,0,0|2,0,1]=4 378 B13R1.73 C=CCOc1ccc(cc1OC)F 34a_100000036057_100015514636 [0,1,0,0,0,0|2,0,1]=4 379 B13R1.73 C=CCOc1ccc(cc1OC)F 7a_100000036057_100015514636 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.73 C=CCOc1ccc(cc1OC)I 34a_100000049635_100015514636 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.73 C=CCOc1ccc(cc1OC)N 34a_100000726020_100015514636 [0,1,0,0,0,0|2,0,1]=4 382 B13R1.73 C=CCSc1ccc(cc1OC)Br 62a_100000210623_100010245111 [0,1,0,0,0,0|2,0,1]=4 383 B13R1.73 C=CCSc1ccc(cc1OC)Br 62a_100010245111_100000210623 [0,1,0,0,0,0|2,0,1]=4 384 B13R1.73 C=CCSc1ccc(cc1OC)C 62a_100000210623_100010200004 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.73 C=CCSc1ccc(cc1OC)C 62a_100010200004_100000210623 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.73 C=CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210623 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.73 C=CCSc1ccc(cc1OC)Cl 62a_100000210623_100000050115 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.73 C=CCSc1ccc(cc1OC)F 62a_100000210623_100000757151 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.73 C=CCSc1ccc(cc1OC)F 62a_100000757151_100000210623 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.73 C=CCSc1ccc(cc1OC)N 62a_100000210623_100000765947 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.73 C=CCSc1ccc(cc1OC)N 62a_100000765947_100000210623 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.73 C=CCSc1ccc(cc1OC)O 62a_100000210623_100011827694 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.73 CC=NNc1ccc(cc1OC)Cl 4a_100103168642_200000210099 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.73 CCc1cc(ccc1NCC=O)Br 2230a_100000686106_200015260668 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.73 CCc1cc(ccc1NCC=O)Br 34a_100000686106_200009817547 [0,1,0,0,0,0|2,0,1]=4 396 B13R1.73 CCc1cc(ccc1NCC=O)Br 7a_100000686106_200015260668 [0,1,0,0,0,0|2,0,1]=4 397 B13R1.73 CCc1cc(ccc1NCC=O)Cl 2230a_100012017146_200015260668 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.73 CCc1cc(ccc1NCC=O)Cl 34a_100012017146_200009817547 [0,1,0,0,0,0|2,0,1]=4 399 B13R1.73 CCc1cc(ccc1NCC=O)Cl 7a_100012017146_200015260668 [0,1,0,0,0,0|2,0,1]=4 400 B13R1.73 CCc1cc(ccc1NCC=O)I 2230a_100000014069_200015260668 [0,1,0,0,0,0|2,0,1]=4 401 B13R1.73 CCc1cc(ccc1NCC=O)I 34a_100000014069_200009817547 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.73 CCc1cc(ccc1NCC=O)I 7a_100000014069_200015260668 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.73 CCc1cc(ccc1OCC=O)Br 34a_100012338938_200009817547 [0,1,0,0,0,0|2,0,1]=4 404 B13R1.73 CCc1cc(ccc1OCC=O)Br 7a_100012338938_200015260668 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.73 CCc1cc(ccc1OCC=O)C 34a_100009844793_200009817547 [0,1,0,0,0,0|2,0,1]=4 406 B13R1.73 CCc1cc(ccc1OCC=O)C 7a_100009844793_200015260668 [0,1,0,0,0,0|2,0,1]=4 407 B13R1.73 CCc1cc(ccc1OCC=O)F 34a_200000035566_200009817547 [0,1,0,0,0,0|2,0,1]=4 408 B13R1.73 CCc1cc(ccc1OCC=O)F 7a_200000035566_200015260668 [0,1,0,0,0,0|2,0,1]=4 409 B13R1.73 CCc1cc(ccc1SCC=O)Br 62a_100011216195_200015260668 [0,1,0,0,0,0|2,0,1]=4 410 B13R1.73 CCc1cc(ccc1SCC=O)Br 62a_200015260668_100011216195 [0,1,0,0,0,0|2,0,1]=4 411 B13R1.73 CCc1cc(ccc1SCC=O)N 62a_100010109747_200015260668 [0,1,0,0,0,0|2,0,1]=4 412 B13R1.73 CCc1cc(ccc1SCC=O)N 62a_200015260668_100010109747 [0,1,0,0,0,0|2,0,1]=4 413 B13R1.73 CNc1cc(ccc1SCC=O)F 62a_100020633008_200015260668 [0,1,0,0,0,0|2,0,1]=4 414 B13R1.73 CNc1cc(ccc1SCC=O)F 62a_200015260668_100020633008 [0,1,0,0,0,0|2,0,1]=4 415 B13R1.73 COc1cc(ccc1NCC=O)Br 34a_100011279103_200009817547 [0,1,0,0,0,0|1,0,1]=3 416 B13R1.73 COc1cc(ccc1NCC=O)C 2230a_100000746441_200015260668 [0,1,0,0,0,0|1,0,1]=3 417 B13R1.73 COc1cc(ccc1NCC=O)C 34a_100000746441_200009817547 [0,1,0,0,0,0|1,0,1]=3 418 B13R1.73 COc1cc(ccc1NCC=O)Cl 34a_100000707585_200009817547 [0,1,0,0,0,0|1,0,1]=3 419 B13R1.73 COc1cc(ccc1NCC=O)F 34a_100000737216_200009817547 [0,1,0,0,0,0|1,0,1]=3 420 B13R1.73 COc1cc(ccc1NCC=O)I 34a_100015196925_200009817547 [0,1,0,0,0,0|1,0,1]=3 421 B13R1.73 COc1cc(ccc1NCC=O)O 34a_100015326901_200009817547 [0,1,0,0,0,0|1,0,1]=3 422 B13R1.73 COc1cc(ccc1OCC=O)Br 34a_100000694246_200009817547 [0,1,0,0,0,0|1,0,1]=3 423 B13R1.73 COc1cc(ccc1OCC=O)Br 7a_100000694246_200015260668 [0,1,0,0,0,0|1,0,1]=3 424 B13R1.73 COc1cc(ccc1OCC=O)C 34a_100000186466_200009817547 [0,1,0,0,0,0|1,0,1]=3 425 B13R1.73 COc1cc(ccc1OCC=O)Cl 34a_100000033002_200009817547 [0,1,0,0,0,0|1,0,1]=3 426 B13R1.73 COc1cc(ccc1OCC=O)F 34a_100000036057_200009817547 [0,1,0,0,0,0|1,0,1]=3 427 B13R1.73 COc1cc(ccc1OCC=O)F 7a_100000036057_200015260668 [0,1,0,0,0,0|1,0,1]=3 428 B13R1.73 COc1cc(ccc1OCC=O)I 34a_100000049635_200009817547 [0,1,0,0,0,0|1,0,1]=3 429 B13R1.73 COc1cc(ccc1OCC=O)N 34a_100000726020_200009817547 [0,1,0,0,0,0|1,0,1]=3 430 B13R1.73 COc1cc(ccc1SCC=O)Br 62a_100010245111_200015260668 [0,1,0,0,0,0|1,0,1]=3 431 B13R1.73 COc1cc(ccc1SCC=O)Br 62a_200015260668_100010245111 [0,1,0,0,0,0|1,0,1]=3 432 B13R1.73 COc1cc(ccc1SCC=O)C 62a_100010200004_200015260668 [0,1,0,0,0,0|1,0,1]=3 433 B13R1.73 COc1cc(ccc1SCC=O)C 62a_200015260668_100010200004 [0,1,0,0,0,0|1,0,1]=3 434 B13R1.73 COc1cc(ccc1SCC=O)Cl 62a_100000050115_200015260668 [0,1,0,0,0,0|1,0,1]=3 435 B13R1.73 COc1cc(ccc1SCC=O)Cl 62a_200015260668_100000050115 [0,1,0,0,0,0|1,0,1]=3 436 B13R1.73 COc1cc(ccc1SCC=O)F 62a_100000757151_200015260668 [0,1,0,0,0,0|1,0,1]=3 437 B13R1.73 COc1cc(ccc1SCC=O)F 62a_200015260668_100000757151 [0,1,0,0,0,0|1,0,1]=3 438 B13R1.73 COc1cc(ccc1SCC=O)N 62a_100000765947_200015260668 [0,1,0,0,0,0|1,0,1]=3 439 B13R1.73 COc1cc(ccc1SCC=O)N 62a_200015260668_100000765947 [0,1,0,0,0,0|1,0,1]=3 440 B13R1.73 COc1cc(ccc1SCC=O)O 62a_200015260668_100011827694 [0,1,0,0,0,0|1,0,1]=3 441 B13R1.73 COc1cc(cnc1OCC=O)Cl 34a_200009845368_200009817547 [0,1,0,0,0,0|2,0,1]=4 442 B13R1.73 COc1cc(cnc1SCC=O)C 62a_200015260668_200000118316 [0,1,0,0,0,0|2,0,1]=4 443 B13R1.73 COc1cc(cnc1SCC=O)F 62a_100010136273_200015260668 [0,1,0,0,0,0|2,0,1]=4 444 B13R1.73 COc1cc(cnc1SCC=O)F 62a_200015260668_100009867738 [0,1,0,0,0,0|2,0,1]=4 445 B13R1.73 COc1cc(cnc1SCC=O)N 62a_200010291755_200015260668 [0,1,0,0,0,0|2,0,1]=4 446 B13R1.73 COc1cc(cnc1SCC=O)N 62a_200015260668_100000097218 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.73 COc1cc(ncc1SCC=O)C 62a_100000717771_200015260668 [0,1,0,0,0,0|2,0,1]=4 448 B13R1.73 COc1cc(ncc1SCC=O)C 62a_200015260668_100000717771 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.73 COc1cc(ncc1SCC=O)Cl 62a_100010154656_200015260668 [0,1,0,0,0,0|2,0,1]=4 450 B13R1.73 COc1cc(ncc1SCC=O)Cl 62a_200015260668_100010154656 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.73 COc1cc(ncc1SCC=O)F 62a_100010135560_200015260668 [0,1,0,0,0,0|2,0,1]=4 452 B13R1.73 COc1cc(ncc1SCC=O)F 62a_200015260668_100010135560 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.73 COc1cc(ncc1SCC=O)N 62a_100015506990_200015260668 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.73 COc1cc(ncc1SCC=O)N 62a_200015260668_100015506990 [0,1,0,0,0,0|2,0,1]=4 455 B13R1.73 COc1nc(ccc1OCC=O)Br 34a_100010893133_200009817547 [0,1,0,0,0,0|2,0,1]=4 456 B13R1.73 COc1nc(ccc1SCC=O)C 62a_100010138632_200015260668 [0,1,0,0,0,0|2,0,1]=4 457 B13R1.73 COc1nc(ccc1SCC=O)C 62a_200015260668_100010138632 [0,1,0,0,0,0|2,0,1]=4 458 B13R1.73 COc1nc(ccc1SCC=O)N 62a_100010187630_200015260668 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.73 COc1nc(ccc1SCC=O)N 62a_200015260668_100010187630 [0,1,0,0,0,0|2,0,1]=4 460 B13R1.73 CSc1cc(ccc1SCC=O)C 62a_200010709736_200015260668 [0,1,0,0,0,0|1,1,1]=4 461 B13R1.73 CSc1cc(ccc1SCC=O)C 62a_200015260668_200010709736 [0,1,0,0,0,0|1,1,1]=4 462 B13R1.84 C/C=C/CNc1ccccc1CC 34a_100000212081_100102629194 [0,1,0,0,0,0|2,0,1]=4 463 B13R1.84 C/C=C/CNc1ccccc1CC 7a_100000212081_100102629194 [0,1,0,0,0,0|2,0,1]=4 464 B13R1.84 C/C=C/CNc1ccccc1OC 34a_100000210025_100102629194 [0,1,0,0,0,0|1,0,1]=3 465 B13R1.84 C/C=C/CNc1ccccc1SC 34a_100000211160_100102629194 [0,1,0,0,0,0|1,1,1]=4 466 B13R1.84 C/C=C/COc1ccccc1CC 34a_100000210936_100102629194 [0,1,0,0,0,0|2,0,1]=4 467 B13R1.84 C/C=C/COc1ccccc1CC 7a_100000210936_100102629194 [0,1,0,0,0,0|2,0,1]=4 468 B13R1.84 C/C=C/COc1ccccc1NC 34a_100000033821_100102629194 [0,1,0,0,0,0|2,0,1]=4 469 B13R1.84 C/C=C/COc1ccccc1OC 34a_100000210385_100102629194 [0,1,0,0,0,0|1,0,1]=3 470 B13R1.84 C/C=C/COc1ccccc1SC 34a_100011216402_100102629194 [0,1,0,0,0,0|1,1,1]=4 471 B13R1.84 C/C=C/COc1cccnc1OC 34a_100000698397_100102629194 [0,1,0,0,0,0|2,0,1]=4 472 B13R1.84 C/C=C/COc1cccnc1OC 7a_100000698397_100102629194 [0,1,0,0,0,0|2,0,1]=4 473 B13R1.84 C/C=C/COc1cnccc1OC 34a_100000101186_100102629194 [0,1,0,0,0,0|2,0,1]=4 474 B13R1.84 C/C=C/COc1ncccc1OC 34a_100025773188_100102629194 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.84 C/C=C/CSc1ccccc1CC 62a_100011215823_100102629194 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.84 C/C=C/CSc1ccccc1CC 62a_100102629194_100011215823 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.84 C/C=C/CSc1ccccc1NC 62a_100020606079_100102629194 [0,1,0,0,0,0|2,0,1]=4 478 B13R1.84 C/C=C/CSc1ccccc1NC 62a_100102629194_100020606079 [0,1,0,0,0,0|2,0,1]=4 479 B13R1.84 C/C=C/CSc1ccccc1OC 62a_100000210334_100102629194 [0,1,0,0,0,0|1,0,1]=3 480 B13R1.84 C/C=C/CSc1ccccc1OC 62a_100102629194_100000210334 [0,1,0,0,0,0|1,0,1]=3 481 B13R1.84 C/C=C/CSc1ccccc1SC 62a_100011217816_100102629194 [0,1,0,0,0,0|1,1,1]=4 482 B13R1.84 C/C=C/CSc1ccccc1SC 62a_100102629194_100011217816 [0,1,0,0,0,0|1,1,1]=4 483 B13R1.84 C/C=C/CSc1cccnc1OC 62a_100000047025_100102629194 [0,1,0,0,0,0|2,0,1]=4 484 B13R1.84 C/C=C/CSc1cccnc1OC 62a_100102629194_100000047025 [0,1,0,0,0,0|2,0,1]=4 485 B13R1.84 C/C=C/CSc1ccncc1OC 62a_100016988167_100102629194 [0,1,0,0,0,0|2,0,1]=4 486 B13R1.84 C/C=C/CSc1ccncc1OC 62a_100102629194_100016988167 [0,1,0,0,0,0|2,0,1]=4 487 B13R1.84 C/C=C/CSc1cnccc1OC 62a_100011997281_100102629194 [0,1,0,0,0,0|2,0,1]=4 488 B13R1.84 C/C=C/CSc1cnccc1OC 62a_100102629194_100011997281 [0,1,0,0,0,0|2,0,1]=4 489 B13R1.84 C/C=C/CSc1ncccc1OC 62a_100000767102_100102629194 [0,1,0,0,0,0|2,0,1]=4 490 B13R1.84 C/C=C/CSc1ncccc1OC 62a_100102629194_100000690851 [0,1,0,0,0,0|2,0,1]=4 491 B13R1.84 C=CCCNc1ccccc1OC 34a_100000210025_100000754431 [0,1,0,0,0,0|1,0,2]=4 492 B13R1.84 C=CCCOc1ccccc1OC 34a_100000210385_100000754431 [0,1,0,0,0,0|1,0,2]=4 493 B13R1.84 C=CCCSc1ccccc1OC 62a_100000210334_100000754431 [0,1,0,0,0,0|1,0,2]=4 494 B13R1.84 C=CCCSc1ccccc1OC 62a_100000754431_100000210334 [0,1,0,0,0,0|1,0,2]=4 495 B13R1.84 C=CCNCc1ccccc1OC 2230a_100020586998_100000210004 [0,1,0,0,0,0|1,0,2]=4 496 B13R1.84 C=CCNCc1ccccc1OC 270004a_100020586998_100000169842 [0,1,0,0,0,0|1,0,2]=4 497 B13R1.84 C=CCNCc1ccccc1OC 34a_100000188900_100015514636 [0,1,0,0,0,0|1,0,2]=4 498 B13R1.84 C=CCOCc1ccccc1OC 34a_100000211301_100015514636 [0,1,0,0,0,0|1,0,2]=4 499 B13R1.84 C=CCOCc1ccccc1OC 34a_200000210373_100000210004 [0,1,0,0,0,0|1,0,2]=4 500 B13R1.84 C=CCSCc1ccccc1OC 62a_100000210004_100000210623 [0,1,0,0,0,0|1,0,2]=4 501 B13R1.84 C=CCSCc1ccccc1OC 62a_100000210623_100000210004 [0,1,0,0,0,0|1,0,2]=4 502 B13R1.84 CC=CCNc1ccccc1CC 2230a_100000212081_100000070051 [0,1,0,0,0,0|2,0,1]=4 503 B13R1.84 CC=CCNc1ccccc1CC 34a_100000212081_100000070051 [0,1,0,0,0,0|2,0,1]=4 504 B13R1.84 CC=CCNc1ccccc1CC 7a_100000212081_100000070051 [0,1,0,0,0,0|2,0,1]=4 505 B13R1.84 CC=CCNc1ccccc1OC 34a_100000210025_100000070051 [0,1,0,0,0,0|1,0,1]=3 506 B13R1.84 CC=CCNc1ccccc1SC 34a_100000211160_100000070051 [0,1,0,0,0,0|1,1,1]=4 507 B13R1.84 CC=CCOc1ccccc1CC 34a_100000210936_100000070051 [0,1,0,0,0,0|2,0,1]=4 508 B13R1.84 CC=CCOc1ccccc1CC 7a_100000210936_100000070051 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.84 CC=CCOc1ccccc1NC 34a_100000033821_100000070051 [0,1,0,0,0,0|2,0,1]=4 510 B13R1.84 CC=CCOc1ccccc1OC 34a_100000210385_100000070051 [0,1,0,0,0,0|1,0,1]=3 511 B13R1.84 CC=CCOc1ccccc1SC 34a_100011216402_100000070051 [0,1,0,0,0,0|1,1,1]=4 512 B13R1.84 CC=CCOc1cccnc1OC 34a_100000698397_100000070051 [0,1,0,0,0,0|2,0,1]=4 513 B13R1.84 CC=CCOc1cccnc1OC 7a_100000698397_100000070051 [0,1,0,0,0,0|2,0,1]=4 514 B13R1.84 CC=CCOc1cnccc1OC 34a_100000101186_100000070051 [0,1,0,0,0,0|2,0,1]=4 515 B13R1.84 CC=CCOc1ncccc1OC 34a_100025773188_100000070051 [0,1,0,0,0,0|2,0,1]=4 516 B13R1.84 CC=CCSc1ccccc1CC 62a_100000070051_100011215823 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.84 CC=CCSc1ccccc1CC 62a_100011215823_100000070051 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.84 CC=CCSc1ccccc1NC 62a_100000070051_100020606079 [0,1,0,0,0,0|2,0,1]=4 519 B13R1.84 CC=CCSc1ccccc1NC 62a_100020606079_100000070051 [0,1,0,0,0,0|2,0,1]=4 520 B13R1.84 CC=CCSc1ccccc1OC 62a_100000070051_100000210334 [0,1,0,0,0,0|1,0,1]=3 521 B13R1.84 CC=CCSc1ccccc1OC 62a_100000210334_100000070051 [0,1,0,0,0,0|1,0,1]=3 522 B13R1.84 CC=CCSc1ccccc1SC 62a_100000070051_100011217816 [0,1,0,0,0,0|1,1,1]=4 523 B13R1.84 CC=CCSc1ccccc1SC 62a_100011217816_100000070051 [0,1,0,0,0,0|1,1,1]=4 524 B13R1.84 CC=CCSc1cccnc1OC 62a_100000047025_100000070051 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.84 CC=CCSc1cccnc1OC 62a_100000070051_100000047025 [0,1,0,0,0,0|2,0,1]=4 526 B13R1.84 CC=CCSc1ccncc1OC 62a_100000070051_100016988167 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.84 CC=CCSc1ccncc1OC 62a_100016988167_100000070051 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.84 CC=CCSc1cnccc1OC 62a_100000070051_100011997281 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.84 CC=CCSc1cnccc1OC 62a_100011997281_100000070051 [0,1,0,0,0,0|2,0,1]=4 530 B13R1.84 CC=CCSc1ncccc1OC 62a_100000070051_100000690851 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.84 CC=CCSc1ncccc1OC 62a_100000767102_100000070051 [0,1,0,0,0,0|2,0,1]=4 532 B13R1.84 CC=NNCc1ccccc1OC 4a_100020605366_200000210099 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.84 CCC=NNc1ccccc1OC 4a_100000751209_100000210100 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.84 CCCC=Cc1ccccc1CC 271570a_100016258520_100011215823 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.84 CCCC=Cc1ccccc1NC 271570a_100016258520_100020606079 [0,1,0,0,0,0|2,0,1]=4 536 B13R1.84 CCCC=Cc1ccccc1OC 271570a_100016258520_100000174000 [0,1,0,0,0,0|1,0,1]=3 537 B13R1.84 CCCC=Cc1ccccc1SC 271570a_100016258520_100011217816 [0,1,0,0,0,0|1,1,1]=4 538 B13R1.84 CCCC=Cc1cccnc1OC 271570a_100016258520_100000047025 [0,1,0,0,0,0|2,0,1]=4 539 B13R1.84 CCCC=Cc1ccncc1OC 271570a_100016258520_100016988167 [0,1,0,0,0,0|2,0,1]=4 540 B13R1.84 CCCC=Cc1cnccc1OC 271570a_100016258520_100011997281 [0,1,0,0,0,0|2,0,1]=4 541 B13R1.84 CCCC=Cc1ncccc1OC 271570a_100016258520_100000690851 [0,1,0,0,0,0|2,0,1]=4 542 B13R1.84 CCNN=Cc1ccccc1OC 4a_100000756455_100000169842 [0,1,0,0,0,0|2,0,1]=4 543 B13R1.84 CCOC=Cc1ccccc1CC 271570a_100016256518_100011215823 [0,1,0,0,0,0|2,0,1]=4 544 B13R1.84 CCOC=Cc1ccccc1NC 271570a_100016256518_100020606079 [0,1,0,0,0,0|2,0,1]=4 545 B13R1.84 CCOC=Cc1ccccc1OC 271570a_100016256518_100000174000 [0,1,0,0,0,0|1,0,1]=3 546 B13R1.84 CCOC=Cc1ccccc1SC 271570a_100016256518_100011217816 [0,1,0,0,0,0|1,1,1]=4 547 B13R1.84 CCOC=Cc1cccnc1OC 271570a_100016256518_100000047025 [0,1,0,0,0,0|2,0,1]=4 548 B13R1.84 CCOC=Cc1ccncc1OC 271570a_100016256518_100016988167 [0,1,0,0,0,0|2,0,1]=4 549 B13R1.84 CCOC=Cc1cnccc1OC 271570a_100016256518_100011997281 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.84 CCOC=Cc1ncccc1OC 271570a_100016256518_100000690851 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.84 CCc1ccccc1C=CCOC 271570a_100016286323_100011215823 [0,1,0,0,0,0|1,0,2]=4 552 B13R1.84 CCc1ccccc1COCC=O 34a_100011663872_200009817547 [0,1,0,0,0,0|1,0,2]=4 553 B13R1.84 CCc1ccccc1COCC=O 7a_100011663872_200015260668 [0,1,0,0,0,0|1,0,2]=4 554 B13R1.84 CNCC=Cc1ccccc1OC 270004a_106832991635_100000210733 [0,1,0,0,0,0|1,0,1]=3 555 B13R1.84 CNc1ccccc1C=CCOC 271570a_100016286323_100020606079 [0,1,0,0,0,0|1,0,2]=4 556 B13R1.84 COCC=Cc1ccccc1OC 271570a_100016286323_100000174000 [0,1,0,0,0,0|0,0,2]=3 557 B13R1.84 COCC=Cc1ccccc1SC 271570a_100016286323_100011217816 [0,1,0,0,0,0|0,1,2]=4 558 B13R1.84 COCC=Cc1cccnc1OC 271570a_100016286323_100000047025 [0,1,0,0,0,0|1,0,2]=4 559 B13R1.84 COCC=Cc1ccncc1OC 271570a_100016286323_100016988167 [0,1,0,0,0,0|1,0,2]=4 560 B13R1.84 COCC=Cc1cnccc1OC 271570a_100016286323_100011997281 [0,1,0,0,0,0|1,0,2]=4 561 B13R1.84 COCC=Cc1ncccc1OC 271570a_100016286323_100000690851 [0,1,0,0,0,0|1,0,2]=4 562 B13R1.84 COc1ccccc1CNCC=O 34a_100000188900_200009817547 [0,1,0,0,0,0|0,0,2]=3 563 B13R1.84 COc1ccccc1COCC=O 34a_100000211301_200009817547 [0,1,0,0,0,0|0,0,2]=3 564 B13R1.84 COc1ccccc1CSCC=O 62a_100000210004_200015260668 [0,1,0,0,0,0|0,0,2]=3 565 B13R1.84 COc1ccccc1CSCC=O 62a_200015260668_100000210004 [0,1,0,0,0,0|0,0,2]=3 566 B13R1.84 COc1cccnc1COCC=O 34a_100011998681_200009817547 [0,1,0,0,0,0|1,0,2]=4 567 B13R1.84 COc1cnccc1CSCC=O 62a_100020635607_200015260668 [0,1,0,0,0,0|1,0,2]=4 568 B13R1.84 COc1cnccc1CSCC=O 62a_200015260668_100020635607 [0,1,0,0,0,0|1,0,2]=4 569 B13R1.84 COc1ncccc1COCC=O 34a_100000717863_200009817547 [0,1,0,0,0,0|1,0,2]=4 570 B13R1.84 COc1ncccc1CSCC=O 62a_100020631285_200015260668 [0,1,0,0,0,0|1,0,2]=4 571 B13R1.84 COc1ncccc1CSCC=O 62a_200015260668_100020631285 [0,1,0,0,0,0|1,0,2]=4 572 B13R1.84 CSc1ccccc1CNCC=O 34a_102495365025_200009817547 [0,1,0,0,0,0|0,1,2]=4 573 B13R1.84 CSc1ccccc1COCC=O 34a_100000699167_200009817547 [0,1,0,0,0,0|0,1,2]=4 574 B13R1.84 CSc1ccccc1CSCC=O 62a_100000699184_200015260668 [0,1,0,0,0,0|0,1,2]=4 575 B13R1.84 CSc1ccccc1CSCC=O 62a_200015260668_100000699184 [0,1,0,0,0,0|0,1,2]=4 576 B13R1.90 C=C(C)CNc1ccccc1OC 34a_100000210025_100000748629 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [0,1,0,0,0,0|2,0,1]=4 578 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000210334_100000211660 [0,1,0,0,0,0|2,0,1]=4 579 B13R1.90 C=C(C)CSc1ccccc1OC 62a_100000748629_100000210334 [0,1,0,0,0,0|2,0,1]=4 580 B13R1.90 C=C(F)CNc1ccccc1OC 34a_100000210025_100009893438 [0,1,0,0,0,0|2,0,1]=4 581 B13R1.90 C=C(F)COc1ccccc1OC 34a_100000210385_100009893438 [0,1,0,0,0,0|2,0,1]=4 582 B13R1.90 C=C(F)CSc1ccccc1OC 62a_100000042424_100000210334 [0,1,0,0,0,0|2,0,1]=4 583 B13R1.90 C=C(F)CSc1ccccc1OC 62a_100000210334_100000042424 [0,1,0,0,0,0|2,0,1]=4 584 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [0,1,0,0,0,0|2,0,0]=3 585 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 34a_200011628774_200025704644 [0,1,0,0,0,0|1,0,1]=3 586 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 7a_200011628774_200025704644 [0,1,0,0,0,0|1,0,1]=3 587 B13R1.90 CC(=O)NCc1ccccc1S[13CH3] 62a_100011237613_200025704644 [0,1,0,0,0,0|1,1,1]=4 588 B13R1.90 CC(=O)NCc1ccccc1S[13CH3] 62a_200025704644_100011237613 [0,1,0,0,0,0|1,1,1]=4 589 B13R1.90 CCc1ccccc1C=CC(C)C 271570a_100016257149_100011215823 [0,1,0,0,0,0|2,0,1]=4 590 B13R1.90 CCc1ccccc1C=CC(C)O 271570a_200011019289_100011215823 [0,1,0,0,0,0|1,0,2]=4 591 B13R1.90 CCc1ccccc1NCC(=O)N 2230a_100000212081_100000747473 [0,1,0,0,0,0|2,0,1]=4 592 B13R1.90 CCc1ccccc1NCC(=O)N 34a_100000212081_100000187820 [0,1,0,0,0,0|2,0,1]=4 593 B13R1.90 CCc1ccccc1NCC(=O)N 7a_100000212081_100000187820 [0,1,0,0,0,0|2,0,1]=4 594 B13R1.90 CCc1ccccc1NCC(=O)[O-] 34a_100000212081_100020667443 [0,1,0,0,0,0|2,0,1]=4 595 B13R1.90 CCc1ccccc1NNC(=O)C 22a_100000737054_100000070787 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [0,1,0,0,0,0|2,0,1]=4 597 B13R1.90 CCc1ccccc1OCC(=O)N 34a_100000210936_100000187820 [0,1,0,0,0,0|2,0,1]=4 598 B13R1.90 CCc1ccccc1OCC(=O)N 7a_100000210936_100000187820 [0,1,0,0,0,0|2,0,1]=4 599 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.90 CCc1ccccc1OCC(=O)[O-] 34a_100000210936_100020667443 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100000747473_100011215823 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100011215823_100000747473 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.90 CCc1ccccc1SCC(=O)[O-] 62a_100011215823_100020667443 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.90 CCc1ccccc1SCC(=O)[O-] 62a_100020667443_100011215823 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.90 CNc1ccccc1C=CC(C)C 271570a_100016257149_100020606079 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [0,1,0,0,0,0|1,0,2]=4 607 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.90 CNc1ccccc1OCC(=O)[O-] 34a_100000033821_100020667443 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100000747473_100020606079 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100020606079_100000747473 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.90 CNc1ccccc1SCC(=O)N 7a_100000187061_200000210301 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020606079_100020667443 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020667443_100020606079 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,1,0,0,0,0|0,0,0]=1 615 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,1,0,0,0,0|0,0,0]=1 616 B13R1.90 COc1ccccc1C=CC(C)C 271570a_100016257149_100000174000 [0,1,0,0,0,0|1,0,1]=3 617 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [0,1,0,0,0,0|0,0,2]=3 618 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [0,1,0,0,0,0|0,0,2]=3 619 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [0,1,0,0,0,0|0,0,2]=3 620 B13R1.90 COc1ccccc1CCC(=O)N 34a_100011200845_200000210301 [0,1,0,0,0,0|0,0,2]=3 621 B13R1.90 COc1ccccc1CCC(=O)N 7a_100011200845_200000210301 [0,1,0,0,0,0|0,0,2]=3 622 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [0,1,0,0,0,0|0,0,2]=3 623 B13R1.90 COc1ccccc1CNC(=O)C 11a_100000188900_100015343762 [0,1,0,0,0,0|1,0,1]=3 624 B13R1.90 COc1ccccc1CNC(=O)C 1626a_100000188900_100015343762 [0,1,0,0,0,0|1,0,1]=3 625 B13R1.90 COc1ccccc1CNC(=O)C 240690a_100000188900_100015343762 [0,1,0,0,0,0|1,0,1]=3 626 B13R1.90 COc1ccccc1CNC(=O)C 34a_200011628774_200000210301 [0,1,0,0,0,0|1,0,1]=3 627 B13R1.90 COc1ccccc1CNC(=O)C 527a_100000188900_100103153847 [0,1,0,0,0,0|1,0,1]=3 628 B13R1.90 COc1ccccc1CNC(=O)C 7a_200011628774_200000210301 [0,1,0,0,0,0|1,0,1]=3 629 B13R1.90 COc1ccccc1NCC(=O)N 34a_100000210025_100000187820 [0,1,0,0,0,0|1,0,1]=3 630 B13R1.90 COc1ccccc1NCC(=O)[O-] 34a_100000210025_100020667443 [0,1,0,0,0,0|1,0,1]=3 631 B13R1.90 COc1ccccc1NC[N+](=O)[O-] 34a_100000210025_100000761209 [0,1,0,0,0,0|2,0,1]=4 632 B13R1.90 COc1ccccc1NNC(=O)C 22a_100000751209_100000070787 [0,1,0,0,0,0|2,0,0]=3 633 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [0,1,0,0,0,0|1,0,1]=3 634 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [0,1,0,0,0,0|1,0,1]=3 635 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [0,1,0,0,0,0|1,0,1]=3 636 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [0,1,0,0,0,0|1,0,1]=3 637 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [0,1,0,0,0,0|1,0,1]=3 638 B13R1.90 COc1ccccc1OC[N+](=O)[O-] 34a_100000210385_100000761209 [0,1,0,0,0,0|2,0,1]=4 639 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000210334_100000747473 [0,1,0,0,0,0|1,0,1]=3 640 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000747473_100000210334 [0,1,0,0,0,0|1,0,1]=3 641 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100000210334_100020667443 [0,1,0,0,0,0|1,0,1]=3 642 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210334 [0,1,0,0,0,0|1,0,1]=3 643 B13R1.90 COc1ccccc1SC[N+](=O)[O-] 62a_100000210334_100000761209 [0,1,0,0,0,0|2,0,1]=4 644 B13R1.90 COc1cccnc1C=CC(C)C 271570a_100016257149_100000690851 [0,1,0,0,0,0|2,0,1]=4 645 B13R1.90 COc1cccnc1C=CC(C)O 271570a_200011019289_100000690851 [0,1,0,0,0,0|1,0,2]=4 646 B13R1.90 COc1cccnc1NNC(=O)C 22a_100012020716_100000070787 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.90 COc1cccnc1OCC(=O)N 34a_100025773188_100000187820 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.90 COc1cccnc1OCC(=O)[O-] 34a_100025773188_100020667443 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.90 COc1cccnc1SCC(=O)N 62a_100000747473_100000690851 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.90 COc1cccnc1SCC(=O)N 62a_100000767102_100000747473 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.90 COc1cccnc1SCC(=O)[O-] 62a_100000767102_100020667443 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.90 COc1cccnc1SCC(=O)[O-] 62a_100020667443_100000690851 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.90 COc1ccncc1C=CC(C)C 271570a_100016257149_100011997281 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.90 COc1ccncc1C=CC(C)O 271570a_200011019289_100011997281 [0,1,0,0,0,0|1,0,2]=4 655 B13R1.90 COc1ccncc1OCC(=O)N 34a_100000101186_100000187820 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.90 COc1ccncc1OCC(=O)[O-] 34a_100000101186_100020667443 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.90 COc1ccncc1SCC(=O)N 62a_100000747473_100011997281 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.90 COc1ccncc1SCC(=O)N 62a_100011997281_100000747473 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.90 COc1ccncc1SCC(=O)[O-] 62a_100011997281_100020667443 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.90 COc1ccncc1SCC(=O)[O-] 62a_100020667443_100011997281 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.90 COc1cnccc1C=CC(C)C 271570a_100016257149_100016988167 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.90 COc1cnccc1C=CC(C)O 271570a_200011019289_100016988167 [0,1,0,0,0,0|1,0,2]=4 663 B13R1.90 COc1cnccc1SCC(=O)N 62a_100000747473_100016988167 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.90 COc1cnccc1SCC(=O)N 62a_100016988167_100000747473 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.90 COc1cnccc1SCC(=O)[O-] 62a_100016988167_100020667443 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.90 COc1cnccc1SCC(=O)[O-] 62a_100020667443_100016988167 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [0,1,0,0,0,0|1,0,0]=2 668 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [0,1,0,0,0,0|1,0,0]=2 669 B13R1.90 COc1ncccc1C=CC(C)C 271570a_100016257149_100000047025 [0,1,0,0,0,0|2,0,1]=4 670 B13R1.90 COc1ncccc1C=CC(C)O 271570a_200011019289_100000047025 [0,1,0,0,0,0|1,0,2]=4 671 B13R1.90 COc1ncccc1CNC(=O)C 11a_100102524934_100015343762 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.90 COc1ncccc1CNC(=O)C 1626a_100102524934_100015343762 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.90 COc1ncccc1CNC(=O)C 240690a_100102524934_100015343762 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.90 COc1ncccc1CNC(=O)C 527a_100102524934_100103153847 [0,1,0,0,0,0|2,0,1]=4 675 B13R1.90 COc1ncccc1NNC(=O)C 22a_100159270702_100000070787 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.90 COc1ncccc1OCC(=O)N 34a_100000698397_100000187820 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.90 COc1ncccc1OCC(=O)N 7a_100000698397_100000187820 [0,1,0,0,0,0|2,0,1]=4 678 B13R1.90 COc1ncccc1OCC(=O)[O-] 34a_100000698397_100020667443 [0,1,0,0,0,0|2,0,1]=4 679 B13R1.90 COc1ncccc1SCC(=O)N 62a_100000047025_100000747473 [0,1,0,0,0,0|2,0,1]=4 680 B13R1.90 COc1ncccc1SCC(=O)N 62a_100000747473_100000047025 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.90 COc1ncccc1SCC(=O)[O-] 62a_100000047025_100020667443 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.90 COc1ncccc1SCC(=O)[O-] 62a_100020667443_100000047025 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.90 CSc1ccccc1C=CC(C)C 271570a_100016257149_100011217816 [0,1,0,0,0,0|1,1,1]=4 684 B13R1.90 CSc1ccccc1C=CC(C)O 271570a_200011019289_100011217816 [0,1,0,0,0,0|0,1,2]=4 685 B13R1.90 CSc1ccccc1CCC(=O)N 62a_100009814947_200000210301 [0,1,0,0,0,0|0,1,2]=4 686 B13R1.90 CSc1ccccc1CCC(=O)N 62a_200000210301_100009814947 [0,1,0,0,0,0|0,1,2]=4 687 B13R1.90 CSc1ccccc1CNC(=O)C 11a_102495365025_100015343762 [0,1,0,0,0,0|1,1,1]=4 688 B13R1.90 CSc1ccccc1CNC(=O)C 1626a_102495365025_100015343762 [0,1,0,0,0,0|1,1,1]=4 689 B13R1.90 CSc1ccccc1CNC(=O)C 240690a_102495365025_100015343762 [0,1,0,0,0,0|1,1,1]=4 690 B13R1.90 CSc1ccccc1CNC(=O)C 527a_102495365025_100103153847 [0,1,0,0,0,0|1,1,1]=4 691 B13R1.90 CSc1ccccc1CNC(=O)C 62a_100011237613_200000210301 [0,1,0,0,0,0|1,1,1]=4 692 B13R1.90 CSc1ccccc1CNC(=O)C 62a_200000210301_100011237613 [0,1,0,0,0,0|1,1,1]=4 693 B13R1.90 CSc1ccccc1NCC(=O)N 34a_100000211160_100000187820 [0,1,0,0,0,0|1,1,1]=4 694 B13R1.90 CSc1ccccc1NCC(=O)[O-] 34a_100000211160_100020667443 [0,1,0,0,0,0|1,1,1]=4 695 B13R1.90 CSc1ccccc1OCC(=O)N 34a_100011216402_100000187820 [0,1,0,0,0,0|1,1,1]=4 696 B13R1.90 CSc1ccccc1OCC(=O)N 62a_200000148491_200000210301 [0,1,0,0,0,0|1,1,1]=4 697 B13R1.90 CSc1ccccc1OCC(=O)[O-] 34a_100011216402_100020667443 [0,1,0,0,0,0|1,1,1]=4 698 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100000747473_100011217816 [0,1,0,0,0,0|1,1,1]=4 699 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100011217816_100000747473 [0,1,0,0,0,0|1,1,1]=4 700 B13R1.90 CSc1ccccc1SCC(=O)[O-] 62a_100011217816_100020667443 [0,1,0,0,0,0|1,1,1]=4 701 B13R1.90 CSc1ccccc1SCC(=O)[O-] 62a_100020667443_100011217816 [0,1,0,0,0,0|1,1,1]=4 702 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [0,1,0,0,0,0|2,0,0]=3 703 B13R1.90 [13CH3]Nc1ccccc1SCC(=O)N 7a_100000187061_200025704644 [0,1,0,0,0,0|2,0,1]=4 704 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 34a_100011200845_200025704644 [0,1,0,0,0,0|0,0,2]=3 705 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 7a_100011200845_200025704644 [0,1,0,0,0,0|0,0,2]=3 706 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [0,1,0,0,0,0|1,0,1]=3 707 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_100009814947_200025704644 [0,1,0,0,0,0|0,1,2]=4 708 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_200025704644_100009814947 [0,1,0,0,0,0|0,1,2]=4 709 B13R1.90 [13CH3]Sc1ccccc1OCC(=O)N 62a_200000148491_200025704644 [0,1,0,0,0,0|1,1,1]=4 710 B13R1.91 C#CC(=O)Cc1ccccc1OC 1458a_100000211873_100000210004 [0,1,0,0,0,0|1,0,2]=4 711 B13R1.91 C=CC(=O)Cc1ccccc1OC 1458a_100000185746_100000210004 [0,1,0,0,0,0|1,0,1]=3 712 B13R1.91 C=CC(=O)Cc1ccccc1SC 1458a_100000185746_100000699184 [0,1,0,0,0,0|1,1,1]=4 713 B13R1.91 C=CC(=O)Cc1cccnc1OC 1458a_100000185746_100020631285 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.91 C=CC(=O)Cc1ccncc1OC 1458a_100000185746_100020635607 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.91 C=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000185746 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.91 C=CC(=O)Nc1ccccc1CC 22a_100000212081_100000185746 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.91 C=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000185746 [0,1,0,0,0,0|2,0,0]=3 718 B13R1.91 C=CC(=O)Nc1ccccc1OC 22a_100000210025_100000185746 [0,1,0,0,0,0|2,0,0]=3 719 B13R1.91 C=CC(=O)Nc1ccccc1SC 22a_100000211160_100000185746 [0,1,0,0,0,0|2,1,0]=4 720 B13R1.91 C=CC(C)Sc1ccccc1OC 62a_100011215867_100000210334 [0,1,0,0,0,0|2,0,1]=4 721 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,1,0,0,0,0|1,0,2]=4 722 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,1,0,0,0,0|1,0,2]=4 723 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,1,0,0,0,0|2,0,1]=4 724 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,1,0,0,0,0|2,0,1]=4 726 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.91 COC(=O)Cc1ccccc1OC 7a_100000758901_200000210301 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.91 COC(=O)Cc1ccccc1O[13CH3] 7a_100000758901_200025704644 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.91 COc1ccccc1CC(=O)CF 1458a_100000211604_100015361967 [0,1,0,0,0,0|1,0,2]=4 735 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,1,0,0,0,0|0,0,3]=4 736 B13R1.91 COc1ccccc1CC(=O)NN 34a_200012021708_200000210301 [0,1,0,0,0,0|2,0,1]=4 737 B13R1.91 COc1ccccc1NC(=O)CCl 7a_100000014494_200000210301 [0,1,0,0,0,0|2,0,1]=4 738 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,1,0,0,0,0|1,0,2]=4 739 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,1,0,0,0,0|1,0,2]=4 740 B13R1.91 [13CH3]Oc1ccccc1CC(=O)NN 34a_200012021708_200025704644 [0,1,0,0,0,0|2,0,1]=4 741 B13R1.91 [13CH3]Oc1ccccc1NC(=O)CCl 7a_100000014494_200025704644 [0,1,0,0,0,0|2,0,1]=4 742 B13R1.464 C#CCC(=O)c1ccccc1OC 1458a_100000185835_100000184674 [0,1,0,0,0,0|1,0,2]=4 743 B13R1.464 C=CCC(=O)c1ccccc1CC 1458a_100000689120_100000210623 [0,1,0,0,0,0|2,0,1]=4 744 B13R1.464 C=CCC(=O)c1ccccc1OC 1458a_100000185835_100000210623 [0,1,0,0,0,0|1,0,1]=3 745 B13R1.464 C=CCC(=O)c1ccccc1SC 1458a_100000183967_100000210623 [0,1,0,0,0,0|1,1,1]=4 746 B13R1.464 C=CCN(C)c1ccccc1OC 2230a_100000219746_100000210623 [0,1,0,0,0,0|2,0,1]=4 747 B13R1.464 C=CCN(C)c1ccccc1OC 269982a_100000219746_100000210623 [0,1,0,0,0,0|2,0,1]=4 748 B13R1.464 C=CCN(C)c1ccccc1OC 34a_100000219746_100015514636 [0,1,0,0,0,0|2,0,1]=4 749 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000036168_200000210301 [0,1,0,0,0,0|2,1,0]=4 750 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000210301_200000036168 [0,1,0,0,0,0|2,1,0]=4 751 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200000036168_200025704644 [0,1,0,0,0,0|2,1,0]=4 752 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000036168 [0,1,0,0,0,0|2,1,0]=4 753 B13R1.464 CCCC(=O)c1ccccc1OC 1458a_100000185835_100000210303 [0,1,0,0,0,0|1,0,2]=4 754 B13R1.464 CCCC(=O)c1ccccc1OC 34a_200000073644_200000210301 [0,1,0,0,0,0|1,0,2]=4 755 B13R1.464 CCCC(=O)c1ccccc1OC 7a_200000073644_200000210301 [0,1,0,0,0,0|1,0,2]=4 756 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 34a_200000073644_200025704644 [0,1,0,0,0,0|1,0,2]=4 757 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 7a_200000073644_200025704644 [0,1,0,0,0,0|1,0,2]=4 758 B13R1.464 CCNC(=O)c1ccccc1OC 11a_100015525214_100000185835 [0,1,0,0,0,0|2,0,1]=4 759 B13R1.464 CCNC(=O)c1ccccc1OC 240690a_100015525214_100000185835 [0,1,0,0,0,0|2,0,1]=4 760 B13R1.464 CCNC(=O)c1ccccc1OC 34a_100000192205_200000210301 [0,1,0,0,0,0|2,0,1]=4 761 B13R1.464 CCNC(=O)c1ccccc1OC 527a_100015525214_100000185835 [0,1,0,0,0,0|2,0,1]=4 762 B13R1.464 CCNC(=O)c1ccccc1OC 7a_100000192205_200000210301 [0,1,0,0,0,0|2,0,1]=4 763 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 34a_100000192205_200025704644 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 7a_100000192205_200025704644 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [0,1,0,0,0,0|2,0,1]=4 766 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [0,1,0,0,0,0|2,0,1]=4 767 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [0,1,0,0,0,0|2,0,1]=4 768 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [0,1,0,0,0,0|2,0,1]=4 769 B13R1.464 CNNC(=O)c1ccccc1OC 22a_100016993582_100000185835 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.464 COCC(=O)c1ccccc1OC 34a_100138415774_100000195505 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.464 COc1ccccc1C(=O)CC#N 1458a_100000185835_100011214920 [0,1,0,0,0,0|1,0,2]=4 772 B13R1.464 COc1ccccc1C(=O)CC#N 7a_200009873261_200000210301 [0,1,0,0,0,0|1,0,2]=4 773 B13R1.464 COc1ccccc1C(=O)CCCl 7a_100009873196_200000210301 [0,1,0,0,0,0|1,0,2]=4 774 B13R1.464 COc1ccccc1C(=O)CCF 1458a_100000185835_100011217306 [0,1,0,0,0,0|1,0,2]=4 775 B13R1.464 COc1ccccc1C(=O)CCO 1458a_100000185835_100000211926 [0,1,0,0,0,0|0,0,3]=4 776 B13R1.464 COc1ccccc1C(=O)CSC 62a_100000195505_200000210301 [0,1,0,0,0,0|2,0,1]=4 777 B13R1.464 COc1ccccc1C(=O)CS[13CH3] 62a_100000195505_200025704644 [0,1,0,0,0,0|2,0,1]=4 778 B13R1.464 COc1ccccc1N(C)CC=O 2230a_100000219746_200015260668 [0,1,0,0,0,0|1,0,1]=3 779 B13R1.464 COc1ccccc1N(C)CC=O 269982a_100000219746_200015260668 [0,1,0,0,0,0|1,0,1]=3 780 B13R1.464 COc1ccccc1N(C)CC=O 34a_100000219746_200009817547 [0,1,0,0,0,0|1,0,1]=3 781 B13R1.464 [13CH3]Oc1ccccc1C(=O)CC#N 7a_200009873261_200025704644 [0,1,0,0,0,0|1,0,2]=4 782 B13R1.464 [13CH3]Oc1ccccc1C(=O)CCCl 7a_100009873196_200025704644 [0,1,0,0,0,0|1,0,2]=4 783 B13R1.485 C/C=C/c1ccccc1OCC=O 34a_200000189419_200009817547 [0,1,0,0,0,0|2,0,1]=4 784 B13R1.485 C/C=C/c1ccccc1OCC=O 7a_200000189419_200015260668 [0,1,0,0,0,0|2,0,1]=4 785 B13R1.485 C=CCNc1ccccc1OCC 34a_100000211218_100015514636 [0,1,0,0,0,0|2,0,1]=4 786 B13R1.485 C=CCOc1ccccc1COC 34a_100000246290_200000210301 [0,1,0,0,0,0|2,0,1]=4 787 B13R1.485 C=CCOc1ccccc1COC 34a_100011488565_100015514636 [0,1,0,0,0,0|2,0,1]=4 788 B13R1.485 C=CCOc1ccccc1COC 7a_100000246290_200000210301 [0,1,0,0,0,0|2,0,1]=4 789 B13R1.485 C=CCOc1ccccc1COC 7a_100011488565_100015514636 [0,1,0,0,0,0|2,0,1]=4 790 B13R1.485 C=CCOc1ccccc1CO[13CH3] 34a_100000246290_200025704644 [0,1,0,0,0,0|2,0,1]=4 791 B13R1.485 C=CCOc1ccccc1CO[13CH3] 7a_100000246290_200025704644 [0,1,0,0,0,0|2,0,1]=4 792 B13R1.485 C=CCOc1ccccc1OCC 34a_100000211404_100015514636 [0,1,0,0,0,0|2,0,1]=4 793 B13R1.485 C=CCOc1ccccc1OCC 34a_200011262142_100000210202 [0,1,0,0,0,0|2,0,1]=4 794 B13R1.485 C=CCOc1ccccc1OCC 7a_100000211404_100015514636 [0,1,0,0,0,0|2,0,1]=4 795 B13R1.485 C=CCOc1ccccc1OCC 7a_200011262142_100000210202 [0,1,0,0,0,0|2,0,1]=4 796 B13R1.485 C=CCOc1ccccc1OCF 34a_200011262142_100015361967 [0,1,0,0,0,0|2,0,1]=4 797 B13R1.485 C=CCOc1ccccc1OCF 7a_200011262142_100015361967 [0,1,0,0,0,0|2,0,1]=4 798 B13R1.485 C=CCSc1ccccc1COC 62a_100000210623_100011493684 [0,1,0,0,0,0|2,0,1]=4 799 B13R1.485 C=CCSc1ccccc1COC 62a_100011493684_100000210623 [0,1,0,0,0,0|2,0,1]=4 800 B13R1.485 C=CCSc1ccccc1OCC 62a_100000210623_100000230754 [0,1,0,0,0,0|2,0,1]=4 801 B13R1.485 C=CCSc1ccccc1OCC 62a_100000230754_100000210623 [0,1,0,0,0,0|2,0,1]=4 802 B13R1.485 CC=Cc1ccccc1CCC=O 271570a_100016259895_100011713448 [0,1,0,0,0,0|1,0,2]=4 803 B13R1.485 CC=NNc1ccccc1OCC 4a_200020603589_200000210099 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.485 CCCc1ccccc1NCC=O 2230a_100000737634_200015260668 [0,1,0,0,0,0|2,0,1]=4 805 B13R1.485 CCCc1ccccc1NCC=O 34a_100000737634_200009817547 [0,1,0,0,0,0|2,0,1]=4 806 B13R1.485 CCCc1ccccc1NCC=O 7a_100000737634_200015260668 [0,1,0,0,0,0|2,0,1]=4 807 B13R1.485 CCCc1ccccc1OCC=O 34a_100011217252_200009817547 [0,1,0,0,0,0|2,0,1]=4 808 B13R1.485 CCCc1ccccc1OCC=O 7a_100011217252_200015260668 [0,1,0,0,0,0|2,0,1]=4 809 B13R1.485 CCNc1ccccc1OCC=O 34a_103624766699_200009817547 [0,1,0,0,0,0|2,0,1]=4 810 B13R1.485 CCNc1ccccc1OCC=O 7a_103624766699_200015260668 [0,1,0,0,0,0|2,0,1]=4 811 B13R1.485 CCNc1ccccc1SCC=O 62a_114873767003_200015260668 [0,1,0,0,0,0|2,0,1]=4 812 B13R1.485 CCNc1ccccc1SCC=O 62a_200015260668_114873767003 [0,1,0,0,0,0|2,0,1]=4 813 B13R1.485 CCOc1ccccc1NCC=O 34a_100000211218_200009817547 [0,1,0,0,0,0|1,0,1]=3 814 B13R1.485 CCOc1ccccc1OCC=O 34a_100000211404_200009817547 [0,1,0,0,0,0|1,0,1]=3 815 B13R1.485 CCOc1ccccc1OCC=O 7a_100000211404_200015260668 [0,1,0,0,0,0|1,0,1]=3 816 B13R1.485 CCOc1ccccc1SCC=O 62a_100000230754_200015260668 [0,1,0,0,0,0|1,0,1]=3 817 B13R1.485 CCOc1ccccc1SCC=O 62a_200015260668_100000230754 [0,1,0,0,0,0|1,0,1]=3 818 B13R1.485 CCOc1cccnc1SCC=O 62a_100011597540_200015260668 [0,1,0,0,0,0|2,0,1]=4 819 B13R1.485 CCOc1cccnc1SCC=O 62a_200015260668_100011597540 [0,1,0,0,0,0|2,0,1]=4 820 B13R1.485 CCOc1ncccc1OCC=O 34a_100011998697_200009817547 [0,1,0,0,0,0|2,0,1]=4 821 B13R1.485 CCOc1ncccc1SCC=O 62a_100011465154_200015260668 [0,1,0,0,0,0|2,0,1]=4 822 B13R1.485 CCOc1ncccc1SCC=O 62a_200015260668_100011465154 [0,1,0,0,0,0|2,0,1]=4 823 B13R1.485 CCSc1ccccc1/C=C/C=O 62a_100000210202_200016268969 [0,1,0,0,0,0|0,1,0]=2 824 B13R1.485 CCSc1ccccc1/C=C/C=O 62a_200016268969_100000210202 [0,1,0,0,0,0|0,1,0]=2 825 B13R1.485 CCSc1ccccc1CCC=O 62a_100000210202_100011713448 [0,1,0,0,0,0|0,1,2]=4 826 B13R1.485 CCSc1ccccc1CCC=O 62a_100011713448_100000210202 [0,1,0,0,0,0|0,1,2]=4 827 B13R1.485 CCSc1ccccc1NCC=O 34a_100011223125_200009817547 [0,1,0,0,0,0|1,1,1]=4 828 B13R1.485 CCSc1ccccc1SCC=O 62a_100000230856_200015260668 [0,1,0,0,0,0|1,1,1]=4 829 B13R1.485 CCSc1ccccc1SCC=O 62a_200015260668_100000230856 [0,1,0,0,0,0|1,1,1]=4 830 B13R1.485 CNCc1ccccc1OCC=O 34a_100015189988_200009817547 [0,1,0,0,0,0|2,0,1]=4 831 B13R1.485 CNCc1ccccc1SCC=O 62a_100000184654_200015260668 [0,1,0,0,0,0|2,0,1]=4 832 B13R1.485 CNCc1ccccc1SCC=O 62a_200015260668_100000184654 [0,1,0,0,0,0|2,0,1]=4 833 B13R1.485 COCc1ccccc1OCC=O 34a_100011488565_200009817547 [0,1,0,0,0,0|1,0,1]=3 834 B13R1.485 COCc1ccccc1OCC=O 7a_100011488565_200015260668 [0,1,0,0,0,0|1,0,1]=3 835 B13R1.485 COCc1ccccc1SCC=O 62a_100011493684_200015260668 [0,1,0,0,0,0|1,0,1]=3 836 B13R1.485 COCc1ccccc1SCC=O 62a_200015260668_100011493684 [0,1,0,0,0,0|1,0,1]=3 837 B13R1.485 CSCc1ccccc1SCC=O 62a_100000148299_200015260668 [0,1,0,0,0,0|1,1,1]=4 838 B13R1.485 CSCc1ccccc1SCC=O 62a_200015260668_100000148299 [0,1,0,0,0,0|1,1,1]=4 839 B13R1.485 NCCc1ccccc1OCC=O 34a_100011207237_200009817547 [0,1,0,0,0,0|2,0,1]=4 840 B13R1.485 NCCc1ccccc1SCC=O 62a_100000747383_200015260668 [0,1,0,0,0,0|2,0,1]=4 841 B13R1.485 NCCc1ccccc1SCC=O 62a_200015260668_100000747383 [0,1,0,0,0,0|2,0,1]=4 842 B13R1.485 O=C/C=C/c1ccccc1SCF 62a_100015361967_200016268969 [0,1,0,0,0,0|0,1,0]=2 843 B13R1.485 O=C/C=C/c1ccccc1SCF 62a_200016268969_100015361967 [0,1,0,0,0,0|0,1,0]=2 844 B13R1.485 O=CCCc1ccccc1SCF 62a_100011713448_100015361967 [0,1,0,0,0,0|0,1,2]=4 845 B13R1.485 O=CCCc1ccccc1SCF 62a_100015361967_100011713448 [0,1,0,0,0,0|0,1,2]=4 846 B13R1.485 O=CCNc1ccccc1CCO 2230a_100011215289_200015260668 [0,1,0,0,0,0|2,0,1]=4 847 B13R1.485 O=CCNc1ccccc1CCO 34a_100011215289_200009817547 [0,1,0,0,0,0|2,0,1]=4 848 B13R1.485 O=CCOc1ccccc1CCBr 34a_100000722297_200009817547 [0,1,0,0,0,0|2,0,1]=4 849 B13R1.485 O=CCOc1ccccc1CCBr 7a_100000722297_200015260668 [0,1,0,0,0,0|2,0,1]=4 850 B13R1.485 O=CCOc1ccccc1CCO 34a_100000719421_200009817547 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.485 O=CCOc1ccccc1CCO 7a_100000719421_200015260668 [0,1,0,0,0,0|2,0,1]=4 852 B13R1.485 O=CCSc1ccccc1CCO 62a_100000731337_200015260668 [0,1,0,0,0,0|2,0,1]=4 853 B13R1.485 O=CCSc1ccccc1CCO 62a_200015260668_100000731337 [0,1,0,0,0,0|2,0,1]=4 854 B13R1.556 C=CCNc1cc(ccc1OC)Br 34a_100000743470_100015514636 [0,1,0,0,0,0|2,0,1]=4 855 B13R1.556 C=CCNc1cc(ccc1OC)C 2230a_100000210980_100000210623 [0,1,0,0,0,0|2,0,1]=4 856 B13R1.556 C=CCNc1cc(ccc1OC)C 34a_100000210980_100015514636 [0,1,0,0,0,0|2,0,1]=4 857 B13R1.556 C=CCNc1cc(ccc1OC)Cl 34a_100000182114_100015514636 [0,1,0,0,0,0|2,0,1]=4 858 B13R1.556 C=CCNc1cc(ccc1OC)F 34a_100000757179_100015514636 [0,1,0,0,0,0|2,0,1]=4 859 B13R1.556 C=CCOc1cc(ccc1OC)Br 34a_100009816560_100015514636 [0,1,0,0,0,0|2,0,1]=4 860 B13R1.556 C=CCOc1cc(ccc1OC)Br 7a_100009816560_100015514636 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.556 C=CCOc1cc(ccc1OC)C 34a_100011216497_100015514636 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.556 C=CCOc1cc(ccc1OC)C 7a_100011216497_100015514636 [0,1,0,0,0,0|2,0,1]=4 863 B13R1.556 C=CCOc1cc(ccc1OC)Cl 34a_100000101779_100015514636 [0,1,0,0,0,0|2,0,1]=4 864 B13R1.556 C=CCOc1cc(ccc1OC)Cl 7a_100000101779_100015514636 [0,1,0,0,0,0|2,0,1]=4 865 B13R1.556 C=CCOc1cc(ccc1OC)F 34a_100000034962_100015514636 [0,1,0,0,0,0|2,0,1]=4 866 B13R1.556 C=CCOc1cc(ccc1OC)F 7a_100000034962_100015514636 [0,1,0,0,0,0|2,0,1]=4 867 B13R1.556 C=CCOc1cc(ccc1OC)N 34a_100000211920_100015514636 [0,1,0,0,0,0|2,0,1]=4 868 B13R1.556 C=CCSc1cc(ccc1OC)Br 62a_100000210623_100012351588 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.556 C=CCSc1cc(ccc1OC)Br 62a_100012351588_100000210623 [0,1,0,0,0,0|2,0,1]=4 870 B13R1.556 C=CCSc1cc(ccc1OC)C 62a_100000186399_100000210623 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.556 C=CCSc1cc(ccc1OC)C 62a_100000210623_100000186399 [0,1,0,0,0,0|2,0,1]=4 872 B13R1.556 C=CCSc1cc(ccc1OC)Cl 62a_100000210623_100011215930 [0,1,0,0,0,0|2,0,1]=4 873 B13R1.556 C=CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210623 [0,1,0,0,0,0|2,0,1]=4 874 B13R1.556 C=CCSc1cc(ccc1OC)F 62a_100000171694_100000210623 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.556 C=CCSc1cc(ccc1OC)F 62a_100000210623_100000171694 [0,1,0,0,0,0|2,0,1]=4 876 B13R1.556 C=CCSc1cc(ccc1OC)N 62a_100000210623_100011356947 [0,1,0,0,0,0|2,0,1]=4 877 B13R1.556 C=CCSc1cc(ccc1OC)N 62a_100011356947_100000210623 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.556 C=CCSc1cc(ccc1OC)O 62a_100000210623_100010234764 [0,1,0,0,0,0|2,0,1]=4 879 B13R1.556 C=CCSc1cc(ccc1OC)O 62a_100010234764_100000210623 [0,1,0,0,0,0|2,0,1]=4 880 B13R1.556 CC=NNc1cc(ccc1OC)Cl 4a_100020603255_200000210099 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.556 CCc1ccc(cc1NCC=O)Br 2230a_100012354963_200015260668 [0,1,0,0,0,0|2,0,1]=4 882 B13R1.556 CCc1ccc(cc1NCC=O)Br 34a_100012354963_200009817547 [0,1,0,0,0,0|2,0,1]=4 883 B13R1.556 CCc1ccc(cc1NCC=O)Br 7a_100012354963_200015260668 [0,1,0,0,0,0|2,0,1]=4 884 B13R1.556 CCc1ccc(cc1NCC=O)Cl 2230a_200012281948_200015260668 [0,1,0,0,0,0|2,0,1]=4 885 B13R1.556 CCc1ccc(cc1NCC=O)Cl 34a_200012281948_200009817547 [0,1,0,0,0,0|2,0,1]=4 886 B13R1.556 CCc1ccc(cc1NCC=O)Cl 7a_200012281948_200015260668 [0,1,0,0,0,0|2,0,1]=4 887 B13R1.556 CNc1ccc(cc1SCC=O)C 62a_100000221369_200015260668 [0,1,0,0,0,0|2,0,1]=4 888 B13R1.556 CNc1ccc(cc1SCC=O)C 62a_200015260668_100000221369 [0,1,0,0,0,0|2,0,1]=4 889 B13R1.556 CNc1ccc(cc1SCC=O)F 62a_100011246292_200015260668 [0,1,0,0,0,0|2,0,1]=4 890 B13R1.556 CNc1ccc(cc1SCC=O)F 62a_200015260668_100011246292 [0,1,0,0,0,0|2,0,1]=4 891 B13R1.556 COc1c[nH]c(=O)cc1SCC=O 62a_100121573661_200015260668 [0,1,0,0,0,0|2,0,1]=4 892 B13R1.556 COc1c[nH]c(=O)cc1SCC=O 62a_200015260668_100121573661 [0,1,0,0,0,0|2,0,1]=4 893 B13R1.556 COc1ccc(cc1NCC=O)Br 34a_100000743470_200009817547 [0,1,0,0,0,0|1,0,1]=3 894 B13R1.556 COc1ccc(cc1NCC=O)C 2230a_100000210980_200015260668 [0,1,0,0,0,0|1,0,1]=3 895 B13R1.556 COc1ccc(cc1NCC=O)C 34a_100000210980_200009817547 [0,1,0,0,0,0|1,0,1]=3 896 B13R1.556 COc1ccc(cc1NCC=O)Cl 34a_100000182114_200009817547 [0,1,0,0,0,0|1,0,1]=3 897 B13R1.556 COc1ccc(cc1NCC=O)F 34a_100000757179_200009817547 [0,1,0,0,0,0|1,0,1]=3 898 B13R1.556 COc1ccc(cc1OCC=O)Br 34a_100009816560_200009817547 [0,1,0,0,0,0|1,0,1]=3 899 B13R1.556 COc1ccc(cc1OCC=O)Br 7a_100009816560_200015260668 [0,1,0,0,0,0|1,0,1]=3 900 B13R1.556 COc1ccc(cc1OCC=O)C 34a_100011216497_200009817547 [0,1,0,0,0,0|1,0,1]=3 901 B13R1.556 COc1ccc(cc1OCC=O)C 7a_100011216497_200015260668 [0,1,0,0,0,0|1,0,1]=3 902 B13R1.556 COc1ccc(cc1OCC=O)Cl 34a_100000101779_200009817547 [0,1,0,0,0,0|1,0,1]=3 903 B13R1.556 COc1ccc(cc1OCC=O)Cl 7a_100000101779_200015260668 [0,1,0,0,0,0|1,0,1]=3 904 B13R1.556 COc1ccc(cc1OCC=O)F 34a_100000034962_200009817547 [0,1,0,0,0,0|1,0,1]=3 905 B13R1.556 COc1ccc(cc1OCC=O)F 7a_100000034962_200015260668 [0,1,0,0,0,0|1,0,1]=3 906 B13R1.556 COc1ccc(cc1OCC=O)N 34a_100000211920_200009817547 [0,1,0,0,0,0|1,0,1]=3 907 B13R1.556 COc1ccc(cc1SCC=O)Br 62a_100012351588_200015260668 [0,1,0,0,0,0|1,0,1]=3 908 B13R1.556 COc1ccc(cc1SCC=O)Br 62a_200015260668_100012351588 [0,1,0,0,0,0|1,0,1]=3 909 B13R1.556 COc1ccc(cc1SCC=O)C 62a_100000186399_200015260668 [0,1,0,0,0,0|1,0,1]=3 910 B13R1.556 COc1ccc(cc1SCC=O)C 62a_200015260668_100000186399 [0,1,0,0,0,0|1,0,1]=3 911 B13R1.556 COc1ccc(cc1SCC=O)Cl 62a_100011215930_200015260668 [0,1,0,0,0,0|1,0,1]=3 912 B13R1.556 COc1ccc(cc1SCC=O)Cl 62a_200015260668_100011215930 [0,1,0,0,0,0|1,0,1]=3 913 B13R1.556 COc1ccc(cc1SCC=O)F 62a_100000171694_200015260668 [0,1,0,0,0,0|1,0,1]=3 914 B13R1.556 COc1ccc(cc1SCC=O)F 62a_200015260668_100000171694 [0,1,0,0,0,0|1,0,1]=3 915 B13R1.556 COc1ccc(cc1SCC=O)N 62a_100011356947_200015260668 [0,1,0,0,0,0|1,0,1]=3 916 B13R1.556 COc1ccc(cc1SCC=O)N 62a_200015260668_100011356947 [0,1,0,0,0,0|1,0,1]=3 917 B13R1.556 COc1ccc(cc1SCC=O)O 62a_100010234764_200015260668 [0,1,0,0,0,0|1,0,1]=3 918 B13R1.556 COc1ccc(cc1SCC=O)O 62a_200015260668_100010234764 [0,1,0,0,0,0|1,0,1]=3 919 B13R1.556 COc1ccc(nc1SCC=O)C 62a_100009820875_200015260668 [0,1,0,0,0,0|2,0,1]=4 920 B13R1.556 COc1ccc(nc1SCC=O)C 62a_200015260668_100009820875 [0,1,0,0,0,0|2,0,1]=4 921 B13R1.556 COc1ccc(nc1SCC=O)N 62a_100010172607_200015260668 [0,1,0,0,0,0|2,0,1]=4 922 B13R1.556 COc1ccc(nc1SCC=O)N 62a_200015260668_100010172607 [0,1,0,0,0,0|2,0,1]=4 923 B13R1.556 COc1cnc(cc1OCC=O)Br 34a_100010264082_200009817547 [0,1,0,0,0,0|2,0,1]=4 924 B13R1.556 COc1cnc(cc1OCC=O)Cl 34a_100009849459_200009817547 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.556 COc1cnc(cc1SCC=O)C 62a_100010109759_200015260668 [0,1,0,0,0,0|2,0,1]=4 926 B13R1.556 COc1cnc(cc1SCC=O)C 62a_200015260668_100010109759 [0,1,0,0,0,0|2,0,1]=4 927 B13R1.556 COc1ncc(cc1OCC=O)Br 34a_100010135713_200009817547 [0,1,0,0,0,0|2,0,1]=4 928 B13R1.556 COc1ncc(cc1SCC=O)Br 62a_100009814608_200015260668 [0,1,0,0,0,0|2,0,1]=4 929 B13R1.556 COc1ncc(cc1SCC=O)Br 62a_200015260668_100009814608 [0,1,0,0,0,0|2,0,1]=4 930 B13R1.556 COc1ncc(cc1SCC=O)C 62a_100012353929_200015260668 [0,1,0,0,0,0|2,0,1]=4 931 B13R1.556 COc1ncc(cc1SCC=O)C 62a_200015260668_100012353929 [0,1,0,0,0,0|2,0,1]=4 932 B13R1.556 COc1ncc(cc1SCC=O)F 62a_100009828472_200015260668 [0,1,0,0,0,0|2,0,1]=4 933 B13R1.556 COc1ncc(cc1SCC=O)F 62a_200015260668_100009828472 [0,1,0,0,0,0|2,0,1]=4 934 B13R1.556 COc1ncc(cc1SCC=O)N 62a_100012351452_200015260668 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.556 COc1ncc(cc1SCC=O)N 62a_200015260668_100012351452 [0,1,0,0,0,0|2,0,1]=4 936 B13R1.556 CSc1ccc(cc1NCC=O)Cl 34a_100000745667_200009817547 [0,1,0,0,0,0|1,1,1]=4 937 B13R1.556 CSc1ccc(cc1SCC=O)C 62a_200010201864_200015260668 [0,1,0,0,0,0|1,1,1]=4 938 B13R1.556 CSc1ccc(cc1SCC=O)C 62a_200015260668_200010201864 [0,1,0,0,0,0|1,1,1]=4 939 B13R1.556 CSc1ccc(cc1SCC=O)F 62a_100009817003_200015260668 [0,1,0,0,0,0|1,1,1]=4 940 B13R1.556 CSc1ccc(cc1SCC=O)F 62a_200015260668_100009817003 [0,1,0,0,0,0|1,1,1]=4 941 B13R1.572 C=C(C)c1ccccc1CCC=O 271570a_100000694244_100011713448 [0,1,0,0,0,0|1,0,2]=4 942 B13R1.572 C=C(C)c1ccccc1NCC=O 34a_100000037685_200009817547 [0,1,0,0,0,0|2,0,1]=4 943 B13R1.572 CC(=O)c1ccccc1SCC=O 62a_100000751169_200015260668 [0,1,0,0,0,0|2,0,1]=4 944 B13R1.572 CC(C)c1ccccc1NCC=O 2230a_100000210643_200015260668 [0,1,0,0,0,0|2,0,1]=4 945 B13R1.572 CC(C)c1ccccc1NCC=O 34a_100000210643_200009817547 [0,1,0,0,0,0|2,0,1]=4 946 B13R1.572 CC(C)c1ccccc1NCC=O 7a_100000210643_200015260668 [0,1,0,0,0,0|2,0,1]=4 947 B13R1.572 CC(C)c1ccccc1OCC=O 34a_100000211617_200009817547 [0,1,0,0,0,0|2,0,1]=4 948 B13R1.572 CC(C)c1ccccc1OCC=O 7a_100000211617_200015260668 [0,1,0,0,0,0|2,0,1]=4 949 B13R1.572 CC(C)c1ccccc1SCC=O 62a_100000708600_200015260668 [0,1,0,0,0,0|2,0,1]=4 950 B13R1.572 CC(C)c1ccccc1SCC=O 62a_200015260668_100000708600 [0,1,0,0,0,0|2,0,1]=4 951 B13R1.572 CC(N)c1ccccc1SCC=O 62a_100000181357_200015260668 [0,1,0,0,0,0|2,0,1]=4 952 B13R1.572 CC(N)c1ccccc1SCC=O 62a_200015260668_100000181357 [0,1,0,0,0,0|2,0,1]=4 953 B13R1.572 CC(O)c1ccccc1NCC=O 2230a_100011405641_200015260668 [0,1,0,0,0,0|2,0,1]=4 954 B13R1.572 CC(O)c1ccccc1OCC=O 34a_200011232679_200009817547 [0,1,0,0,0,0|2,0,1]=4 955 B13R1.572 CC(O)c1ccccc1OCC=O 7a_200011232679_200015260668 [0,1,0,0,0,0|2,0,1]=4 956 B13R1.572 CC(O)c1ccccc1SCC=O 62a_100000702211_200015260668 [0,1,0,0,0,0|2,0,1]=4 957 B13R1.572 CC(O)c1ccccc1SCC=O 62a_200015260668_100000702211 [0,1,0,0,0,0|2,0,1]=4 958 B13R1.572 CN(C)c1ccccc1SCC=O 62a_100011290883_200015260668 [0,1,0,0,0,0|2,0,1]=4 959 B13R1.572 CN(C)c1ccccc1SCC=O 62a_200015260668_100011290883 [0,1,0,0,0,0|2,0,1]=4 960 B13R1.572 CS(=O)c1ccccc1SCC=O 62a_100000734199_200015260668 [0,1,0,0,0,0|1,1,1]=4 961 B13R1.572 C[C@@H](N)c1ccccc1OCC=O 34a_100025703389_200009817547 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.1619 C=CCNc1c(cccc1OC)Br 34a_100000708083_100015514636 [0,1,0,0,0,0|2,0,1]=4 963 B13R1.1619 C=CCNc1c(cccc1OC)C 2230a_100000758225_100000210623 [0,1,0,0,0,0|2,0,1]=4 964 B13R1.1619 C=CCNc1c(cccc1OC)C 34a_100000758225_100015514636 [0,1,0,0,0,0|2,0,1]=4 965 B13R1.1619 C=CCNc1c(cccc1OC)Cl 34a_100011309317_100015514636 [0,1,0,0,0,0|2,0,1]=4 966 B13R1.1619 C=CCNc1c(cccc1OC)F 34a_100000686744_100015514636 [0,1,0,0,0,0|2,0,1]=4 967 B13R1.1619 C=CCNc1c(cccc1OC)O 34a_100012022766_100015514636 [0,1,0,0,0,0|2,0,1]=4 968 B13R1.1619 C=CCOc1c(cccc1OC)Br 34a_100000686866_100015514636 [0,1,0,0,0,0|2,0,1]=4 969 B13R1.1619 C=CCOc1c(cccc1OC)C 34a_100011219253_100015514636 [0,1,0,0,0,0|2,0,1]=4 970 B13R1.1619 C=CCOc1c(cccc1OC)C 7a_100011219253_100015514636 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.1619 C=CCOc1c(cccc1OC)Cl 34a_100009851661_100015514636 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.1619 C=CCOc1c(cccc1OC)Cl 7a_100009851661_100015514636 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.1619 C=CCOc1c(cccc1OC)F 34a_100000036725_100015514636 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.1619 C=CCOc1c(cccc1OC)F 7a_100000036725_100015514636 [0,1,0,0,0,0|2,0,1]=4 975 B13R1.1619 C=CCOc1c(cccc1OC)N 34a_100000123586_100015514636 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.1619 C=CCSc1c(cccc1OC)Br 62a_100000210623_100010131421 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.1619 C=CCSc1c(cccc1OC)Br 62a_100010131421_100000210623 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100000210623_100010191535 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.1619 C=CCSc1c(cccc1OC)C 62a_100010191535_100000210623 [0,1,0,0,0,0|2,0,1]=4 980 B13R1.1619 C=CCSc1c(cccc1OC)F 62a_100000210623_100000703912 [0,1,0,0,0,0|2,0,1]=4 981 B13R1.1619 C=CCSc1c(cccc1OC)F 62a_100000703912_100000210623 [0,1,0,0,0,0|2,0,1]=4 982 B13R1.1619 C=CCSc1c(cccc1OC)N 62a_100000210623_100000703447 [0,1,0,0,0,0|2,0,1]=4 983 B13R1.1619 C=CCSc1c(cccc1OC)N 62a_100000703447_100000210623 [0,1,0,0,0,0|2,0,1]=4 984 B13R1.1619 C=CCSc1c(cccc1OC)O 62a_100000210623_100010202623 [0,1,0,0,0,0|2,0,1]=4 985 B13R1.1619 CCc1cccc(c1NCC=O)C 2230a_100000210048_200015260668 [0,1,0,0,0,0|2,0,1]=4 986 B13R1.1619 CCc1cccc(c1NCC=O)C 34a_100000210048_200009817547 [0,1,0,0,0,0|2,0,1]=4 987 B13R1.1619 CCc1cccc(c1NCC=O)C 7a_100000210048_200015260668 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.1619 CCc1cccc(c1OCC=O)Br 34a_200010001580_200009817547 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.1619 CCc1cccc(c1OCC=O)Br 7a_200010001580_200015260668 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.1619 CCc1cccc(c1OCC=O)C 34a_100000034007_200009817547 [0,1,0,0,0,0|2,0,1]=4 991 B13R1.1619 CCc1cccc(c1OCC=O)C 7a_100000034007_200015260668 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.1619 CCc1cccc(c1SCC=O)C 62a_100000036235_200015260668 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.1619 CCc1cccc(c1SCC=O)C 62a_200015260668_100000036235 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.1619 COc1cccc(c1NCC=O)Br 34a_100000708083_200009817547 [0,1,0,0,0,0|1,0,1]=3 995 B13R1.1619 COc1cccc(c1NCC=O)C 2230a_100000758225_200015260668 [0,1,0,0,0,0|1,0,1]=3 996 B13R1.1619 COc1cccc(c1NCC=O)C 34a_100000758225_200009817547 [0,1,0,0,0,0|1,0,1]=3 997 B13R1.1619 COc1cccc(c1NCC=O)Cl 34a_100011309317_200009817547 [0,1,0,0,0,0|1,0,1]=3 998 B13R1.1619 COc1cccc(c1NCC=O)F 34a_100000686744_200009817547 [0,1,0,0,0,0|1,0,1]=3 999 B13R1.1619 COc1cccc(c1NCC=O)O 34a_100012022766_200009817547 [0,1,0,0,0,0|1,0,1]=3 1000 B13R1.1619 COc1cccc(c1OCC=O)Br 34a_100000686866_200009817547 [0,1,0,0,0,0|1,0,1]=3 1001 B13R1.1619 COc1cccc(c1OCC=O)C 34a_100011219253_200009817547 [0,1,0,0,0,0|1,0,1]=3 1002 B13R1.1619 COc1cccc(c1OCC=O)C 7a_100011219253_200015260668 [0,1,0,0,0,0|1,0,1]=3 1003 B13R1.1619 COc1cccc(c1OCC=O)Cl 34a_100009851661_200009817547 [0,1,0,0,0,0|1,0,1]=3 1004 B13R1.1619 COc1cccc(c1OCC=O)Cl 7a_100009851661_200015260668 [0,1,0,0,0,0|1,0,1]=3 1005 B13R1.1619 COc1cccc(c1OCC=O)F 34a_100000036725_200009817547 [0,1,0,0,0,0|1,0,1]=3 1006 B13R1.1619 COc1cccc(c1OCC=O)F 7a_100000036725_200015260668 [0,1,0,0,0,0|1,0,1]=3 1007 B13R1.1619 COc1cccc(c1OCC=O)N 34a_100000123586_200009817547 [0,1,0,0,0,0|1,0,1]=3 1008 B13R1.1619 COc1cccc(c1SCC=O)Br 62a_100010131421_200015260668 [0,1,0,0,0,0|1,0,1]=3 1009 B13R1.1619 COc1cccc(c1SCC=O)Br 62a_200015260668_100010131421 [0,1,0,0,0,0|1,0,1]=3 1010 B13R1.1619 COc1cccc(c1SCC=O)C 62a_100010191535_200015260668 [0,1,0,0,0,0|1,0,1]=3 1011 B13R1.1619 COc1cccc(c1SCC=O)C 62a_200015260668_100010191535 [0,1,0,0,0,0|1,0,1]=3 1012 B13R1.1619 COc1cccc(c1SCC=O)F 62a_100000703912_200015260668 [0,1,0,0,0,0|1,0,1]=3 1013 B13R1.1619 COc1cccc(c1SCC=O)F 62a_200015260668_100000703912 [0,1,0,0,0,0|1,0,1]=3 1014 B13R1.1619 COc1cccc(c1SCC=O)N 62a_100000703447_200015260668 [0,1,0,0,0,0|1,0,1]=3 1015 B13R1.1619 COc1cccc(c1SCC=O)N 62a_200015260668_100000703447 [0,1,0,0,0,0|1,0,1]=3 1016 B13R1.1619 COc1cccc(c1SCC=O)O 62a_200015260668_100010202623 [0,1,0,0,0,0|1,0,1]=3 1017 B13R1.1619 COc1ccnc(c1SCC=O)Cl 62a_100010154655_200015260668 [0,1,0,0,0,0|2,0,1]=4 1018 B13R1.1619 COc1ccnc(c1SCC=O)Cl 62a_200015260668_100010154655 [0,1,0,0,0,0|2,0,1]=4 1019 B13R1.1619 COc1nccc(c1SCC=O)C 62a_100012353928_200015260668 [0,1,0,0,0,0|2,0,1]=4 1020 B13R1.1619 COc1nccc(c1SCC=O)C 62a_200015260668_100012353928 [0,1,0,0,0,0|2,0,1]=4 1021 B13R1.1619 COc1nccc(c1SCC=O)N 62a_100010243811_200015260668 [0,1,0,0,0,0|2,0,1]=4 1022 B13R1.1619 COc1nccc(c1SCC=O)N 62a_200015260668_100010243811 [0,1,0,0,0,0|2,0,1]=4 1023 B13R1.3516 C=CCNc1cccc(c1OC)Br 34a_100011935253_100015514636 [0,1,0,0,0,0|2,0,1]=4 1024 B13R1.3516 C=CCNc1cccc(c1OC)C 34a_100012017360_100015514636 [0,1,0,0,0,0|2,0,1]=4 1025 B13R1.3516 C=CCNc1cccc(c1OC)Cl 2230a_100000743799_100000210623 [0,1,0,0,0,0|2,0,1]=4 1026 B13R1.3516 C=CCNc1cccc(c1OC)Cl 34a_100000743799_100015514636 [0,1,0,0,0,0|2,0,1]=4 1027 B13R1.3516 C=CCNc1cccc(c1OC)F 34a_100011215007_100015514636 [0,1,0,0,0,0|2,0,1]=4 1028 B13R1.3516 C=CCOc1cccc(c1OC)Br 34a_100010234590_100015514636 [0,1,0,0,0,0|2,0,1]=4 1029 B13R1.3516 C=CCOc1cccc(c1OC)Cl 34a_200009886253_100015514636 [0,1,0,0,0,0|2,0,1]=4 1030 B13R1.3516 C=CCOc1cccc(c1OC)Cl 7a_200009886253_100015514636 [0,1,0,0,0,0|2,0,1]=4 1031 B13R1.3516 C=CCSc1cccc(c1OC)Br 62a_100000210623_100010146560 [0,1,0,0,0,0|2,0,1]=4 1032 B13R1.3516 C=CCSc1cccc(c1OC)Br 62a_100010146560_100000210623 [0,1,0,0,0,0|2,0,1]=4 1033 B13R1.3516 C=CCSc1cccc(c1OC)C 62a_100000210623_100010141385 [0,1,0,0,0,0|2,0,1]=4 1034 B13R1.3516 C=CCSc1cccc(c1OC)C 62a_100010141385_100000210623 [0,1,0,0,0,0|2,0,1]=4 1035 B13R1.3516 C=CCSc1cccc(c1OC)Cl 62a_100000210623_100010147678 [0,1,0,0,0,0|2,0,1]=4 1036 B13R1.3516 C=CCSc1cccc(c1OC)Cl 62a_100010147678_100000210623 [0,1,0,0,0,0|2,0,1]=4 1037 B13R1.3516 C=CCSc1cccc(c1OC)F 62a_100000210623_100009816759 [0,1,0,0,0,0|2,0,1]=4 1038 B13R1.3516 C=CCSc1cccc(c1OC)F 62a_100009816759_100000210623 [0,1,0,0,0,0|2,0,1]=4 1039 B13R1.3516 C=CCSc1cccc(c1OC)N 62a_100011935253_100000210623 [0,1,0,0,0,0|2,0,1]=4 1040 B13R1.3516 C=CCSc1cccc(c1OC)O 62a_100000210623_100010234590 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.3516 CNc1c(cccc1SCC=O)N 62a_100010510394_200015260668 [0,1,0,0,0,0|2,0,1]=4 1042 B13R1.3516 COc1c(cccc1NCC=O)Br 34a_100011935253_200009817547 [0,1,0,0,0,0|1,0,1]=3 1043 B13R1.3516 COc1c(cccc1NCC=O)C 34a_100012017360_200009817547 [0,1,0,0,0,0|1,0,1]=3 1044 B13R1.3516 COc1c(cccc1NCC=O)Cl 2230a_100000743799_200015260668 [0,1,0,0,0,0|1,0,1]=3 1045 B13R1.3516 COc1c(cccc1NCC=O)Cl 34a_100000743799_200009817547 [0,1,0,0,0,0|1,0,1]=3 1046 B13R1.3516 COc1c(cccc1NCC=O)F 34a_100011215007_200009817547 [0,1,0,0,0,0|1,0,1]=3 1047 B13R1.3516 COc1c(cccc1OCC=O)Br 34a_100010234590_200009817547 [0,1,0,0,0,0|1,0,1]=3 1048 B13R1.3516 COc1c(cccc1OCC=O)Cl 34a_200009886253_200009817547 [0,1,0,0,0,0|1,0,1]=3 1049 B13R1.3516 COc1c(cccc1OCC=O)Cl 7a_200009886253_200015260668 [0,1,0,0,0,0|1,0,1]=3 1050 B13R1.3516 COc1c(cccc1SCC=O)Br 62a_100010146560_200015260668 [0,1,0,0,0,0|1,0,1]=3 1051 B13R1.3516 COc1c(cccc1SCC=O)Br 62a_200015260668_100010146560 [0,1,0,0,0,0|1,0,1]=3 1052 B13R1.3516 COc1c(cccc1SCC=O)C 62a_100010141385_200015260668 [0,1,0,0,0,0|1,0,1]=3 1053 B13R1.3516 COc1c(cccc1SCC=O)C 62a_200015260668_100010141385 [0,1,0,0,0,0|1,0,1]=3 1054 B13R1.3516 COc1c(cccc1SCC=O)Cl 62a_100010147678_200015260668 [0,1,0,0,0,0|1,0,1]=3 1055 B13R1.3516 COc1c(cccc1SCC=O)Cl 62a_200015260668_100010147678 [0,1,0,0,0,0|1,0,1]=3 1056 B13R1.3516 COc1c(cccc1SCC=O)F 62a_100009816759_200015260668 [0,1,0,0,0,0|1,0,1]=3 1057 B13R1.3516 COc1c(cccc1SCC=O)F 62a_200015260668_100009816759 [0,1,0,0,0,0|1,0,1]=3 1058 B13R1.3516 COc1c(cccc1SCC=O)N 62a_100011935253_200015260668 [0,1,0,0,0,0|1,0,1]=3 1059 B13R1.3516 COc1c(cccc1SCC=O)O 62a_200015260668_100010234590 [0,1,0,0,0,0|1,0,1]=3 1060 B13R1.3516 COc1c(ccnc1C)SCC=O 62a_100000685116_200015260668 [0,1,0,0,0,0|2,0,1]=4 1061 B13R1.3516 COc1c(ccnc1C)SCC=O 62a_200015260668_100000685116 [0,1,0,0,0,0|2,0,1]=4 1062 B13R1.3516 COc1c(ccnc1Cl)OCC=O 34a_100000104430_200009817547 [0,1,0,0,0,0|2,0,1]=4 1063 B13R1.3516 COc1c(ccnc1Cl)SCC=O 62a_100010068014_200015260668 [0,1,0,0,0,0|2,0,1]=4 1064 B13R1.3516 COc1c(ccnc1Cl)SCC=O 62a_200015260668_100010068014 [0,1,0,0,0,0|2,0,1]=4 1065 B13R1.3516 COc1c(ccnc1N)SCC=O 62a_100009880012_200015260668 [0,1,0,0,0,0|2,0,1]=4 1066 B13R1.3516 COc1c(ccnc1N)SCC=O 62a_200015260668_100009880012 [0,1,0,0,0,0|2,0,1]=4 1067 B13R1.3516 COc1c(ccnc1SCC=O)N 62a_100000104429_200015260668 [0,1,0,0,0,0|2,0,1]=4 1068 B13R1.3516 COc1c(ccnc1SCC=O)N 62a_200015260668_100000104429 [0,1,0,0,0,0|2,0,1]=4 1069 B13R1.3516 COc1c(ccnc1SCC=O)O 62a_200015260668_100000104430 [0,1,0,0,0,0|2,0,1]=4 1070 B13R1.3516 COc1c(cncc1SCC=O)N 62a_100012359933_200015260668 [0,1,0,0,0,0|2,0,1]=4 1071 B13R1.3516 COc1c(cncc1SCC=O)N 62a_200015260668_100012359933 [0,1,0,0,0,0|2,0,1]=4 1072 B13R1.3516 CSc1c(cccc1OCC=O)C 34a_200000099257_200009817547 [0,1,0,0,0,0|1,1,1]=4 1073 B13R1.3516 CSc1c(cccc1OCC=O)C 7a_200000099257_200015260668 [0,1,0,0,0,0|1,1,1]=4 1074 B13R1.3516 CSc1c(cccc1SCC=O)F 62a_200010709249_200015260668 [0,1,0,0,0,0|1,1,1]=4 1075 B13R1.3516 CSc1c(cccc1SCC=O)F 62a_200015260668_200010709249 [0,1,0,0,0,0|1,1,1]=4 1076 B13R2.1 C=C=Cc1coc2c1cccc2 271570a_100015277604_100009812202 [0,0,0,1,0,0|1,0,2]=4 1077 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [0,0,0,1,0,0|1,0,1]=3 1078 B13R2.1 CC=Cc1coc2c1nccc2 271570a_100016259895_100009889148 [0,0,0,1,0,0|2,0,1]=4 1079 B13R2.1 CC=Cc1csc2c1cccc2 271570a_100016259895_100009813928 [0,0,0,1,0,0|1,1,1]=4 1080 B13R2.1 CC=Cc1n[nH]c2c1cccc2 271570a_100016259895_100000050141 [0,0,0,1,0,0|3,0,0]=4 1081 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,0,0,1,0,0|1,0,1]=3 1082 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [0,0,0,1,0,0|2,0,1]=4 1083 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [0,0,0,1,0,0|2,0,1]=4 1084 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,1,0,0|3,0,0]=4 1085 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,0,0,1,0,0|2,0,1]=4 1086 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,1,0,0|3,0,0]=4 1087 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,1,0,0|3,0,0]=4 1088 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,0,0,1,0,0|2,0,1]=4 1089 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,0,0,1,0,0|2,0,1]=4 1090 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,1,0,0|2,0,1]=4 1091 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,1,0,0|2,0,1]=4 1092 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [0,0,0,1,0,0|3,0,0]=4 1093 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [0,0,0,1,0,0|3,0,0]=4 1094 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,0,0,1,0,0|3,0,0]=4 1095 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,0,0,1,0,0|3,0,0]=4 1096 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,0,0,1,0,0|3,0,0]=4 1097 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [0,0,0,1,0,0|3,0,0]=4 1098 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,0,0,1,0,0|2,0,1]=4 1099 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [0,0,0,1,0,0|2,0,1]=4 1100 B13R2.573 CNc1cccc2c1CNC2=O 2230a_100000087543_200000210301 [0,0,0,1,0,0|2,0,1]=4 1101 B13R2.573 CNc1cccc2c1ccn2C 34a_100000750317_200000210301 [0,0,0,1,0,0|3,0,0]=4 1102 B13R2.573 COc1cccc2c1CCC2=O 34a_100000240044_200000210301 [0,0,0,1,0,0|0,0,2]=3 1103 B13R2.573 COc1cccc2c1CCC2=O 7a_100000240044_200000210301 [0,0,0,1,0,0|0,0,2]=3 1104 B13R2.573 COc1cccc2c1CNC2=O 34a_100000098541_200000210301 [0,0,0,1,0,0|1,0,1]=3 1105 B13R2.573 COc1cccc2c1[nH]nc2O 271570a_203496583355_100010231496 [0,0,0,1,0,0|2,0,1]=4 1106 B13R2.573 COc1cccc2c1ccn2C 34a_100000094269_200000210301 [0,0,0,1,0,0|2,0,0]=3 1107 B13R2.573 COc1cccc2c1cnn2C 34a_100009856027_200000210301 [0,0,0,1,0,0|3,0,0]=4 1108 B13R2.573 COc1cccn2c1ncc2Br 34a_200020799507_200000210301 [0,0,0,1,0,0|3,0,0]=4 1109 B13R2.573 COc1cccn2c1ncc2Br 7a_200020799507_200000210301 [0,0,0,1,0,0|3,0,0]=4 1110 B13R2.573 COc1nccc2c1[nH]cc2O 271570a_203496583355_100010168644 [0,0,0,1,0,0|2,0,1]=4 1111 B13R2.573 CSc1cccc2c1CCC2=O 62a_100000049675_200000210301 [0,0,0,1,0,0|0,1,2]=4 1112 B13R2.573 CSc1cccc2c1CCC2=O 62a_200000210301_100000049675 [0,0,0,1,0,0|0,1,2]=4 1113 B13R2.573 CSc1cccc2c1CNC2=O 62a_100000688282_200000210301 [0,0,0,1,0,0|1,1,1]=4 1114 B13R2.573 CSc1cccc2c1COC2=O 62a_100010167076_200000210301 [0,0,0,1,0,0|1,1,1]=4 1115 B13R2.573 CSc1cccc2c1OCC2=O 62a_200000210301_100011230590 [0,0,0,1,0,0|1,1,1]=4 1116 B13R2.573 CSc1cccc2c1[nH]cc2C 62a_200000210301_100010186758 [0,0,0,1,0,0|2,1,0]=4 1117 B13R2.573 CSc1cccc2c1ccn2C 62a_200000210301_200011934935 [0,0,0,1,0,0|2,1,0]=4 1118 B13R2.573 Cc1c[nH]c2c1cccc2S[13CH3] 62a_200025704644_100010186758 [0,0,0,1,0,0|2,1,0]=4 1119 B13R2.573 Cn1ccc2c1cccc2N[13CH3] 34a_100000750317_200025704644 [0,0,0,1,0,0|3,0,0]=4 1120 B13R2.573 Cn1ccc2c1cccc2O[13CH3] 34a_100000094269_200025704644 [0,0,0,1,0,0|2,0,0]=3 1121 B13R2.573 Cn1ccc2c1cccc2S[13CH3] 62a_200025704644_200011934935 [0,0,0,1,0,0|2,1,0]=4 1122 B13R2.573 Cn1ncc2c1cccc2O[13CH3] 34a_100009856027_200025704644 [0,0,0,1,0,0|3,0,0]=4 1123 B13R2.573 [13CH3]Nc1cccc2c1CNC2=O 2230a_100000087543_200025704644 [0,0,0,1,0,0|2,0,1]=4 1124 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 34a_100000240044_200025704644 [0,0,0,1,0,0|0,0,2]=3 1125 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 7a_100000240044_200025704644 [0,0,0,1,0,0|0,0,2]=3 1126 B13R2.573 [13CH3]Oc1cccc2c1CNC2=O 34a_100000098541_200025704644 [0,0,0,1,0,0|1,0,1]=3 1127 B13R2.573 [13CH3]Oc1cccn2c1ncc2Br 34a_200020799507_200025704644 [0,0,0,1,0,0|3,0,0]=4 1128 B13R2.573 [13CH3]Oc1cccn2c1ncc2Br 7a_200020799507_200025704644 [0,0,0,1,0,0|3,0,0]=4 1129 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_100000049675_200025704644 [0,0,0,1,0,0|0,1,2]=4 1130 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_200025704644_100000049675 [0,0,0,1,0,0|0,1,2]=4 1131 B13R2.573 [13CH3]Sc1cccc2c1CNC2=O 62a_100000688282_200025704644 [0,0,0,1,0,0|1,1,1]=4 1132 B13R2.573 [13CH3]Sc1cccc2c1COC2=O 62a_100010167076_200025704644 [0,0,0,1,0,0|1,1,1]=4 1133 B13R2.573 [13CH3]Sc1cccc2c1OCC2=O 62a_200025704644_100011230590 [0,0,0,1,0,0|1,1,1]=4 1134 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [0,0,0,1,0,0|2,0,1]=4 1135 B13R2.1613 C=Cc1cccc2c1cccn2 271570a_100011290941_100011290932 [0,0,0,1,0,0|2,0,1]=4 1136 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [0,0,0,1,0,0|2,0,0]=3 1137 B13R2.1613 CNc1cccc2c1cccn2 27a_100102657272_100011290932 [0,0,0,1,0,0|2,0,0]=3 1138 B13R2.1613 CNc1cccc2c1cccn2 34a_100000183906_200000210301 [0,0,0,1,0,0|2,0,0]=3 1139 B13R2.1613 CNc1cccc2c1cncn2 27a_100102657272_100009814520 [0,0,0,1,0,0|3,0,0]=4 1140 B13R2.1613 CNc1cccc2c1nccc2 34a_100000181377_200000210301 [0,0,0,1,0,0|3,0,0]=4 1141 B13R2.1613 CNc1cccc2c1nccn2 27a_100102657272_100010003881 [0,0,0,1,0,0|3,0,0]=4 1142 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [0,0,0,1,0,0|3,0,0]=4 1143 B13R2.1613 CNc1ccnc2c1cccn2 27a_100102657272_100000087570 [0,0,0,1,0,0|3,0,0]=4 1144 B13R2.1613 CNc1cncc2c1cccn2 27a_100102657272_100010211308 [0,0,0,1,0,0|3,0,0]=4 1145 B13R2.1613 CNc1nccc2c1cccc2 27a_100102657272_100011934041 [0,0,0,1,0,0|3,0,0]=4 1146 B13R2.1613 CNc1nccc2c1cccn2 27a_100102657272_100000077681 [0,0,0,1,0,0|3,0,0]=4 1147 B13R2.1613 COc1cccc2c1CC=CC2 34a_100000074931_200000210301 [0,0,0,1,0,0|1,0,1]=3 1148 B13R2.1613 COc1cccc2c1CC=CC2 7a_100000074931_200000210301 [0,0,0,1,0,0|1,0,1]=3 1149 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [0,0,0,1,0,0|1,0,0]=2 1150 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [0,0,0,1,0,0|1,0,0]=2 1151 B13R2.1613 COc1cccc2c1cccn2 34a_100011197808_200000210301 [0,0,0,1,0,0|1,0,0]=2 1152 B13R2.1613 COc1cccc2c1ccnc2 34a_100011218533_200000210301 [0,0,0,1,0,0|2,0,0]=3 1153 B13R2.1613 COc1cccc2c1cncc2 34a_103624766955_200000210301 [0,0,0,1,0,0|2,0,0]=3 1154 B13R2.1613 COc1cccc2c1nccc2 34a_100000056035_200000210301 [0,0,0,1,0,0|2,0,0]=3 1155 B13R2.1613 COc1cccc2c1nccn2 34a_100000077048_200000210301 [0,0,0,1,0,0|2,0,0]=3 1156 B13R2.1613 COc1cccc2c1ncnc2 34a_200000077003_200000210301 [0,0,0,1,0,0|3,0,0]=4 1157 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [0,0,0,1,0,0|2,0,0]=3 1158 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [0,0,0,1,0,0|2,0,0]=3 1159 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [0,0,0,1,0,0|2,0,0]=3 1160 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [0,0,0,1,0,0|1,1,0]=3 1161 B13R2.1613 CSc1cccc2c1cccn2 62a_100011290932_200000210301 [0,0,0,1,0,0|1,1,0]=3 1162 B13R2.1613 CSc1cccc2c1cccn2 62a_200000210301_100011290932 [0,0,0,1,0,0|1,1,0]=3 1163 B13R2.1613 CSc1cccc2c1ccnc2 62a_100000186358_200000210301 [0,0,0,1,0,0|2,1,0]=4 1164 B13R2.1613 CSc1cccc2c1ccnc2 62a_200000210301_100000186358 [0,0,0,1,0,0|2,1,0]=4 1165 B13R2.1613 CSc1cccc2c1cncc2 62a_100000685578_200000210301 [0,0,0,1,0,0|2,1,0]=4 1166 B13R2.1613 CSc1cccc2c1cncc2 62a_200000210301_100000685578 [0,0,0,1,0,0|2,1,0]=4 1167 B13R2.1613 CSc1cccc2c1cncn2 62a_100009814520_200000210301 [0,0,0,1,0,0|2,1,0]=4 1168 B13R2.1613 CSc1cccc2c1cncn2 62a_200000210301_100009814520 [0,0,0,1,0,0|2,1,0]=4 1169 B13R2.1613 CSc1cccc2c1nccc2 62a_200000210301_100011215545 [0,0,0,1,0,0|2,1,0]=4 1170 B13R2.1613 CSc1cccc2c1nccn2 62a_100010003881_200000210301 [0,0,0,1,0,0|2,1,0]=4 1171 B13R2.1613 CSc1cccc2c1nccn2 62a_200000210301_100010003881 [0,0,0,1,0,0|2,1,0]=4 1172 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [0,0,0,1,0,0|2,1,0]=4 1173 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [0,0,0,1,0,0|2,1,0]=4 1174 B13R2.1613 CSc1ccnc2c1cccn2 62a_100000087570_200000210301 [0,0,0,1,0,0|2,1,0]=4 1175 B13R2.1613 CSc1ccnc2c1cccn2 62a_200000210301_100000087570 [0,0,0,1,0,0|2,1,0]=4 1176 B13R2.1613 CSc1cncc2c1cccc2 62a_100000187577_200000210301 [0,0,0,1,0,0|2,1,0]=4 1177 B13R2.1613 CSc1cncc2c1cccc2 62a_200000210301_100000187577 [0,0,0,1,0,0|2,1,0]=4 1178 B13R2.1613 CSc1cncc2c1cccn2 62a_100010211308_200000210301 [0,0,0,1,0,0|2,1,0]=4 1179 B13R2.1613 CSc1cncc2c1cccn2 62a_200000210301_100010211308 [0,0,0,1,0,0|2,1,0]=4 1180 B13R2.1613 CSc1nccc2c1cccc2 62a_100011934041_200000210301 [0,0,0,1,0,0|2,1,0]=4 1181 B13R2.1613 CSc1nccc2c1cccc2 62a_200000210301_100011934041 [0,0,0,1,0,0|2,1,0]=4 1182 B13R2.1613 CSc1nccc2c1cccn2 62a_200000210301_100000077681 [0,0,0,1,0,0|2,1,0]=4 1183 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [0,0,0,1,0,0|2,0,0]=3 1184 B13R2.1613 [13CH3]Nc1cccc2c1cccn2 34a_100000183906_200025704644 [0,0,0,1,0,0|2,0,0]=3 1185 B13R2.1613 [13CH3]Nc1cccc2c1nccc2 34a_100000181377_200025704644 [0,0,0,1,0,0|3,0,0]=4 1186 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 34a_100000074931_200025704644 [0,0,0,1,0,0|1,0,1]=3 1187 B13R2.1613 [13CH3]Oc1cccc2c1CC=CC2 7a_100000074931_200025704644 [0,0,0,1,0,0|1,0,1]=3 1188 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [0,0,0,1,0,0|1,0,0]=2 1189 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [0,0,0,1,0,0|1,0,0]=2 1190 B13R2.1613 [13CH3]Oc1cccc2c1cccn2 34a_100011197808_200025704644 [0,0,0,1,0,0|1,0,0]=2 1191 B13R2.1613 [13CH3]Oc1cccc2c1ccnc2 34a_100011218533_200025704644 [0,0,0,1,0,0|2,0,0]=3 1192 B13R2.1613 [13CH3]Oc1cccc2c1cncc2 34a_103624766955_200025704644 [0,0,0,1,0,0|2,0,0]=3 1193 B13R2.1613 [13CH3]Oc1cccc2c1nccc2 34a_100000056035_200025704644 [0,0,0,1,0,0|2,0,0]=3 1194 B13R2.1613 [13CH3]Oc1cccc2c1nccn2 34a_100000077048_200025704644 [0,0,0,1,0,0|2,0,0]=3 1195 B13R2.1613 [13CH3]Oc1cccc2c1ncnc2 34a_200000077003_200025704644 [0,0,0,1,0,0|3,0,0]=4 1196 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [0,0,0,1,0,0|2,0,0]=3 1197 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [0,0,0,1,0,0|2,0,0]=3 1198 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [0,0,0,1,0,0|2,0,0]=3 1199 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [0,0,0,1,0,0|1,1,0]=3 1200 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_100011290932_200025704644 [0,0,0,1,0,0|1,1,0]=3 1201 B13R2.1613 [13CH3]Sc1cccc2c1cccn2 62a_200025704644_100011290932 [0,0,0,1,0,0|1,1,0]=3 1202 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_100000186358_200025704644 [0,0,0,1,0,0|2,1,0]=4 1203 B13R2.1613 [13CH3]Sc1cccc2c1ccnc2 62a_200025704644_100000186358 [0,0,0,1,0,0|2,1,0]=4 1204 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_100000685578_200025704644 [0,0,0,1,0,0|2,1,0]=4 1205 B13R2.1613 [13CH3]Sc1cccc2c1cncc2 62a_200025704644_100000685578 [0,0,0,1,0,0|2,1,0]=4 1206 B13R2.1613 [13CH3]Sc1cccc2c1cncn2 62a_100009814520_200025704644 [0,0,0,1,0,0|2,1,0]=4 1207 B13R2.1613 [13CH3]Sc1cccc2c1cncn2 62a_200025704644_100009814520 [0,0,0,1,0,0|2,1,0]=4 1208 B13R2.1613 [13CH3]Sc1cccc2c1nccc2 62a_200025704644_100011215545 [0,0,0,1,0,0|2,1,0]=4 1209 B13R2.1613 [13CH3]Sc1cccc2c1nccn2 62a_100010003881_200025704644 [0,0,0,1,0,0|2,1,0]=4 1210 B13R2.1613 [13CH3]Sc1cccc2c1nccn2 62a_200025704644_100010003881 [0,0,0,1,0,0|2,1,0]=4 1211 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [0,0,0,1,0,0|2,1,0]=4 1212 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [0,0,0,1,0,0|2,1,0]=4 1213 B13R2.1613 [13CH3]Sc1ccnc2c1cccn2 62a_100000087570_200025704644 [0,0,0,1,0,0|2,1,0]=4 1214 B13R2.1613 [13CH3]Sc1ccnc2c1cccn2 62a_200025704644_100000087570 [0,0,0,1,0,0|2,1,0]=4 1215 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_100000187577_200025704644 [0,0,0,1,0,0|2,1,0]=4 1216 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_200025704644_100000187577 [0,0,0,1,0,0|2,1,0]=4 1217 B13R2.1613 [13CH3]Sc1cncc2c1cccn2 62a_100010211308_200025704644 [0,0,0,1,0,0|2,1,0]=4 1218 B13R2.1613 [13CH3]Sc1cncc2c1cccn2 62a_200025704644_100010211308 [0,0,0,1,0,0|2,1,0]=4 1219 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_100011934041_200025704644 [0,0,0,1,0,0|2,1,0]=4 1220 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_200025704644_100011934041 [0,0,0,1,0,0|2,1,0]=4 1221 B13R2.1613 [13CH3]Sc1nccc2c1cccn2 62a_200025704644_100000077681 [0,0,0,1,0,0|2,1,0]=4 1222 B10R1.4 C=C=Cc1cccc[n+]1C 271570a_100015277604_100000212160 [2,0,0,0,0,0|1,0,1]=4 1223 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [2,0,0,0,0,0|1,0,1]=4 1224 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [2,0,0,0,0,0|0,0,1]=3 1225 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [2,0,0,0,0,0|1,0,1]=4 1226 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [2,0,0,0,0,0|1,0,1]=4 1227 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [2,0,0,0,0,0|1,0,1]=4 1228 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [2,0,0,0,0,0|0,0,1]=3 1229 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [2,0,0,0,0,0|1,0,1]=4 1230 B10R1.4 C=C=Cc1ccncc1C 271570a_100015277604_100015191297 [2,0,0,0,0,0|1,0,1]=4 1231 B10R1.4 C=C=Cc1ccncc1O 271570a_100015277604_100009817591 [2,0,0,0,0,0|1,0,1]=4 1232 B10R1.4 C=C=Cc1cnccc1C 271570a_100015277604_100000761580 [2,0,0,0,0,0|1,0,1]=4 1233 B10R1.4 C=C=Cc1ncccc1C 271570a_100015277604_100000751373 [2,0,0,0,0,0|1,0,1]=4 1234 B10R1.4 C=C=Cc1ncccc1O 271570a_100015277604_100000034122 [2,0,0,0,0,0|1,0,1]=4 1235 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [2,0,0,0,0,0|0,0,1]=3 1236 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [2,0,0,0,0,0|1,0,1]=4 1237 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [2,0,0,0,0,0|1,0,1]=4 1238 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [2,0,0,0,0,0|0,0,1]=3 1239 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [2,0,0,0,0,0|1,0,1]=4 1240 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [2,0,0,0,0,0|1,0,1]=4 1241 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [2,0,0,0,0,0|1,0,1]=4 1242 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [2,0,0,0,0,0|0,0,1]=3 1243 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [2,0,0,0,0,0|1,0,1]=4 1244 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [2,0,0,0,0,0|1,0,1]=4 1245 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [2,0,0,0,0,0|1,0,1]=4 1246 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [2,0,0,0,0,0|1,0,1]=4 1247 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [2,0,0,0,0,0|1,0,1]=4 1248 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [2,0,0,0,0,0|1,0,1]=4 1249 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,1]=4 1250 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,1]=4 1251 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,1]=4 1252 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,1]=4 1253 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,1]=4 1254 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [2,0,0,0,0,0|0,0,2]=4 1255 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [2,0,0,0,0,0|0,0,2]=4 1256 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [2,0,0,0,0,0|0,0,2]=4 1257 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [2,0,0,0,0,0|0,0,2]=4 1258 B10R1.20 C=Cc1ccccc1C#N 271570a_100011290941_100000188569 [2,0,0,0,0,0|2,0,0]=4 1259 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [2,0,0,0,0,0|1,0,1]=4 1260 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [2,0,0,0,0,0|1,0,0]=3 1261 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [2,0,0,0,0,0|2,0,0]=4 1262 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [2,0,0,0,0,0|2,0,0]=4 1263 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [2,0,0,0,0,0|1,0,0]=3 1264 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [2,0,0,0,0,0|1,0,0]=3 1265 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [2,0,0,0,0,0|2,0,0]=4 1266 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [2,0,0,0,0,0|1,0,0]=3 1267 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [2,0,0,0,0,0|0,0,0]=2 1268 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [2,0,0,0,0,0|0,1,0]=3 1269 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [2,0,0,0,0,0|0,1,0]=3 1270 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [2,0,0,0,0,0|0,1,0]=3 1271 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [2,0,0,0,0,0|0,1,0]=3 1272 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [2,0,0,0,0,0|0,1,0]=3 1273 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [2,0,0,0,0,0|2,0,0]=4 1274 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [2,0,0,0,0,0|2,0,0]=4 1275 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [2,0,0,0,0,0|1,0,0]=3 1276 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [2,0,0,0,0,0|1,1,0]=4 1277 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [2,0,0,0,0,0|2,0,0]=4 1278 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [2,0,0,0,0,0|1,0,0]=3 1279 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [2,0,0,0,0,0|2,0,0]=4 1280 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [2,0,0,0,0,0|2,0,0]=4 1281 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [2,0,0,0,0,0|1,0,0]=3 1282 B10R1.20 C=Cc1cncnc1OC 271570a_100011290941_100000719902 [2,0,0,0,0,0|2,0,0]=4 1283 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [2,0,0,0,0,0|2,0,0]=4 1284 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [2,0,0,0,0,0|1,0,0]=3 1285 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [2,0,0,0,0,0|2,0,0]=4 1286 B10R1.20 C=Cc1ncncc1OC 271570a_100011290941_100012001275 [2,0,0,0,0,0|2,0,0]=4 1287 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [2,0,0,0,0,0|0,0,2]=4 1288 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [2,0,0,0,0,0|0,0,2]=4 1289 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [2,0,0,0,0,0|0,0,2]=4 1290 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [2,0,0,0,0,0|0,0,2]=4 1291 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [2,0,0,0,0,0|1,0,1]=4 1292 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [2,0,0,0,0,0|1,0,1]=4 1293 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [2,0,0,0,0,0|1,0,1]=4 1294 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [2,0,0,0,0,0|1,0,1]=4 1295 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [2,0,0,0,0,0|1,0,1]=4 1296 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [2,0,0,0,0,0|1,0,1]=4 1297 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [2,0,0,0,0,0|0,0,2]=4 1298 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [2,0,0,0,0,0|1,0,1]=4 1299 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [2,0,0,0,0,0|1,0,1]=4 1300 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [2,0,0,0,0,0|1,0,1]=4 1301 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [2,0,0,0,0,0|1,0,1]=4 1302 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [2,0,0,0,0,0|1,0,1]=4 1303 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [2,0,0,0,0,0|1,0,1]=4 1304 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [2,0,0,0,0,0|1,0,1]=4 1305 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [2,0,0,0,0,0|1,0,1]=4 1306 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [2,0,0,0,0,0|0,1,0]=3 1307 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [2,0,0,0,0,0|0,1,0]=3 1308 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [2,0,0,0,0,0|1,0,1]=4 1309 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [2,0,0,0,0,0|1,1,0]=4 1310 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [2,0,0,0,0,0|1,1,0]=4 1311 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [2,0,0,0,0,0|1,1,0]=4 1312 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [2,0,0,0,0,0|1,1,0]=4 1313 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [2,0,0,0,0,0|1,1,0]=4 1314 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [2,0,0,0,0,0|1,1,0]=4 1315 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [2,0,0,0,0,0|1,1,0]=4 1316 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [2,0,0,0,0,0|1,1,0]=4 1317 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [2,0,0,0,0,0|1,0,1]=4 1318 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [2,0,0,0,0,0|1,0,1]=4 1319 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [2,0,0,0,0,0|1,0,1]=4 1320 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [2,0,0,0,0,0|0,0,2]=4 1321 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [2,0,0,0,0,0|0,1,0]=3 1322 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [2,0,0,0,0,0|0,1,0]=3 1323 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [2,0,0,0,0,0|1,1,0]=4 1324 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [2,0,0,0,0,0|1,1,0]=4 1325 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [2,0,0,0,0,0|1,1,0]=4 1326 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [2,0,0,0,0,0|1,1,0]=4 1327 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [2,0,0,0,0,0|1,1,0]=4 1328 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [2,0,0,0,0,0|1,1,0]=4 1329 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [2,0,0,0,0,0|1,1,0]=4 1330 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [2,0,0,0,0,0|1,1,0]=4 1331 B12R1.25 Cc1c(cccc1NCC=O)Br 34a_100000750434_200009817547 [1,1,0,0,0,0|1,0,1]=4 1332 B12R1.25 Cc1c(cccc1NCC=O)Cl 2230a_100000210441_200015260668 [1,1,0,0,0,0|1,0,1]=4 1333 B12R1.25 Cc1c(cccc1NCC=O)Cl 34a_100000210441_200009817547 [1,1,0,0,0,0|1,0,1]=4 1334 B12R1.25 Cc1c(cccc1NCC=O)Cl 7a_100000210441_200015260668 [1,1,0,0,0,0|1,0,1]=4 1335 B12R1.25 Cc1c(cccc1NCC=O)F 34a_100000745574_200009817547 [1,1,0,0,0,0|1,0,1]=4 1336 B12R1.25 Cc1c(cccc1NCC=O)F 7a_100000745574_200015260668 [1,1,0,0,0,0|1,0,1]=4 1337 B12R1.25 Cc1c(cccc1NCC=O)I 34a_100000761887_200009817547 [1,1,0,0,0,0|1,0,1]=4 1338 B12R1.25 Cc1c(cccc1NCC=O)O 34a_100011216573_200009817547 [1,1,0,0,0,0|1,0,1]=4 1339 B12R1.25 Cc1c(cccc1NCC=O)O 7a_100011216573_200015260668 [1,1,0,0,0,0|1,0,1]=4 1340 B12R1.25 Cc1c(cccc1OCC=O)Br 34a_100012002258_200009817547 [1,1,0,0,0,0|1,0,1]=4 1341 B12R1.25 Cc1c(cccc1OCC=O)Br 7a_100012002258_200015260668 [1,1,0,0,0,0|1,0,1]=4 1342 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [1,1,0,0,0,0|1,0,1]=4 1343 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [1,1,0,0,0,0|1,0,1]=4 1344 B12R1.25 Cc1c(cccc1OCC=O)F 34a_100011217231_200009817547 [1,1,0,0,0,0|1,0,1]=4 1345 B12R1.25 Cc1c(cccc1OCC=O)F 7a_100011217231_200015260668 [1,1,0,0,0,0|1,0,1]=4 1346 B12R1.25 Cc1c(cccc1OCC=O)N 34a_100011216573_200009817547 [1,1,0,0,0,0|1,0,1]=4 1347 B12R1.25 Cc1c(cccc1OCC=O)N 7a_100011216573_200015260668 [1,1,0,0,0,0|1,0,1]=4 1348 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_100012353703_200015260668 [1,1,0,0,0,0|1,0,1]=4 1349 B12R1.25 Cc1c(cccc1SCC=O)Br 62a_200015260668_100012353703 [1,1,0,0,0,0|1,0,1]=4 1350 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_100000726075_200015260668 [1,1,0,0,0,0|1,0,1]=4 1351 B12R1.25 Cc1c(cccc1SCC=O)Cl 62a_200015260668_100000726075 [1,1,0,0,0,0|1,0,1]=4 1352 B12R1.25 Cc1c(cccc1SCC=O)F 62a_100011216893_200015260668 [1,1,0,0,0,0|1,0,1]=4 1353 B12R1.25 Cc1c(cccc1SCC=O)F 62a_200015260668_100011216893 [1,1,0,0,0,0|1,0,1]=4 1354 B12R1.25 Cc1c(cccc1SCC=O)N 62a_100000761887_200015260668 [1,1,0,0,0,0|1,0,1]=4 1355 B12R1.25 Cc1c(cccc1SCC=O)N 62a_200015260668_100000761887 [1,1,0,0,0,0|1,0,1]=4 1356 B12R1.25 Cc1c(cccc1SCC=O)O 62a_100012002258_200015260668 [1,1,0,0,0,0|1,0,1]=4 1357 B12R1.25 Cc1c(cccc1SCC=O)O 62a_200015260668_100012002258 [1,1,0,0,0,0|1,0,1]=4 1358 B12R1.25 Cc1cccc(c1C)NCC=O 2230a_100000210026_200015260668 [1,1,0,0,0,0|1,0,1]=4 1359 B12R1.25 Cc1cccc(c1C)NCC=O 34a_100000210026_200009817547 [1,1,0,0,0,0|1,0,1]=4 1360 B12R1.25 Cc1cccc(c1C)NCC=O 7a_100000210026_200015260668 [1,1,0,0,0,0|1,0,1]=4 1361 B12R1.25 Cc1cccc(c1C)OCC=O 34a_100000185855_200009817547 [1,1,0,0,0,0|1,0,1]=4 1362 B12R1.25 Cc1cccc(c1C)OCC=O 7a_100000185855_200015260668 [1,1,0,0,0,0|1,0,1]=4 1363 B12R1.25 Cc1cccc(c1C)SCC=O 62a_100011214922_200015260668 [1,1,0,0,0,0|1,0,1]=4 1364 B12R1.25 Cc1cccc(c1C)SCC=O 62a_200015260668_100011214922 [1,1,0,0,0,0|1,0,1]=4 1365 B12R1.25 Cc1cccc(c1O)NCC=O 34a_100000756359_200009817547 [1,1,0,0,0,0|1,0,1]=4 1366 B12R1.25 Cc1cccc(c1O)SCC=O 62a_100009817157_200015260668 [1,1,0,0,0,0|1,0,1]=4 1367 B12R1.25 Cc1cccc(c1O)SCC=O 62a_200015260668_100009817157 [1,1,0,0,0,0|1,0,1]=4 1368 B12R1.25 Nc1cccc(c1O)SCC=O 62a_100011934915_200015260668 [1,1,0,0,0,0|1,0,1]=4 1369 B12R1.25 Nc1cccc(c1O)SCC=O 62a_200015260668_100010084371 [1,1,0,0,0,0|1,0,1]=4 1370 B12R1.25 O=CCNc1cccc(c1O)Br 34a_100011934915_200009817547 [1,1,0,0,0,0|1,0,1]=4 1371 B12R1.25 O=CCNc1cccc(c1O)Cl 34a_100000754742_200009817547 [1,1,0,0,0,0|1,0,1]=4 1372 B12R1.25 O=CCNc1cccc(c1O)F 34a_100011934987_200009817547 [1,1,0,0,0,0|1,0,1]=4 1373 B12R1.25 O=CCSc1cccc(c1O)Br 62a_100010084509_200015260668 [1,1,0,0,0,0|1,0,1]=4 1374 B12R1.25 O=CCSc1cccc(c1O)Br 62a_200015260668_100010084509 [1,1,0,0,0,0|1,0,1]=4 1375 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_100010202889_200015260668 [1,1,0,0,0,0|1,0,1]=4 1376 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_200015260668_100010202889 [1,1,0,0,0,0|1,0,1]=4 1377 B12R1.25 O=CCSc1cccc(c1O)F 62a_100009813666_200015260668 [1,1,0,0,0,0|1,0,1]=4 1378 B12R1.25 O=CCSc1cccc(c1O)F 62a_200015260668_100009813666 [1,1,0,0,0,0|1,0,1]=4 1379 B12R1.25 O=CCSc1cccc(c1O)O 62a_200015260668_100009815950 [1,1,0,0,0,0|1,0,1]=4 1380 B12R1.69 Cc1cc(ccc1NCC=O)Br 34a_100000211769_200009817547 [1,1,0,0,0,0|1,0,1]=4 1381 B12R1.69 Cc1cc(ccc1NCC=O)Br 7a_100000211769_200015260668 [1,1,0,0,0,0|1,0,1]=4 1382 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [1,1,0,0,0,0|1,0,1]=4 1383 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [1,1,0,0,0,0|1,0,1]=4 1384 B12R1.69 Cc1cc(ccc1NCC=O)F 34a_100000211637_200009817547 [1,1,0,0,0,0|1,0,1]=4 1385 B12R1.69 Cc1cc(ccc1NCC=O)F 7a_100000211637_200015260668 [1,1,0,0,0,0|1,0,1]=4 1386 B12R1.69 Cc1cc(ccc1NCC=O)I 34a_100000184554_200009817547 [1,1,0,0,0,0|1,0,1]=4 1387 B12R1.69 Cc1cc(ccc1NCC=O)I 7a_100000184554_200015260668 [1,1,0,0,0,0|1,0,1]=4 1388 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [1,1,0,0,0,0|1,0,1]=4 1389 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [1,1,0,0,0,0|1,0,1]=4 1390 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [1,1,0,0,0,0|1,0,1]=4 1391 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [1,1,0,0,0,0|1,0,1]=4 1392 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [1,1,0,0,0,0|1,0,1]=4 1393 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [1,1,0,0,0,0|1,0,1]=4 1394 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [1,1,0,0,0,0|1,0,1]=4 1395 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [1,1,0,0,0,0|1,0,1]=4 1396 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [1,1,0,0,0,0|1,0,1]=4 1397 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [1,1,0,0,0,0|1,0,1]=4 1398 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [1,1,0,0,0,0|1,0,1]=4 1399 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [1,1,0,0,0,0|1,0,1]=4 1400 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [1,1,0,0,0,0|1,0,1]=4 1401 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [1,1,0,0,0,0|1,0,1]=4 1402 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [1,1,0,0,0,0|1,0,1]=4 1403 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [1,1,0,0,0,0|1,0,1]=4 1404 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [1,1,0,0,0,0|1,0,1]=4 1405 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [1,1,0,0,0,0|1,0,1]=4 1406 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [1,1,0,0,0,0|1,0,1]=4 1407 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [1,1,0,0,0,0|1,0,1]=4 1408 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [1,1,0,0,0,0|1,0,1]=4 1409 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [1,1,0,0,0,0|1,0,1]=4 1410 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [1,1,0,0,0,0|1,0,1]=4 1411 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [1,1,0,0,0,0|1,0,1]=4 1412 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [1,1,0,0,0,0|1,0,1]=4 1413 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [1,1,0,0,0,0|1,0,1]=4 1414 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [1,1,0,0,0,0|1,0,1]=4 1415 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [1,1,0,0,0,0|1,0,1]=4 1416 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [1,1,0,0,0,0|1,0,1]=4 1417 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [1,1,0,0,0,0|1,0,1]=4 1418 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [1,1,0,0,0,0|1,0,1]=4 1419 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [1,1,0,0,0,0|1,0,1]=4 1420 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [1,1,0,0,0,0|1,0,1]=4 1421 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [1,1,0,0,0,0|1,0,1]=4 1422 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [1,1,0,0,0,0|1,0,1]=4 1423 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [1,1,0,0,0,0|1,0,1]=4 1424 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [1,1,0,0,0,0|1,0,1]=4 1425 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [1,1,0,0,0,0|1,0,1]=4 1426 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [1,1,0,0,0,0|1,0,1]=4 1427 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [1,1,0,0,0,0|1,0,1]=4 1428 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [1,1,0,0,0,0|1,0,0]=3 1429 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [1,1,0,0,0,0|1,0,0]=3 1430 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [1,1,0,0,0,0|1,0,0]=3 1431 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [1,1,0,0,0,0|0,0,0]=2 1432 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [1,1,0,0,0,0|0,0,2]=4 1433 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [1,1,0,0,0,0|0,0,2]=4 1434 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,1,0,0,0,0|0,0,2]=4 1435 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,1,0,0,0,0|0,0,2]=4 1436 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [1,1,0,0,0,0|1,0,1]=4 1437 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [1,1,0,0,0,0|1,0,1]=4 1438 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [1,1,0,0,0,0|1,0,1]=4 1439 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [1,1,0,0,0,0|1,0,1]=4 1440 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 1441 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 1442 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 1443 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [1,1,0,0,0,0|1,0,1]=4 1444 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [1,1,0,0,0,0|1,0,1]=4 1445 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [1,1,0,0,0,0|1,0,1]=4 1446 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [1,1,0,0,0,0|1,0,1]=4 1447 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [1,1,0,0,0,0|2,0,0]=4 1448 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [1,1,0,0,0,0|1,0,1]=4 1449 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [1,1,0,0,0,0|0,0,2]=4 1450 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [1,1,0,0,0,0|1,0,1]=4 1451 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [1,1,0,0,0,0|0,0,2]=4 1452 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [1,1,0,0,0,0|0,0,2]=4 1453 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [1,1,0,0,0,0|1,0,1]=4 1454 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [1,1,0,0,0,0|1,0,1]=4 1455 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [1,1,0,0,0,0|1,0,1]=4 1456 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [1,1,0,0,0,0|1,0,1]=4 1457 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [1,1,0,0,0,0|1,0,1]=4 1458 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [1,1,0,0,0,0|1,0,1]=4 1459 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [1,1,0,0,0,0|1,0,1]=4 1460 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [1,1,0,0,0,0|1,0,1]=4 1461 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [1,1,0,0,0,0|1,0,1]=4 1462 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [1,1,0,0,0,0|1,0,1]=4 1463 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [1,1,0,0,0,0|1,0,1]=4 1464 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [1,1,0,0,0,0|0,0,2]=4 1465 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [1,1,0,0,0,0|1,0,1]=4 1466 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [1,1,0,0,0,0|1,0,1]=4 1467 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [1,1,0,0,0,0|1,0,1]=4 1468 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [1,1,0,0,0,0|1,0,1]=4 1469 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [1,1,0,0,0,0|1,0,1]=4 1470 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [1,1,0,0,0,0|1,0,1]=4 1471 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [1,1,0,0,0,0|1,0,1]=4 1472 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [1,1,0,0,0,0|1,0,0]=3 1473 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [1,1,0,0,0,0|1,0,0]=3 1474 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [1,1,0,0,0,0|1,0,0]=3 1475 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [1,1,0,0,0,0|0,0,0]=2 1476 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,1,0,0,0,0|0,0,2]=4 1477 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [1,1,0,0,0,0|1,0,1]=4 1478 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [1,1,0,0,0,0|1,0,1]=4 1479 B12R1.267 C/C=C/CNc1ccccc1C 34a_100015192222_100102629194 [1,1,0,0,0,0|1,0,1]=4 1480 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [1,1,0,0,0,0|1,0,1]=4 1481 B12R1.267 C/C=C/COc1ccccc1C 34a_100000210338_100102629194 [1,1,0,0,0,0|1,0,1]=4 1482 B12R1.267 C/C=C/COc1ccccc1C 7a_100000210338_100102629194 [1,1,0,0,0,0|1,0,1]=4 1483 B12R1.267 C/C=C/CSc1ccccc1C 62a_100000210755_100102629194 [1,1,0,0,0,0|1,0,1]=4 1484 B12R1.267 C/C=C/CSc1ccccc1C 62a_100102629194_100000210755 [1,1,0,0,0,0|1,0,1]=4 1485 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [1,1,0,0,0,0|1,0,1]=4 1486 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [1,1,0,0,0,0|1,0,1]=4 1487 B12R1.267 CC=CCNc1ccccc1C 34a_100015192222_100000070051 [1,1,0,0,0,0|1,0,1]=4 1488 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [1,1,0,0,0,0|1,0,1]=4 1489 B12R1.267 CC=CCOc1ccccc1C 34a_100000210338_100000070051 [1,1,0,0,0,0|1,0,1]=4 1490 B12R1.267 CC=CCOc1ccccc1C 7a_100000210338_100000070051 [1,1,0,0,0,0|1,0,1]=4 1491 B12R1.267 CC=CCSc1ccccc1C 62a_100000070051_100000210755 [1,1,0,0,0,0|1,0,1]=4 1492 B12R1.267 CC=CCSc1ccccc1C 62a_100000210755_100000070051 [1,1,0,0,0,0|1,0,1]=4 1493 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [1,1,0,0,0,0|1,0,1]=4 1494 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [1,1,0,0,0,0|1,0,1]=4 1495 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [1,1,0,0,0,0|1,0,1]=4 1496 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [1,1,0,0,0,0|1,0,1]=4 1497 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [1,1,0,0,0,0|1,0,1]=4 1498 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [1,1,0,0,0,0|1,0,1]=4 1499 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [1,1,0,0,0,0|0,0,2]=4 1500 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [1,1,0,0,0,0|0,0,2]=4 1501 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [1,1,0,0,0,0|0,0,2]=4 1502 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [1,1,0,0,0,0|0,0,2]=4 1503 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [1,1,0,0,0,0|0,0,2]=4 1504 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [1,1,0,0,0,0|0,0,2]=4 1505 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [1,1,0,0,0,0|0,0,2]=4 1506 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [1,1,0,0,0,0|0,0,2]=4 1507 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [1,1,0,0,0,0|1,0,1]=4 1508 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [1,1,0,0,0,0|1,0,1]=4 1509 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [1,1,0,0,0,0|1,0,1]=4 1510 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [1,1,0,0,0,0|1,0,1]=4 1511 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [1,1,0,0,0,0|1,0,1]=4 1512 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [1,1,0,0,0,0|1,0,1]=4 1513 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [1,1,0,0,0,0|1,0,1]=4 1514 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [1,1,0,0,0,0|2,0,0]=4 1515 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [1,1,0,0,0,0|2,0,0]=4 1516 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [1,1,0,0,0,0|2,0,0]=4 1517 B12R1.374 Cc1ccc(c(c1)NCC=O)C 2230a_100000185781_200015260668 [1,1,0,0,0,0|1,0,1]=4 1518 B12R1.374 Cc1ccc(c(c1)NCC=O)C 34a_100000185781_200009817547 [1,1,0,0,0,0|1,0,1]=4 1519 B12R1.374 Cc1ccc(c(c1)NCC=O)C 7a_100000185781_200015260668 [1,1,0,0,0,0|1,0,1]=4 1520 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [1,1,0,0,0,0|1,0,1]=4 1521 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [1,1,0,0,0,0|1,0,1]=4 1522 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [1,1,0,0,0,0|1,0,1]=4 1523 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_100000210833_200015260668 [1,1,0,0,0,0|1,0,1]=4 1524 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_200015260668_100000210833 [1,1,0,0,0,0|1,0,1]=4 1525 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [1,1,0,0,0,0|1,0,1]=4 1526 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [1,1,0,0,0,0|1,0,1]=4 1527 B12R1.374 Cc1ccc(cc1NCC=O)Br 34a_100000741167_200009817547 [1,1,0,0,0,0|1,0,1]=4 1528 B12R1.374 Cc1ccc(cc1NCC=O)Br 7a_100000741167_200015260668 [1,1,0,0,0,0|1,0,1]=4 1529 B12R1.374 Cc1ccc(cc1NCC=O)Cl 34a_100000211374_200009817547 [1,1,0,0,0,0|1,0,1]=4 1530 B12R1.374 Cc1ccc(cc1NCC=O)Cl 7a_100000211374_200015260668 [1,1,0,0,0,0|1,0,1]=4 1531 B12R1.374 Cc1ccc(cc1NCC=O)F 34a_100000211107_200009817547 [1,1,0,0,0,0|1,0,1]=4 1532 B12R1.374 Cc1ccc(cc1NCC=O)F 7a_100000211107_200015260668 [1,1,0,0,0,0|1,0,1]=4 1533 B12R1.374 Cc1ccc(cc1NCC=O)I 7a_100000761890_200015260668 [1,1,0,0,0,0|1,0,1]=4 1534 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [1,1,0,0,0,0|1,0,1]=4 1535 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [1,1,0,0,0,0|1,0,1]=4 1536 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [1,1,0,0,0,0|1,0,1]=4 1537 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [1,1,0,0,0,0|1,0,1]=4 1538 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [1,1,0,0,0,0|1,0,1]=4 1539 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [1,1,0,0,0,0|1,0,1]=4 1540 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [1,1,0,0,0,0|1,0,1]=4 1541 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [1,1,0,0,0,0|1,0,1]=4 1542 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [1,1,0,0,0,0|1,0,1]=4 1543 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [1,1,0,0,0,0|1,0,1]=4 1544 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_100011344865_200015260668 [1,1,0,0,0,0|1,0,1]=4 1545 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_200015260668_100011344865 [1,1,0,0,0,0|1,0,1]=4 1546 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_100011263213_200015260668 [1,1,0,0,0,0|1,0,1]=4 1547 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_200015260668_100011263213 [1,1,0,0,0,0|1,0,1]=4 1548 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_100011218078_200015260668 [1,1,0,0,0,0|1,0,1]=4 1549 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_200015260668_100011218078 [1,1,0,0,0,0|1,0,1]=4 1550 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_100000736455_200015260668 [1,1,0,0,0,0|1,0,1]=4 1551 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_200015260668_100000736455 [1,1,0,0,0,0|1,0,1]=4 1552 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [1,1,0,0,0,0|1,0,1]=4 1553 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [1,1,0,0,0,0|1,0,1]=4 1554 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [1,1,0,0,0,0|1,0,1]=4 1555 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [1,1,0,0,0,0|1,0,1]=4 1556 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [1,1,0,0,0,0|1,0,1]=4 1557 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [1,1,0,0,0,0|1,0,1]=4 1558 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [1,1,0,0,0,0|1,0,1]=4 1559 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [1,1,0,0,0,0|1,0,1]=4 1560 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [1,1,0,0,0,0|1,0,1]=4 1561 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [1,1,0,0,0,0|1,0,1]=4 1562 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [1,1,0,0,0,0|1,0,1]=4 1563 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [1,1,0,0,0,0|1,0,1]=4 1564 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [1,1,0,0,0,0|1,0,1]=4 1565 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [1,1,0,0,0,0|1,0,1]=4 1566 B12R1.1631 Cc1cccc(c1NCC=O)Br 34a_100011834072_200009817547 [1,1,0,0,0,0|1,0,1]=4 1567 B12R1.1631 Cc1cccc(c1NCC=O)C 34a_100000185769_200009817547 [1,1,0,0,0,0|1,0,1]=4 1568 B12R1.1631 Cc1cccc(c1NCC=O)Cl 34a_100000756524_200009817547 [1,1,0,0,0,0|1,0,1]=4 1569 B12R1.1631 Cc1cccc(c1NCC=O)F 34a_100000766463_200009817547 [1,1,0,0,0,0|1,0,1]=4 1570 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [1,1,0,0,0,0|1,0,1]=4 1571 B12R1.1631 Cc1cccc(c1OCC=O)Br 34a_100009817157_200009817547 [1,1,0,0,0,0|1,0,1]=4 1572 B12R1.1631 Cc1cccc(c1OCC=O)Br 7a_100009817157_200015260668 [1,1,0,0,0,0|1,0,1]=4 1573 B12R1.1631 Cc1cccc(c1OCC=O)C 34a_100000210341_200009817547 [1,1,0,0,0,0|1,0,1]=4 1574 B12R1.1631 Cc1cccc(c1OCC=O)C 7a_100000210341_200015260668 [1,1,0,0,0,0|1,0,1]=4 1575 B12R1.1631 Cc1cccc(c1OCC=O)Cl 34a_100000033731_200009817547 [1,1,0,0,0,0|1,0,1]=4 1576 B12R1.1631 Cc1cccc(c1OCC=O)Cl 7a_100000033731_200015260668 [1,1,0,0,0,0|1,0,1]=4 1577 B12R1.1631 Cc1cccc(c1OCC=O)F 34a_100011659162_200009817547 [1,1,0,0,0,0|1,0,1]=4 1578 B12R1.1631 Cc1cccc(c1OCC=O)F 7a_100011659162_200015260668 [1,1,0,0,0,0|1,0,1]=4 1579 B12R1.1631 Cc1cccc(c1OCC=O)N 34a_100000756359_200009817547 [1,1,0,0,0,0|1,0,1]=4 1580 B12R1.1631 Cc1cccc(c1OCC=O)N 7a_100000756359_200015260668 [1,1,0,0,0,0|1,0,1]=4 1581 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_100010141302_200015260668 [1,1,0,0,0,0|1,0,1]=4 1582 B12R1.1631 Cc1cccc(c1SCC=O)Br 62a_200015260668_100010141302 [1,1,0,0,0,0|1,0,1]=4 1583 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_100000033847_200015260668 [1,1,0,0,0,0|1,0,1]=4 1584 B12R1.1631 Cc1cccc(c1SCC=O)C 62a_200015260668_100000033847 [1,1,0,0,0,0|1,0,1]=4 1585 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_100000043165_200015260668 [1,1,0,0,0,0|1,0,1]=4 1586 B12R1.1631 Cc1cccc(c1SCC=O)Cl 62a_200015260668_100000043165 [1,1,0,0,0,0|1,0,1]=4 1587 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_100011218421_200015260668 [1,1,0,0,0,0|1,0,1]=4 1588 B12R1.1631 Cc1cccc(c1SCC=O)F 62a_200015260668_100011218421 [1,1,0,0,0,0|1,0,1]=4 1589 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_100000684715_200015260668 [1,1,0,0,0,0|1,0,1]=4 1590 B12R1.1631 Cc1cccc(c1SCC=O)N 62a_200015260668_100000684715 [1,1,0,0,0,0|1,0,1]=4 1591 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [1,1,0,0,0,0|1,0,1]=4 1592 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [1,1,0,0,0,0|1,0,1]=4 1593 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [1,1,0,0,0,0|1,0,1]=4 1594 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [1,1,0,0,0,0|1,0,1]=4 1595 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [1,1,0,0,0,0|1,0,1]=4 1596 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [1,1,0,0,0,0|1,0,1]=4 1597 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [1,1,0,0,0,0|1,0,1]=4 1598 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [1,1,0,0,0,0|1,0,1]=4 1599 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [1,1,0,0,0,0|1,0,1]=4 1600 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [1,1,0,0,0,0|1,0,1]=4 1601 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [1,1,0,0,0,0|1,0,1]=4 1602 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [1,1,0,0,0,0|1,0,1]=4 1603 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [1,1,0,0,0,0|1,0,1]=4 1604 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [1,1,0,0,0,0|0,1,1]=4 1605 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [1,1,0,0,0,0|0,1,1]=4 1606 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [1,1,0,0,0,0|2,0,0]=4 1607 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [1,1,0,0,0,0|1,0,0]=3 1608 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [1,1,0,0,0,0|1,0,0]=3 1609 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [1,1,0,0,0,0|1,1,0]=4 1610 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [1,1,0,0,0,0|2,0,0]=4 1611 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [1,1,0,0,0,0|2,0,0]=4 1612 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [1,1,0,0,0,0|1,1,0]=4 1613 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [1,1,0,0,0,0|1,1,0]=4 1614 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [1,1,0,0,0,0|1,0,1]=4 1615 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [1,1,0,0,0,0|2,0,0]=4 1616 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [1,1,0,0,0,0|2,0,0]=4 1617 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [1,1,0,0,0,0|2,0,0]=4 1618 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [1,1,0,0,0,0|2,0,0]=4 1619 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [1,1,0,0,0,0|1,0,1]=4 1620 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [1,1,0,0,0,0|2,0,0]=4 1621 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [1,1,0,0,0,0|0,0,1]=3 1622 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [1,1,0,0,0,0|0,0,1]=3 1623 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [1,1,0,0,0,0|0,0,1]=3 1624 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [1,1,0,0,0,0|0,0,1]=3 1625 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [1,1,0,0,0,0|1,0,0]=3 1626 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [1,1,0,0,0,0|1,0,0]=3 1627 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [1,1,0,0,0,0|1,0,0]=3 1628 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [1,1,0,0,0,0|1,0,0]=3 1629 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [1,1,0,0,0,0|1,0,0]=3 1630 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [1,1,0,0,0,0|1,0,0]=3 1631 B12R1.75 COc1ccccc1NC(=S)N 7a_200000011649_200000210301 [1,1,0,0,0,0|1,1,0]=4 1632 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [1,1,0,0,0,0|1,0,1]=4 1633 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [1,1,0,0,0,0|2,0,0]=4 1634 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [1,1,0,0,0,0|2,0,0]=4 1635 B12R1.75 COc1ccncc1C=C(C)C 271570a_100102525489_100011997281 [1,1,0,0,0,0|1,0,1]=4 1636 B12R1.75 COc1cnccc1C=C(C)C 271570a_100102525489_100016988167 [1,1,0,0,0,0|1,0,1]=4 1637 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [1,1,0,0,0,0|1,0,1]=4 1638 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [1,1,0,0,0,0|1,0,1]=4 1639 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [1,1,0,0,0,0|1,0,1]=4 1640 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [1,1,0,0,0,0|0,1,1]=4 1641 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [1,1,0,0,0,0|0,1,1]=4 1642 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [1,1,0,0,0,0|0,1,1]=4 1643 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [1,1,0,0,0,0|0,1,1]=4 1644 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [1,1,0,0,0,0|0,1,1]=4 1645 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [1,1,0,0,0,0|0,1,1]=4 1646 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [1,1,0,0,0,0|1,1,0]=4 1647 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [1,1,0,0,0,0|1,1,0]=4 1648 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [1,1,0,0,0,0|1,1,0]=4 1649 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [1,1,0,0,0,0|1,1,0]=4 1650 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [1,1,0,0,0,0|1,1,0]=4 1651 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [1,1,0,0,0,0|1,1,0]=4 1652 B12R1.75 [13CH3]Oc1ccccc1NC(=S)N 7a_200000011649_200025704644 [1,1,0,0,0,0|1,1,0]=4 1653 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [1,1,0,0,0,0|0,1,1]=4 1654 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [1,1,0,0,0,0|0,1,1]=4 1655 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [1,1,0,0,0,0|1,1,0]=4 1656 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [1,1,0,0,0,0|1,0,1]=4 1657 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [1,1,0,0,0,0|0,0,2]=4 1658 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [1,1,0,0,0,0|0,0,2]=4 1659 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [1,1,0,0,0,0|0,0,2]=4 1660 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [1,1,0,0,0,0|1,0,1]=4 1661 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [1,1,0,0,0,0|1,0,1]=4 1662 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [1,1,0,0,0,0|1,0,1]=4 1663 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1664 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [1,1,0,0,0,0|1,0,1]=4 1665 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1666 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [1,1,0,0,0,0|1,0,1]=4 1667 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [1,1,0,0,0,0|1,0,1]=4 1668 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [1,1,0,0,0,0|1,0,1]=4 1669 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [1,1,0,0,0,0|1,0,1]=4 1670 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [1,1,0,0,0,0|1,0,1]=4 1671 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [1,1,0,0,0,0|1,0,1]=4 1672 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [1,1,0,0,0,0|1,0,1]=4 1673 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [1,1,0,0,0,0|2,0,0]=4 1674 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [1,1,0,0,0,0|1,0,1]=4 1675 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [1,1,0,0,0,0|1,0,1]=4 1676 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [1,1,0,0,0,0|2,0,0]=4 1677 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [1,1,0,0,0,0|1,0,1]=4 1678 B12R1.112 C=C=Cc1ccc(cc1CC)Br 271570a_100015277604_100011216195 [1,1,0,0,0,0|1,0,1]=4 1679 B12R1.112 C=C=Cc1ccc(cc1CC)N 271570a_100015277604_100010109747 [1,1,0,0,0,0|1,0,1]=4 1680 B12R1.112 C=C=Cc1ccc(cc1NC)F 271570a_100015277604_100020633008 [1,1,0,0,0,0|1,0,1]=4 1681 B12R1.112 C=C=Cc1ccc(cc1OC)Br 271570a_100015277604_100010245111 [1,1,0,0,0,0|0,0,1]=3 1682 B12R1.112 C=C=Cc1ccc(cc1OC)C 271570a_100015277604_100010200004 [1,1,0,0,0,0|0,0,1]=3 1683 B12R1.112 C=C=Cc1ccc(cc1OC)Cl 271570a_100015277604_100000050115 [1,1,0,0,0,0|0,0,1]=3 1684 B12R1.112 C=C=Cc1ccc(cc1OC)F 271570a_100015277604_100000757151 [1,1,0,0,0,0|0,0,1]=3 1685 B12R1.112 C=C=Cc1ccc(cc1OC)N 271570a_100015277604_100000765947 [1,1,0,0,0,0|0,0,1]=3 1686 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [1,1,0,0,0,0|0,0,1]=3 1687 B12R1.112 C=C=Cc1ccc(cc1SC)C 271570a_100015277604_200010709736 [1,1,0,0,0,0|0,1,1]=4 1688 B12R1.112 C=C=Cc1ccc(nc1OC)C 271570a_100015277604_100010138632 [1,1,0,0,0,0|1,0,1]=4 1689 B12R1.112 C=C=Cc1ccc(nc1OC)N 271570a_100015277604_100010187630 [1,1,0,0,0,0|1,0,1]=4 1690 B12R1.112 C=C=Cc1cnc(cc1OC)C 271570a_100015277604_100000717771 [1,1,0,0,0,0|1,0,1]=4 1691 B12R1.112 C=C=Cc1cnc(cc1OC)Cl 271570a_100015277604_100010154656 [1,1,0,0,0,0|1,0,1]=4 1692 B12R1.112 C=C=Cc1cnc(cc1OC)F 271570a_100015277604_100010135560 [1,1,0,0,0,0|1,0,1]=4 1693 B12R1.112 C=C=Cc1cnc(cc1OC)N 271570a_100015277604_100015506990 [1,1,0,0,0,0|1,0,1]=4 1694 B12R1.112 C=C=Cc1ncc(cc1OC)C 271570a_100015277604_200000118316 [1,1,0,0,0,0|1,0,1]=4 1695 B12R1.112 C=C=Cc1ncc(cc1OC)F 271570a_100015277604_100009867738 [1,1,0,0,0,0|1,0,1]=4 1696 B12R1.112 C=C=Cc1ncc(cc1OC)N 271570a_100015277604_100000097218 [1,1,0,0,0,0|1,0,1]=4 1697 B12R1.112 CC=Cc1ccc(cc1CC)Br 271570a_100016259895_100011216195 [1,1,0,0,0,0|1,0,1]=4 1698 B12R1.112 CC=Cc1ccc(cc1CC)N 271570a_100016259895_100010109747 [1,1,0,0,0,0|1,0,1]=4 1699 B12R1.112 CC=Cc1ccc(cc1NC)F 271570a_100016259895_100020633008 [1,1,0,0,0,0|1,0,1]=4 1700 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [1,1,0,0,0,0|0,0,1]=3 1701 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [1,1,0,0,0,0|0,0,1]=3 1702 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [1,1,0,0,0,0|0,0,1]=3 1703 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [1,1,0,0,0,0|0,0,1]=3 1704 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [1,1,0,0,0,0|0,0,1]=3 1705 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [1,1,0,0,0,0|0,0,1]=3 1706 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [1,1,0,0,0,0|0,1,1]=4 1707 B12R1.112 CC=Cc1ccc(nc1OC)C 271570a_100016259895_100010138632 [1,1,0,0,0,0|1,0,1]=4 1708 B12R1.112 CC=Cc1ccc(nc1OC)N 271570a_100016259895_100010187630 [1,1,0,0,0,0|1,0,1]=4 1709 B12R1.112 CC=Cc1cnc(cc1OC)C 271570a_100016259895_100000717771 [1,1,0,0,0,0|1,0,1]=4 1710 B12R1.112 CC=Cc1cnc(cc1OC)Cl 271570a_100016259895_100010154656 [1,1,0,0,0,0|1,0,1]=4 1711 B12R1.112 CC=Cc1cnc(cc1OC)F 271570a_100016259895_100010135560 [1,1,0,0,0,0|1,0,1]=4 1712 B12R1.112 CC=Cc1cnc(cc1OC)N 271570a_100016259895_100015506990 [1,1,0,0,0,0|1,0,1]=4 1713 B12R1.112 CC=Cc1ncc(cc1OC)C 271570a_100016259895_200000118316 [1,1,0,0,0,0|1,0,1]=4 1714 B12R1.112 CC=Cc1ncc(cc1OC)F 271570a_100016259895_100009867738 [1,1,0,0,0,0|1,0,1]=4 1715 B12R1.112 CC=Cc1ncc(cc1OC)N 271570a_100016259895_100000097218 [1,1,0,0,0,0|1,0,1]=4 1716 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [1,1,0,0,0,0|0,0,1]=3 1717 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [1,1,0,0,0,0|0,0,1]=3 1718 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [1,1,0,0,0,0|0,0,1]=3 1719 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [1,1,0,0,0,0|0,0,1]=3 1720 B12R1.169 C=C=Cc1ccccc1CCN 271570a_100015277604_100000747383 [1,1,0,0,0,0|1,0,1]=4 1721 B12R1.169 C=C=Cc1ccccc1CCO 271570a_100015277604_100000731337 [1,1,0,0,0,0|1,0,1]=4 1722 B12R1.169 C=C=Cc1ccccc1CNC 271570a_100015277604_100000184654 [1,1,0,0,0,0|1,0,1]=4 1723 B12R1.169 C=C=Cc1ccccc1COC 271570a_100015277604_100011493684 [1,1,0,0,0,0|0,0,1]=3 1724 B12R1.169 C=C=Cc1ccccc1CSC 271570a_100015277604_100000148299 [1,1,0,0,0,0|0,1,1]=4 1725 B12R1.169 C=C=Cc1ccccc1NCC 271570a_100015277604_114873767003 [1,1,0,0,0,0|1,0,1]=4 1726 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [1,1,0,0,0,0|0,0,1]=3 1727 B12R1.169 C=C=Cc1ccccc1SCC 271570a_100015277604_100000230856 [1,1,0,0,0,0|0,1,1]=4 1728 B12R1.169 C=C=Cc1cccnc1OCC 271570a_100015277604_100011465154 [1,1,0,0,0,0|1,0,1]=4 1729 B12R1.169 C=C=Cc1ncccc1OCC 271570a_100015277604_100011597540 [1,1,0,0,0,0|1,0,1]=4 1730 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [1,1,0,0,0,0|1,0,1]=4 1731 B12R1.169 C=CCc1ccccc1CNC 207a_100102657272_100010619294 [1,1,0,0,0,0|1,0,1]=4 1732 B12R1.169 C=CCc1ccccc1CNC 26a_100102657272_100000211836 [1,1,0,0,0,0|1,0,1]=4 1733 B12R1.169 C=CCc1ccccc1CNC 270004a_106832991635_100010619294 [1,1,0,0,0,0|1,0,1]=4 1734 B12R1.169 C=CCc1ccccc1NCC 2230a_200138433279_100000210202 [1,1,0,0,0,0|1,0,1]=4 1735 B12R1.169 C=CCc1ccccc1NCC 34a_200138433279_100000210202 [1,1,0,0,0,0|1,0,1]=4 1736 B12R1.169 C=CCc1ccccc1NCF 34a_200138433279_100015361967 [1,1,0,0,0,0|1,0,1]=4 1737 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [1,1,0,0,0,0|0,0,1]=3 1738 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [1,1,0,0,0,0|0,0,1]=3 1739 B12R1.169 C=CCc1ccccc1OCF 34a_100000211836_100015361967 [1,1,0,0,0,0|0,0,1]=3 1740 B12R1.169 C=CCc1ccccc1OCF 7a_100000211836_100015361967 [1,1,0,0,0,0|0,0,1]=3 1741 B12R1.169 C=CCc1ccccc1SCC 62a_100000210202_100009828059 [1,1,0,0,0,0|0,1,1]=4 1742 B12R1.169 C=CCc1ccccc1SCC 62a_100009828059_100000210202 [1,1,0,0,0,0|0,1,1]=4 1743 B12R1.169 C=CCc1ccccc1SCF 62a_100009828059_100015361967 [1,1,0,0,0,0|0,1,1]=4 1744 B12R1.169 C=CCc1ccccc1SCF 62a_100015361967_100009828059 [1,1,0,0,0,0|0,1,1]=4 1745 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [1,1,0,0,0,0|1,0,1]=4 1746 B12R1.169 CC=Cc1ccccc1CCO 271570a_100016259895_100000731337 [1,1,0,0,0,0|1,0,1]=4 1747 B12R1.169 CC=Cc1ccccc1CNC 271570a_100016259895_100000184654 [1,1,0,0,0,0|1,0,1]=4 1748 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [1,1,0,0,0,0|0,0,1]=3 1749 B12R1.169 CC=Cc1ccccc1CSC 271570a_100016259895_100000148299 [1,1,0,0,0,0|0,1,1]=4 1750 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [1,1,0,0,0,0|1,0,1]=4 1751 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [1,1,0,0,0,0|0,0,1]=3 1752 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [1,1,0,0,0,0|0,1,1]=4 1753 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [1,1,0,0,0,0|1,0,1]=4 1754 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [1,1,0,0,0,0|1,0,1]=4 1755 B12R1.169 CCSc1ccccc1NC=O 62a_100000210202_200020615051 [1,1,0,0,0,0|1,1,0]=4 1756 B12R1.169 CCSc1ccccc1NC=O 62a_200020615051_100000210202 [1,1,0,0,0,0|1,1,0]=4 1757 B12R1.169 O=CNc1ccccc1SCF 62a_100015361967_200020615051 [1,1,0,0,0,0|1,1,0]=4 1758 B12R1.169 O=CNc1ccccc1SCF 62a_200020615051_100015361967 [1,1,0,0,0,0|1,1,0]=4 1759 B12R1.268 C=C=Cc1cc(=O)[nH]cc1OC 271570a_100015277604_100121573661 [1,1,0,0,0,0|1,0,1]=4 1760 B12R1.268 C=C=Cc1cc(ccc1NC)C 271570a_100015277604_100000221369 [1,1,0,0,0,0|1,0,1]=4 1761 B12R1.268 C=C=Cc1cc(ccc1NC)F 271570a_100015277604_100011246292 [1,1,0,0,0,0|1,0,1]=4 1762 B12R1.268 C=C=Cc1cc(ccc1OC)Br 271570a_100015277604_100012351588 [1,1,0,0,0,0|0,0,1]=3 1763 B12R1.268 C=C=Cc1cc(ccc1OC)C 271570a_100015277604_100000186399 [1,1,0,0,0,0|0,0,1]=3 1764 B12R1.268 C=C=Cc1cc(ccc1OC)Cl 271570a_100015277604_100011215930 [1,1,0,0,0,0|0,0,1]=3 1765 B12R1.268 C=C=Cc1cc(ccc1OC)F 271570a_100015277604_100000171694 [1,1,0,0,0,0|0,0,1]=3 1766 B12R1.268 C=C=Cc1cc(ccc1OC)N 271570a_100015277604_100000187427 [1,1,0,0,0,0|0,0,1]=3 1767 B12R1.268 C=C=Cc1cc(ccc1OC)O 271570a_100015277604_100010084122 [1,1,0,0,0,0|0,0,1]=3 1768 B12R1.268 C=C=Cc1cc(ccc1SC)C 271570a_100015277604_200010201864 [1,1,0,0,0,0|0,1,1]=4 1769 B12R1.268 C=C=Cc1cc(ccc1SC)F 271570a_100015277604_100009817003 [1,1,0,0,0,0|0,1,1]=4 1770 B12R1.268 C=C=Cc1cc(cnc1OC)Br 271570a_100015277604_100009814608 [1,1,0,0,0,0|1,0,1]=4 1771 B12R1.268 C=C=Cc1cc(cnc1OC)C 271570a_100015277604_100012353929 [1,1,0,0,0,0|1,0,1]=4 1772 B12R1.268 C=C=Cc1cc(cnc1OC)F 271570a_100015277604_100009828472 [1,1,0,0,0,0|1,0,1]=4 1773 B12R1.268 C=C=Cc1cc(cnc1OC)N 271570a_100015277604_100012351452 [1,1,0,0,0,0|1,0,1]=4 1774 B12R1.268 C=C=Cc1cc(ncc1OC)C 271570a_100015277604_100010109759 [1,1,0,0,0,0|1,0,1]=4 1775 B12R1.268 C=C=Cc1nc(ccc1OC)C 271570a_100015277604_100009820875 [1,1,0,0,0,0|1,0,1]=4 1776 B12R1.268 C=C=Cc1nc(ccc1OC)N 271570a_100015277604_100010172607 [1,1,0,0,0,0|1,0,1]=4 1777 B12R1.268 CC=Cc1cc(=O)[nH]cc1OC 271570a_100016259895_100121573661 [1,1,0,0,0,0|1,0,1]=4 1778 B12R1.268 CC=Cc1cc(ccc1NC)C 271570a_100016259895_100000221369 [1,1,0,0,0,0|1,0,1]=4 1779 B12R1.268 CC=Cc1cc(ccc1NC)F 271570a_100016259895_100011246292 [1,1,0,0,0,0|1,0,1]=4 1780 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [1,1,0,0,0,0|0,0,1]=3 1781 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [1,1,0,0,0,0|0,0,1]=3 1782 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [1,1,0,0,0,0|0,0,1]=3 1783 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [1,1,0,0,0,0|0,0,1]=3 1784 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [1,1,0,0,0,0|0,0,1]=3 1785 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [1,1,0,0,0,0|0,0,1]=3 1786 B12R1.268 CC=Cc1cc(ccc1SC)C 271570a_100016259895_200010201864 [1,1,0,0,0,0|0,1,1]=4 1787 B12R1.268 CC=Cc1cc(ccc1SC)F 271570a_100016259895_100009817003 [1,1,0,0,0,0|0,1,1]=4 1788 B12R1.268 CC=Cc1cc(cnc1OC)Br 271570a_100016259895_100009814608 [1,1,0,0,0,0|1,0,1]=4 1789 B12R1.268 CC=Cc1cc(cnc1OC)C 271570a_100016259895_100012353929 [1,1,0,0,0,0|1,0,1]=4 1790 B12R1.268 CC=Cc1cc(cnc1OC)F 271570a_100016259895_100009828472 [1,1,0,0,0,0|1,0,1]=4 1791 B12R1.268 CC=Cc1cc(cnc1OC)N 271570a_100016259895_100012351452 [1,1,0,0,0,0|1,0,1]=4 1792 B12R1.268 CC=Cc1cc(ncc1OC)C 271570a_100016259895_100010109759 [1,1,0,0,0,0|1,0,1]=4 1793 B12R1.268 CC=Cc1nc(ccc1OC)C 271570a_100016259895_100009820875 [1,1,0,0,0,0|1,0,1]=4 1794 B12R1.268 CC=Cc1nc(ccc1OC)N 271570a_100016259895_100010172607 [1,1,0,0,0,0|1,0,1]=4 1795 B12R1.283 C=C=Cc1ccccc1C(=O)C 271570a_100015277604_100000751169 [1,1,0,0,0,0|1,0,1]=4 1796 B12R1.283 C=C=Cc1ccccc1C(C)C 271570a_100015277604_100011218076 [1,1,0,0,0,0|1,0,1]=4 1797 B12R1.283 C=C=Cc1ccccc1C(C)N 271570a_100015277604_100000181357 [1,1,0,0,0,0|1,0,1]=4 1798 B12R1.283 C=C=Cc1ccccc1C(C)O 271570a_100015277604_100000702211 [1,1,0,0,0,0|1,0,1]=4 1799 B12R1.283 C=C=Cc1ccccc1N(C)C 271570a_100015277604_100011290883 [1,1,0,0,0,0|1,0,1]=4 1800 B12R1.283 C=C=Cc1ccccc1S(=O)C 271570a_100015277604_100000734199 [1,1,0,0,0,0|0,1,1]=4 1801 B12R1.283 C=CCc1ccccc1C(=C)C 271570a_100000694244_100009828059 [1,1,0,0,0,0|1,0,1]=4 1802 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,1,0,0,0,0|1,0,1]=4 1803 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [1,1,0,0,0,0|1,0,1]=4 1804 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [1,1,0,0,0,0|1,0,1]=4 1805 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [1,1,0,0,0,0|1,0,1]=4 1806 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [1,1,0,0,0,0|1,0,1]=4 1807 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [1,1,0,0,0,0|0,1,1]=4 1808 B12R1.542 C=C=Cc1cccc(c1NC)N 271570a_100015277604_100010510394 [1,1,0,0,0,0|1,0,1]=4 1809 B12R1.542 C=C=Cc1cccc(c1OC)Br 271570a_100015277604_100010146560 [1,1,0,0,0,0|0,0,1]=3 1810 B12R1.542 C=C=Cc1cccc(c1OC)C 271570a_100015277604_100010141385 [1,1,0,0,0,0|0,0,1]=3 1811 B12R1.542 C=C=Cc1cccc(c1OC)Cl 271570a_100015277604_100010147678 [1,1,0,0,0,0|0,0,1]=3 1812 B12R1.542 C=C=Cc1cccc(c1OC)F 271570a_100015277604_100009816759 [1,1,0,0,0,0|0,0,1]=3 1813 B12R1.542 C=C=Cc1cccc(c1OC)N 271570a_100015277604_100011935253 [1,1,0,0,0,0|0,0,1]=3 1814 B12R1.542 C=C=Cc1cccc(c1OC)O 271570a_100015277604_100010234590 [1,1,0,0,0,0|0,0,1]=3 1815 B12R1.542 C=C=Cc1cccc(c1SC)F 271570a_100015277604_200010709249 [1,1,0,0,0,0|0,1,1]=4 1816 B12R1.542 C=C=Cc1ccnc(c1OC)C 271570a_100015277604_100000685116 [1,1,0,0,0,0|1,0,1]=4 1817 B12R1.542 C=C=Cc1ccnc(c1OC)Cl 271570a_100015277604_100010068014 [1,1,0,0,0,0|1,0,1]=4 1818 B12R1.542 C=C=Cc1ccnc(c1OC)N 271570a_100015277604_100009880012 [1,1,0,0,0,0|1,0,1]=4 1819 B12R1.542 C=C=Cc1cncc(c1OC)N 271570a_100015277604_100012359933 [1,1,0,0,0,0|1,0,1]=4 1820 B12R1.542 C=C=Cc1nccc(c1OC)N 271570a_100015277604_100000104429 [1,1,0,0,0,0|1,0,1]=4 1821 B12R1.542 C=C=Cc1nccc(c1OC)O 271570a_100015277604_100000104430 [1,1,0,0,0,0|1,0,1]=4 1822 B12R1.542 C=CCc1cccc(c1OC)C 34a_200011218211_200000210301 [1,1,0,0,0,0|0,0,1]=3 1823 B12R1.542 C=CCc1cccc(c1OC)C 7a_200011218211_200000210301 [1,1,0,0,0,0|0,0,1]=3 1824 B12R1.542 C=CCc1cccc(c1O[13CH3])C 34a_200011218211_200025704644 [1,1,0,0,0,0|0,0,1]=3 1825 B12R1.542 C=CCc1cccc(c1O[13CH3])C 7a_200011218211_200025704644 [1,1,0,0,0,0|0,0,1]=3 1826 B12R1.542 CC=Cc1cccc(c1NC)N 271570a_100016259895_100010510394 [1,1,0,0,0,0|1,0,1]=4 1827 B12R1.542 CC=Cc1cccc(c1OC)Br 271570a_100016259895_100010146560 [1,1,0,0,0,0|0,0,1]=3 1828 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [1,1,0,0,0,0|0,0,1]=3 1829 B12R1.542 CC=Cc1cccc(c1OC)Cl 271570a_100016259895_100010147678 [1,1,0,0,0,0|0,0,1]=3 1830 B12R1.542 CC=Cc1cccc(c1OC)F 271570a_100016259895_100009816759 [1,1,0,0,0,0|0,0,1]=3 1831 B12R1.542 CC=Cc1cccc(c1OC)N 271570a_100016259895_100011935253 [1,1,0,0,0,0|0,0,1]=3 1832 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [1,1,0,0,0,0|0,0,1]=3 1833 B12R1.542 CC=Cc1cccc(c1SC)F 271570a_100016259895_200010709249 [1,1,0,0,0,0|0,1,1]=4 1834 B12R1.542 CC=Cc1ccnc(c1OC)C 271570a_100016259895_100000685116 [1,1,0,0,0,0|1,0,1]=4 1835 B12R1.542 CC=Cc1ccnc(c1OC)Cl 271570a_100016259895_100010068014 [1,1,0,0,0,0|1,0,1]=4 1836 B12R1.542 CC=Cc1ccnc(c1OC)N 271570a_100016259895_100009880012 [1,1,0,0,0,0|1,0,1]=4 1837 B12R1.542 CC=Cc1cncc(c1OC)N 271570a_100016259895_100012359933 [1,1,0,0,0,0|1,0,1]=4 1838 B12R1.542 CC=Cc1nccc(c1OC)N 271570a_100016259895_100000104429 [1,1,0,0,0,0|1,0,1]=4 1839 B12R1.542 CC=Cc1nccc(c1OC)O 271570a_100016259895_100000104430 [1,1,0,0,0,0|1,0,1]=4 1840 B12R1.1112 C=C=Cc1c(cccc1CC)C 271570a_100015277604_100000036235 [1,1,0,0,0,0|1,0,1]=4 1841 B12R1.1112 C=C=Cc1c(cccc1OC)Br 271570a_100015277604_100010131421 [1,1,0,0,0,0|0,0,1]=3 1842 B12R1.1112 C=C=Cc1c(cccc1OC)F 271570a_100015277604_100000041735 [1,1,0,0,0,0|0,0,1]=3 1843 B12R1.1112 C=C=Cc1c(cccc1OC)N 271570a_100015277604_100000703447 [1,1,0,0,0,0|0,0,1]=3 1844 B12R1.1112 C=C=Cc1c(cccc1OC)O 271570a_100015277604_100010202623 [1,1,0,0,0,0|0,0,1]=3 1845 B12R1.1112 C=C=Cc1c(ccnc1OC)C 271570a_100015277604_100012353928 [1,1,0,0,0,0|1,0,1]=4 1846 B12R1.1112 C=C=Cc1c(ccnc1OC)N 271570a_100015277604_100010243811 [1,1,0,0,0,0|1,0,1]=4 1847 B12R1.1112 CC=Cc1c(cccc1CC)C 271570a_100016259895_100000036235 [1,1,0,0,0,0|1,0,1]=4 1848 B12R1.1112 CC=Cc1c(cccc1OC)Br 271570a_100016259895_100010131421 [1,1,0,0,0,0|0,0,1]=3 1849 B12R1.1112 CC=Cc1c(cccc1OC)F 271570a_100016259895_100000041735 [1,1,0,0,0,0|0,0,1]=3 1850 B12R1.1112 CC=Cc1c(cccc1OC)N 271570a_100016259895_100000703447 [1,1,0,0,0,0|0,0,1]=3 1851 B12R1.1112 CC=Cc1c(cccc1OC)O 271570a_100016259895_100010202623 [1,1,0,0,0,0|0,0,1]=3 1852 B12R1.1112 CC=Cc1c(ccnc1OC)C 271570a_100016259895_100012353928 [1,1,0,0,0,0|1,0,1]=4 1853 B12R1.1112 CC=Cc1c(ccnc1OC)N 271570a_100016259895_100010243811 [1,1,0,0,0,0|1,0,1]=4 1854 B14R1.461 C/C=C/CNc1ccc(cc1OC)Br 34a_100011279103_100102629194 [0,2,0,0,0,0|1,0,1]=4 1855 B14R1.461 C/C=C/CNc1ccc(cc1OC)C 34a_100000746441_100102629194 [0,2,0,0,0,0|1,0,1]=4 1856 B14R1.461 C/C=C/CNc1ccc(cc1OC)Cl 34a_100000707585_100102629194 [0,2,0,0,0,0|1,0,1]=4 1857 B14R1.461 C/C=C/CNc1ccc(cc1OC)F 34a_100000737216_100102629194 [0,2,0,0,0,0|1,0,1]=4 1858 B14R1.461 C/C=C/CNc1ccc(cc1OC)I 34a_100015196925_100102629194 [0,2,0,0,0,0|1,0,1]=4 1859 B14R1.461 C/C=C/CNc1ccc(cc1OC)O 34a_100015326901_100102629194 [0,2,0,0,0,0|1,0,1]=4 1860 B14R1.461 C/C=C/COc1ccc(cc1OC)Br 34a_100000694246_100102629194 [0,2,0,0,0,0|1,0,1]=4 1861 B14R1.461 C/C=C/COc1ccc(cc1OC)Br 7a_100000694246_100102629194 [0,2,0,0,0,0|1,0,1]=4 1862 B14R1.461 C/C=C/COc1ccc(cc1OC)C 34a_100000186466_100102629194 [0,2,0,0,0,0|1,0,1]=4 1863 B14R1.461 C/C=C/COc1ccc(cc1OC)Cl 34a_100000033002_100102629194 [0,2,0,0,0,0|1,0,1]=4 1864 B14R1.461 C/C=C/COc1ccc(cc1OC)F 34a_100000036057_100102629194 [0,2,0,0,0,0|1,0,1]=4 1865 B14R1.461 C/C=C/COc1ccc(cc1OC)F 7a_100000036057_100102629194 [0,2,0,0,0,0|1,0,1]=4 1866 B14R1.461 C/C=C/COc1ccc(cc1OC)I 34a_100000049635_100102629194 [0,2,0,0,0,0|1,0,1]=4 1867 B14R1.461 C/C=C/COc1ccc(cc1OC)N 34a_100000726020_100102629194 [0,2,0,0,0,0|1,0,1]=4 1868 B14R1.461 C/C=C/CSc1ccc(cc1OC)Br 62a_100010245111_100102629194 [0,2,0,0,0,0|1,0,1]=4 1869 B14R1.461 C/C=C/CSc1ccc(cc1OC)Br 62a_100102629194_100010245111 [0,2,0,0,0,0|1,0,1]=4 1870 B14R1.461 C/C=C/CSc1ccc(cc1OC)C 62a_100010200004_100102629194 [0,2,0,0,0,0|1,0,1]=4 1871 B14R1.461 C/C=C/CSc1ccc(cc1OC)C 62a_100102629194_100010200004 [0,2,0,0,0,0|1,0,1]=4 1872 B14R1.461 C/C=C/CSc1ccc(cc1OC)Cl 62a_100000050115_100102629194 [0,2,0,0,0,0|1,0,1]=4 1873 B14R1.461 C/C=C/CSc1ccc(cc1OC)Cl 62a_100102629194_100000050115 [0,2,0,0,0,0|1,0,1]=4 1874 B14R1.461 C/C=C/CSc1ccc(cc1OC)F 62a_100000757151_100102629194 [0,2,0,0,0,0|1,0,1]=4 1875 B14R1.461 C/C=C/CSc1ccc(cc1OC)F 62a_100102629194_100000757151 [0,2,0,0,0,0|1,0,1]=4 1876 B14R1.461 C/C=C/CSc1ccc(cc1OC)N 62a_100000765947_100102629194 [0,2,0,0,0,0|1,0,1]=4 1877 B14R1.461 C/C=C/CSc1ccc(cc1OC)N 62a_100102629194_100000765947 [0,2,0,0,0,0|1,0,1]=4 1878 B14R1.461 C/C=C/CSc1ccc(cc1OC)O 62a_100102629194_100011827694 [0,2,0,0,0,0|1,0,1]=4 1879 B14R1.461 CC=CCNc1ccc(cc1OC)Br 34a_100011279103_100000070051 [0,2,0,0,0,0|1,0,1]=4 1880 B14R1.461 CC=CCNc1ccc(cc1OC)C 2230a_100000746441_100000070051 [0,2,0,0,0,0|1,0,1]=4 1881 B14R1.461 CC=CCNc1ccc(cc1OC)C 34a_100000746441_100000070051 [0,2,0,0,0,0|1,0,1]=4 1882 B14R1.461 CC=CCNc1ccc(cc1OC)Cl 34a_100000707585_100000070051 [0,2,0,0,0,0|1,0,1]=4 1883 B14R1.461 CC=CCNc1ccc(cc1OC)F 34a_100000737216_100000070051 [0,2,0,0,0,0|1,0,1]=4 1884 B14R1.461 CC=CCNc1ccc(cc1OC)I 34a_100015196925_100000070051 [0,2,0,0,0,0|1,0,1]=4 1885 B14R1.461 CC=CCNc1ccc(cc1OC)O 34a_100015326901_100000070051 [0,2,0,0,0,0|1,0,1]=4 1886 B14R1.461 CC=CCOc1ccc(cc1OC)Br 34a_100000694246_100000070051 [0,2,0,0,0,0|1,0,1]=4 1887 B14R1.461 CC=CCOc1ccc(cc1OC)Br 7a_100000694246_100000070051 [0,2,0,0,0,0|1,0,1]=4 1888 B14R1.461 CC=CCOc1ccc(cc1OC)C 34a_100000186466_100000070051 [0,2,0,0,0,0|1,0,1]=4 1889 B14R1.461 CC=CCOc1ccc(cc1OC)Cl 34a_100000033002_100000070051 [0,2,0,0,0,0|1,0,1]=4 1890 B14R1.461 CC=CCOc1ccc(cc1OC)F 34a_100000036057_100000070051 [0,2,0,0,0,0|1,0,1]=4 1891 B14R1.461 CC=CCOc1ccc(cc1OC)F 7a_100000036057_100000070051 [0,2,0,0,0,0|1,0,1]=4 1892 B14R1.461 CC=CCOc1ccc(cc1OC)I 34a_100000049635_100000070051 [0,2,0,0,0,0|1,0,1]=4 1893 B14R1.461 CC=CCOc1ccc(cc1OC)N 34a_100000726020_100000070051 [0,2,0,0,0,0|1,0,1]=4 1894 B14R1.461 CC=CCSc1ccc(cc1OC)Br 62a_100000070051_100010245111 [0,2,0,0,0,0|1,0,1]=4 1895 B14R1.461 CC=CCSc1ccc(cc1OC)Br 62a_100010245111_100000070051 [0,2,0,0,0,0|1,0,1]=4 1896 B14R1.461 CC=CCSc1ccc(cc1OC)C 62a_100000070051_100010200004 [0,2,0,0,0,0|1,0,1]=4 1897 B14R1.461 CC=CCSc1ccc(cc1OC)C 62a_100010200004_100000070051 [0,2,0,0,0,0|1,0,1]=4 1898 B14R1.461 CC=CCSc1ccc(cc1OC)Cl 62a_100000050115_100000070051 [0,2,0,0,0,0|1,0,1]=4 1899 B14R1.461 CC=CCSc1ccc(cc1OC)Cl 62a_100000070051_100000050115 [0,2,0,0,0,0|1,0,1]=4 1900 B14R1.461 CC=CCSc1ccc(cc1OC)F 62a_100000070051_100000757151 [0,2,0,0,0,0|1,0,1]=4 1901 B14R1.461 CC=CCSc1ccc(cc1OC)F 62a_100000757151_100000070051 [0,2,0,0,0,0|1,0,1]=4 1902 B14R1.461 CC=CCSc1ccc(cc1OC)N 62a_100000070051_100000765947 [0,2,0,0,0,0|1,0,1]=4 1903 B14R1.461 CC=CCSc1ccc(cc1OC)N 62a_100000765947_100000070051 [0,2,0,0,0,0|1,0,1]=4 1904 B14R1.461 CC=CCSc1ccc(cc1OC)O 62a_100000070051_100011827694 [0,2,0,0,0,0|1,0,1]=4 1905 B14R1.461 CCCC=Cc1ccc(cc1OC)Br 271570a_100016258520_100010245111 [0,2,0,0,0,0|1,0,1]=4 1906 B14R1.461 CCCC=Cc1ccc(cc1OC)C 271570a_100016258520_100010200004 [0,2,0,0,0,0|1,0,1]=4 1907 B14R1.461 CCCC=Cc1ccc(cc1OC)Cl 271570a_100016258520_100000050115 [0,2,0,0,0,0|1,0,1]=4 1908 B14R1.461 CCCC=Cc1ccc(cc1OC)F 271570a_100016258520_100000757151 [0,2,0,0,0,0|1,0,1]=4 1909 B14R1.461 CCCC=Cc1ccc(cc1OC)N 271570a_100016258520_100000765947 [0,2,0,0,0,0|1,0,1]=4 1910 B14R1.461 CCCC=Cc1ccc(cc1OC)O 271570a_100016258520_100011827694 [0,2,0,0,0,0|1,0,1]=4 1911 B14R1.461 CCOC=Cc1ccc(cc1OC)Br 271570a_100016256518_100010245111 [0,2,0,0,0,0|1,0,1]=4 1912 B14R1.461 CCOC=Cc1ccc(cc1OC)C 271570a_100016256518_100010200004 [0,2,0,0,0,0|1,0,1]=4 1913 B14R1.461 CCOC=Cc1ccc(cc1OC)Cl 271570a_100016256518_100000050115 [0,2,0,0,0,0|1,0,1]=4 1914 B14R1.461 CCOC=Cc1ccc(cc1OC)F 271570a_100016256518_100000757151 [0,2,0,0,0,0|1,0,1]=4 1915 B14R1.461 CCOC=Cc1ccc(cc1OC)N 271570a_100016256518_100000765947 [0,2,0,0,0,0|1,0,1]=4 1916 B14R1.461 CCOC=Cc1ccc(cc1OC)O 271570a_100016256518_100011827694 [0,2,0,0,0,0|1,0,1]=4 1917 B14R1.461 COCC=Cc1ccc(cc1OC)Br 271570a_100016286323_100010245111 [0,2,0,0,0,0|0,0,2]=4 1918 B14R1.461 COCC=Cc1ccc(cc1OC)C 271570a_100016286323_100010200004 [0,2,0,0,0,0|0,0,2]=4 1919 B14R1.461 COCC=Cc1ccc(cc1OC)Cl 271570a_100016286323_100000050115 [0,2,0,0,0,0|0,0,2]=4 1920 B14R1.461 COCC=Cc1ccc(cc1OC)F 271570a_100016286323_100000757151 [0,2,0,0,0,0|0,0,2]=4 1921 B14R1.461 COCC=Cc1ccc(cc1OC)N 271570a_100016286323_100000765947 [0,2,0,0,0,0|0,0,2]=4 1922 B14R1.461 COCC=Cc1ccc(cc1OC)O 271570a_100016286323_100011827694 [0,2,0,0,0,0|0,0,2]=4 1923 B14R1.461 COc1cc(ccc1CNCC=O)F 34a_100000062129_200009817547 [0,2,0,0,0,0|0,0,2]=4 1924 B14R1.461 COc1cc(ccc1COCC=O)Br 34a_100011277633_200009817547 [0,2,0,0,0,0|0,0,2]=4 1925 B14R1.461 COc1cc(ccc1COCC=O)Br 7a_100011277633_200015260668 [0,2,0,0,0,0|0,0,2]=4 1926 B14R1.461 COc1cc(ccc1COCC=O)C 34a_200012017176_200009817547 [0,2,0,0,0,0|0,0,2]=4 1927 B14R1.461 COc1cc(ccc1COCC=O)C 7a_200012017176_200015260668 [0,2,0,0,0,0|0,0,2]=4 1928 B14R1.461 COc1cc(ccc1COCC=O)Cl 34a_200011215853_200009817547 [0,2,0,0,0,0|0,0,2]=4 1929 B14R1.461 COc1cc(ccc1COCC=O)Cl 7a_200011215853_200015260668 [0,2,0,0,0,0|0,0,2]=4 1930 B14R1.461 COc1cc(ccc1COCC=O)F 34a_100000117171_200009817547 [0,2,0,0,0,0|0,0,2]=4 1931 B14R1.461 COc1cc(ccc1COCC=O)F 7a_100000117171_200015260668 [0,2,0,0,0,0|0,0,2]=4 1932 B14R1.461 COc1cc(ccc1COCC=O)I 34a_100010233823_200009817547 [0,2,0,0,0,0|0,0,2]=4 1933 B14R1.461 COc1cc(ccc1COCC=O)I 7a_100010233823_200015260668 [0,2,0,0,0,0|0,0,2]=4 1934 B14R1.461 COc1cc(ccc1COCC=O)N 34a_100012183141_200009817547 [0,2,0,0,0,0|0,0,2]=4 1935 B14R1.461 COc1cc(ccc1CSCC=O)Br 62a_100012359436_200015260668 [0,2,0,0,0,0|0,0,2]=4 1936 B14R1.461 COc1cc(ccc1CSCC=O)Br 62a_200015260668_100012359436 [0,2,0,0,0,0|0,0,2]=4 1937 B14R1.461 COc1cc(ccc1CSCC=O)F 62a_200010171551_200015260668 [0,2,0,0,0,0|0,0,2]=4 1938 B14R1.461 COc1cc(ccc1CSCC=O)F 62a_200015260668_200010171551 [0,2,0,0,0,0|0,0,2]=4 1939 B14R1.1354 CCOc1cc(ccc1NCC=O)Br 2230a_100000688918_200015260668 [0,2,0,0,0,0|1,0,1]=4 1940 B14R1.1354 CCOc1cc(ccc1NCC=O)Br 34a_100000688918_200009817547 [0,2,0,0,0,0|1,0,1]=4 1941 B14R1.1354 CCOc1cc(ccc1NCC=O)C 2230a_100000742043_200015260668 [0,2,0,0,0,0|1,0,1]=4 1942 B14R1.1354 CCOc1cc(ccc1NCC=O)C 34a_100000742043_200009817547 [0,2,0,0,0,0|1,0,1]=4 1943 B14R1.1354 CCOc1cc(ccc1NCC=O)Cl 34a_100000687649_200009817547 [0,2,0,0,0,0|1,0,1]=4 1944 B14R1.1354 CCOc1cc(ccc1NCC=O)F 2230a_100000741351_200015260668 [0,2,0,0,0,0|1,0,1]=4 1945 B14R1.1354 CCOc1cc(ccc1NCC=O)F 34a_100000741351_200009817547 [0,2,0,0,0,0|1,0,1]=4 1946 B14R1.1354 CCOc1cc(ccc1OCC=O)C 34a_200000034294_200009817547 [0,2,0,0,0,0|1,0,1]=4 1947 B14R1.1354 CCOc1cc(ccc1OCC=O)C 7a_200000034294_200015260668 [0,2,0,0,0,0|1,0,1]=4 1948 B14R1.1354 CCOc1cc(ccc1SCC=O)C 62a_200010713166_200015260668 [0,2,0,0,0,0|1,0,1]=4 1949 B14R1.1354 CCOc1cc(ccc1SCC=O)C 62a_200015260668_200010713166 [0,2,0,0,0,0|1,0,1]=4 1950 B14R1.1354 CCOc1cc(ccc1SCC=O)F 62a_200012340411_200015260668 [0,2,0,0,0,0|1,0,1]=4 1951 B14R1.1354 CCOc1cc(ccc1SCC=O)F 62a_200015260668_200012340411 [0,2,0,0,0,0|1,0,1]=4 1952 B14R1.1354 CCOc1cc(ccc1SCC=O)N 62a_200015260668_200016990551 [0,2,0,0,0,0|1,0,1]=4 1953 B14R1.1354 CCOc1cc(ccc1SCC=O)N 62a_200016990551_200015260668 [0,2,0,0,0,0|1,0,1]=4 1954 B14R1.1354 COCc1cc(ccc1OCC=O)F 34a_100135391359_200009817547 [0,2,0,0,0,0|1,0,1]=4 1955 B14R1.1354 COCc1cc(ccc1OCC=O)F 7a_100135391359_200015260668 [0,2,0,0,0,0|1,0,1]=4 1956 B14R1.1355 C=Cc1ccc(c(c1)OC)OCC=O 34a_100011217988_200009817547 [0,2,0,0,0,0|1,0,1]=4 1957 B14R1.1355 CCc1ccc(c(c1)OC)OCC=O 34a_100000186467_200009817547 [0,2,0,0,0,0|1,0,1]=4 1958 B14R1.1355 CCc1ccc(c(c1)OC)OCC=O 7a_100000186467_200015260668 [0,2,0,0,0,0|1,0,1]=4 1959 B14R1.1355 CCc1ccc(c(c1)OC)SCC=O 62a_200010710389_200015260668 [0,2,0,0,0,0|1,0,1]=4 1960 B14R1.1355 CCc1ccc(c(c1)OC)SCC=O 62a_200015260668_200010710389 [0,2,0,0,0,0|1,0,1]=4 1961 B14R1.1355 COc1cc(ccc1NCC=O)C#N 34a_100000701993_200009817547 [0,2,0,0,0,0|1,0,1]=4 1962 B14R1.1355 COc1cc(ccc1NCC=O)CO 2230a_100000087641_200015260668 [0,2,0,0,0,0|1,0,1]=4 1963 B14R1.1355 COc1cc(ccc1NCC=O)CO 34a_100000087641_200009817547 [0,2,0,0,0,0|1,0,1]=4 1964 B14R1.1355 COc1cc(ccc1NCC=O)SC 2230a_100000766855_200015260668 [0,2,0,0,0,0|1,0,1]=4 1965 B14R1.1355 COc1cc(ccc1NCC=O)SC 34a_100000766855_200009817547 [0,2,0,0,0,0|1,0,1]=4 1966 B14R1.1355 COc1cc(ccc1OCC=O)C#N 34a_100000184589_200009817547 [0,2,0,0,0,0|1,0,1]=4 1967 B14R1.1355 COc1cc(ccc1OCC=O)C#N 7a_100000184589_200015260668 [0,2,0,0,0,0|1,0,1]=4 1968 B14R1.1355 COc1cc(ccc1OCC=O)CN 34a_100000185554_200009817547 [0,2,0,0,0,0|1,0,1]=4 1969 B14R1.1355 COc1cc(ccc1SCC=O)C#N 62a_200015260668_100012356288 [0,2,0,0,0,0|1,0,1]=4 1970 B14R1.1355 COc1cc(ccc1SCC=O)C=O 62a_100010244714_200015260668 [0,2,0,0,0,0|1,0,1]=4 1971 B14R1.1355 COc1cc(ccc1SCC=O)C=O 62a_200015260668_100010244714 [0,2,0,0,0,0|1,0,1]=4 1972 B14R1.1355 COc1cc(ccc1SCC=O)CO 62a_100010234685_200015260668 [0,2,0,0,0,0|1,0,1]=4 1973 B14R1.1355 COc1cc(ccc1SCC=O)CO 62a_200015260668_100010234685 [0,2,0,0,0,0|1,0,1]=4 1974 B14R1.1355 COc1ccc(c(c1)OC)NCC=O 2230a_100000211191_200015260668 [0,2,0,0,0,0|1,0,1]=4 1975 B14R1.1355 COc1ccc(c(c1)OC)NCC=O 34a_100000211191_200009817547 [0,2,0,0,0,0|1,0,1]=4 1976 B14R1.1355 COc1ccc(c(c1)OC)OCC=O 34a_100009840267_200009817547 [0,2,0,0,0,0|1,0,1]=4 1977 B14R1.1355 COc1ccc(c(c1)OC)SCC=O 62a_100000750026_200015260668 [0,2,0,0,0,0|1,0,1]=4 1978 B14R1.1355 COc1ccc(c(c1)OC)SCC=O 62a_200015260668_100000750026 [0,2,0,0,0,0|1,0,1]=4 1979 B14R1.1360 COc1c(ccc(c1Br)F)NCC=O 2230a_102516457224_200015260668 [0,2,0,0,0,0|1,0,1]=4 1980 B14R1.1360 COc1c(ccc(c1Br)F)NCC=O 34a_102516457224_200009817547 [0,2,0,0,0,0|1,0,1]=4 1981 B14R1.1360 COc1c(ccc(c1F)Br)NCC=O 2230a_100010734149_200015260668 [0,2,0,0,0,0|1,0,1]=4 1982 B14R1.1360 COc1c(ccc(c1F)Br)NCC=O 34a_100010734149_200009817547 [0,2,0,0,0,0|1,0,1]=4 1983 B14R1.1360 COc1c(ccc(c1F)C)SCC=O 62a_100010081143_200015260668 [0,2,0,0,0,0|1,0,1]=4 1984 B14R1.1360 COc1c(ccc(c1F)C)SCC=O 62a_200015260668_100010081143 [0,2,0,0,0,0|1,0,1]=4 1985 B14R1.1360 COc1c(ccc(c1F)F)NCC=O 2230a_100011695293_200015260668 [0,2,0,0,0,0|1,0,1]=4 1986 B14R1.1360 COc1c(ccc(c1F)F)NCC=O 34a_100011695293_200009817547 [0,2,0,0,0,0|1,0,1]=4 1987 B14R1.1360 COc1c(ccc(c1F)F)SCC=O 62a_100010223324_200015260668 [0,2,0,0,0,0|1,0,1]=4 1988 B14R1.1360 COc1c(ccc(c1F)F)SCC=O 62a_200015260668_100010223324 [0,2,0,0,0,0|1,0,1]=4 1989 B14R1.1360 COc1c(ccc(c1O)F)SCC=O 62a_200015260668_200010167157 [0,2,0,0,0,0|1,0,1]=4 1990 B14R1.1600 COc1cc(ccc1C=CC(C)C)Br 271570a_100016257149_100010245111 [0,2,0,0,0,0|1,0,1]=4 1991 B14R1.1600 COc1cc(ccc1C=CC(C)C)C 271570a_100016257149_100010200004 [0,2,0,0,0,0|1,0,1]=4 1992 B14R1.1600 COc1cc(ccc1C=CC(C)C)Cl 271570a_100016257149_100000050115 [0,2,0,0,0,0|1,0,1]=4 1993 B14R1.1600 COc1cc(ccc1C=CC(C)C)F 271570a_100016257149_100000757151 [0,2,0,0,0,0|1,0,1]=4 1994 B14R1.1600 COc1cc(ccc1C=CC(C)C)N 271570a_100016257149_100000765947 [0,2,0,0,0,0|1,0,1]=4 1995 B14R1.1600 COc1cc(ccc1C=CC(C)C)O 271570a_100016257149_100011827694 [0,2,0,0,0,0|1,0,1]=4 1996 B14R1.1600 COc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100010245111 [0,2,0,0,0,0|0,0,2]=4 1997 B14R1.1600 COc1cc(ccc1C=CC(C)O)C 271570a_200011019289_100010200004 [0,2,0,0,0,0|0,0,2]=4 1998 B14R1.1600 COc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100000050115 [0,2,0,0,0,0|0,0,2]=4 1999 B14R1.1600 COc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100000757151 [0,2,0,0,0,0|0,0,2]=4 2000 B14R1.1600 COc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000765947 [0,2,0,0,0,0|0,0,2]=4 2001 B14R1.1600 COc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100011827694 [0,2,0,0,0,0|0,0,2]=4 2002 B14R1.1600 COc1cc(ccc1CCC(=O)C)Br 1458a_100000699604_200000210301 [0,2,0,0,0,0|0,0,2]=4 2003 B14R1.1600 COc1cc(ccc1CCC(=O)[13CH3])Br 1458a_100000699604_200025704644 [0,2,0,0,0,0|0,0,2]=4 2004 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 11a_100000062129_100015343762 [0,2,0,0,0,0|1,0,1]=4 2005 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 1626a_100000062129_100015343762 [0,2,0,0,0,0|1,0,1]=4 2006 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 240690a_100000062129_100015343762 [0,2,0,0,0,0|1,0,1]=4 2007 B14R1.1600 COc1cc(ccc1CNC(=O)C)F 527a_100000062129_100103153847 [0,2,0,0,0,0|1,0,1]=4 2008 B14R1.1600 COc1cc(ccc1NCC(=O)N)Br 34a_100011279103_100000187820 [0,2,0,0,0,0|1,0,1]=4 2009 B14R1.1600 COc1cc(ccc1NCC(=O)N)C 2230a_100000746441_100000747473 [0,2,0,0,0,0|1,0,1]=4 2010 B14R1.1600 COc1cc(ccc1NCC(=O)N)C 34a_100000746441_100000187820 [0,2,0,0,0,0|1,0,1]=4 2011 B14R1.1600 COc1cc(ccc1NCC(=O)N)Cl 34a_100000707585_100000187820 [0,2,0,0,0,0|1,0,1]=4 2012 B14R1.1600 COc1cc(ccc1NCC(=O)N)F 34a_100000737216_100000187820 [0,2,0,0,0,0|1,0,1]=4 2013 B14R1.1600 COc1cc(ccc1NCC(=O)N)I 34a_100015196925_100000187820 [0,2,0,0,0,0|1,0,1]=4 2014 B14R1.1600 COc1cc(ccc1NCC(=O)N)O 34a_100015326901_100000187820 [0,2,0,0,0,0|1,0,1]=4 2015 B14R1.1600 COc1cc(ccc1NCC(=O)[O-])Br 34a_100011279103_100020667443 [0,2,0,0,0,0|1,0,1]=4 2016 B14R1.1600 COc1cc(ccc1NCC(=O)[O-])C 34a_100000746441_100020667443 [0,2,0,0,0,0|1,0,1]=4 2017 B14R1.1600 COc1cc(ccc1NCC(=O)[O-])Cl 34a_100000707585_100020667443 [0,2,0,0,0,0|1,0,1]=4 2018 B14R1.1600 COc1cc(ccc1NCC(=O)[O-])F 34a_100000737216_100020667443 [0,2,0,0,0,0|1,0,1]=4 2019 B14R1.1600 COc1cc(ccc1NCC(=O)[O-])I 34a_100015196925_100020667443 [0,2,0,0,0,0|1,0,1]=4 2020 B14R1.1600 COc1cc(ccc1NCC(=O)[O-])O 34a_100015326901_100020667443 [0,2,0,0,0,0|1,0,1]=4 2021 B14R1.1600 COc1cc(ccc1NNC(=O)C)Cl 22a_100103168642_100000070787 [0,2,0,0,0,0|2,0,0]=4 2022 B14R1.1600 COc1cc(ccc1OCC(=O)C)C 1458a_100000183895_200000210301 [0,2,0,0,0,0|1,0,1]=4 2023 B14R1.1600 COc1cc(ccc1OCC(=O)N)Br 34a_100000694246_100000187820 [0,2,0,0,0,0|1,0,1]=4 2024 B14R1.1600 COc1cc(ccc1OCC(=O)N)Br 7a_100000694246_100000187820 [0,2,0,0,0,0|1,0,1]=4 2025 B14R1.1600 COc1cc(ccc1OCC(=O)N)C 34a_100000186466_100000187820 [0,2,0,0,0,0|1,0,1]=4 2026 B14R1.1600 COc1cc(ccc1OCC(=O)N)Cl 34a_100000033002_100000187820 [0,2,0,0,0,0|1,0,1]=4 2027 B14R1.1600 COc1cc(ccc1OCC(=O)N)F 34a_100000036057_100000187820 [0,2,0,0,0,0|1,0,1]=4 2028 B14R1.1600 COc1cc(ccc1OCC(=O)N)F 7a_100000036057_100000187820 [0,2,0,0,0,0|1,0,1]=4 2029 B14R1.1600 COc1cc(ccc1OCC(=O)N)I 34a_100000049635_100000187820 [0,2,0,0,0,0|1,0,1]=4 2030 B14R1.1600 COc1cc(ccc1OCC(=O)N)N 34a_100000726020_100000187820 [0,2,0,0,0,0|1,0,1]=4 2031 B14R1.1600 COc1cc(ccc1OCC(=O)[13CH3])C 1458a_100000183895_200025704644 [0,2,0,0,0,0|1,0,1]=4 2032 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])Br 34a_100000694246_100020667443 [0,2,0,0,0,0|1,0,1]=4 2033 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])C 34a_100000186466_100020667443 [0,2,0,0,0,0|1,0,1]=4 2034 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])Cl 34a_100000033002_100020667443 [0,2,0,0,0,0|1,0,1]=4 2035 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])F 34a_100000036057_100020667443 [0,2,0,0,0,0|1,0,1]=4 2036 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])I 34a_100000049635_100020667443 [0,2,0,0,0,0|1,0,1]=4 2037 B14R1.1600 COc1cc(ccc1OCC(=O)[O-])N 34a_100000726020_100020667443 [0,2,0,0,0,0|1,0,1]=4 2038 B14R1.1600 COc1cc(ccc1SCC(=O)N)Br 62a_100000747473_100010245111 [0,2,0,0,0,0|1,0,1]=4 2039 B14R1.1600 COc1cc(ccc1SCC(=O)N)Br 62a_100010245111_100000747473 [0,2,0,0,0,0|1,0,1]=4 2040 B14R1.1600 COc1cc(ccc1SCC(=O)N)C 62a_100000747473_100010200004 [0,2,0,0,0,0|1,0,1]=4 2041 B14R1.1600 COc1cc(ccc1SCC(=O)N)C 62a_100010200004_100000747473 [0,2,0,0,0,0|1,0,1]=4 2042 B14R1.1600 COc1cc(ccc1SCC(=O)N)Cl 62a_100000050115_100000747473 [0,2,0,0,0,0|1,0,1]=4 2043 B14R1.1600 COc1cc(ccc1SCC(=O)N)Cl 62a_100000747473_100000050115 [0,2,0,0,0,0|1,0,1]=4 2044 B14R1.1600 COc1cc(ccc1SCC(=O)N)F 62a_100000747473_100000757151 [0,2,0,0,0,0|1,0,1]=4 2045 B14R1.1600 COc1cc(ccc1SCC(=O)N)F 62a_100000757151_100000747473 [0,2,0,0,0,0|1,0,1]=4 2046 B14R1.1600 COc1cc(ccc1SCC(=O)N)N 62a_100000747473_100000765947 [0,2,0,0,0,0|1,0,1]=4 2047 B14R1.1600 COc1cc(ccc1SCC(=O)N)N 62a_100000765947_100000747473 [0,2,0,0,0,0|1,0,1]=4 2048 B14R1.1600 COc1cc(ccc1SCC(=O)N)O 62a_100000747473_100011827694 [0,2,0,0,0,0|1,0,1]=4 2049 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])Br 62a_100010245111_100020667443 [0,2,0,0,0,0|1,0,1]=4 2050 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])Br 62a_100020667443_100010245111 [0,2,0,0,0,0|1,0,1]=4 2051 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])C 62a_100010200004_100020667443 [0,2,0,0,0,0|1,0,1]=4 2052 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])C 62a_100020667443_100010200004 [0,2,0,0,0,0|1,0,1]=4 2053 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])Cl 62a_100000050115_100020667443 [0,2,0,0,0,0|1,0,1]=4 2054 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])Cl 62a_100020667443_100000050115 [0,2,0,0,0,0|1,0,1]=4 2055 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])F 62a_100000757151_100020667443 [0,2,0,0,0,0|1,0,1]=4 2056 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])F 62a_100020667443_100000757151 [0,2,0,0,0,0|1,0,1]=4 2057 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])N 62a_100000765947_100020667443 [0,2,0,0,0,0|1,0,1]=4 2058 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])N 62a_100020667443_100000765947 [0,2,0,0,0,0|1,0,1]=4 2059 B14R1.1600 COc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100011827694 [0,2,0,0,0,0|1,0,1]=4 2060 B14R1.3417 C=CC(=O)Cc1ccc(cc1OC)Br 1458a_100000185746_100012359436 [0,2,0,0,0,0|1,0,1]=4 2061 B14R1.3417 C=CC(=O)Cc1ccc(cc1OC)F 1458a_100000185746_200010171551 [0,2,0,0,0,0|1,0,1]=4 2062 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Br 1626a_100011279103_100000185746 [0,2,0,0,0,0|2,0,0]=4 2063 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Br 22a_100011279103_100000185746 [0,2,0,0,0,0|2,0,0]=4 2064 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)C 1626a_100000746441_100000185746 [0,2,0,0,0,0|2,0,0]=4 2065 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)C 22a_100000746441_100000185746 [0,2,0,0,0,0|2,0,0]=4 2066 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Cl 1626a_100000707585_100000185746 [0,2,0,0,0,0|2,0,0]=4 2067 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Cl 22a_100000707585_100000185746 [0,2,0,0,0,0|2,0,0]=4 2068 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)F 1626a_100000737216_100000185746 [0,2,0,0,0,0|2,0,0]=4 2069 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)F 22a_100000737216_100000185746 [0,2,0,0,0,0|2,0,0]=4 2070 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)I 1626a_100015196925_100000185746 [0,2,0,0,0,0|2,0,0]=4 2071 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)I 22a_100015196925_100000185746 [0,2,0,0,0,0|2,0,0]=4 2072 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)O 22a_100015326901_100000185746 [0,2,0,0,0,0|2,0,0]=4 2073 B14R1.3417 COc1cc(ccc1C=C(C)C#N)I 6a_100010290300_200000212204 [0,2,0,0,0,0|1,0,1]=4 2074 B14R1.3417 COc1cc(ccc1C=C(F)C#N)I 6a_100010290300_200000032654 [0,2,0,0,0,0|1,0,1]=4 2075 B14R1.4434 COc1cc(c(cc1NCC=O)Br)Cl 2230a_100010380671_200015260668 [0,2,0,0,0,0|1,0,1]=4 2076 B14R1.4434 COc1cc(c(cc1NCC=O)Br)Cl 34a_100010380671_200009817547 [0,2,0,0,0,0|1,0,1]=4 2077 B14R1.4434 COc1cc(c(cc1NCC=O)Br)F 2230a_100012361397_200015260668 [0,2,0,0,0,0|1,0,1]=4 2078 B14R1.4434 COc1cc(c(cc1NCC=O)Br)F 34a_100012361397_200009817547 [0,2,0,0,0,0|1,0,1]=4 2079 B14R1.4434 COc1cc(c(cc1NCC=O)Br)F 7a_100012361397_200015260668 [0,2,0,0,0,0|1,0,1]=4 2080 B14R1.4434 COc1cc(c(cc1NCC=O)C)Br 2230a_100010141321_200015260668 [0,2,0,0,0,0|1,0,1]=4 2081 B14R1.4434 COc1cc(c(cc1NCC=O)C)Br 34a_100010141321_200009817547 [0,2,0,0,0,0|1,0,1]=4 2082 B14R1.4434 COc1cc(c(cc1NCC=O)C)Cl 2230a_100000211396_200015260668 [0,2,0,0,0,0|1,0,1]=4 2083 B14R1.4434 COc1cc(c(cc1NCC=O)C)Cl 34a_100000211396_200009817547 [0,2,0,0,0,0|1,0,1]=4 2084 B14R1.4434 COc1cc(c(cc1NCC=O)Cl)Br 2230a_100010212225_200015260668 [0,2,0,0,0,0|1,0,1]=4 2085 B14R1.4434 COc1cc(c(cc1NCC=O)Cl)Br 34a_100010212225_200009817547 [0,2,0,0,0,0|1,0,1]=4 2086 B14R1.4434 COc1cc(c(cc1NCC=O)Cl)C 2230a_100009868623_200015260668 [0,2,0,0,0,0|1,0,1]=4 2087 B14R1.4434 COc1cc(c(cc1NCC=O)Cl)C 34a_100009868623_200009817547 [0,2,0,0,0,0|1,0,1]=4 2088 B14R1.4434 COc1cc(c(cc1NCC=O)Cl)F 2230a_100012186795_200015260668 [0,2,0,0,0,0|1,0,1]=4 2089 B14R1.4434 COc1cc(c(cc1NCC=O)Cl)F 34a_100012186795_200009817547 [0,2,0,0,0,0|1,0,1]=4 2090 B14R1.4434 COc1cc(c(cc1NCC=O)F)Br 2230a_100012766639_200015260668 [0,2,0,0,0,0|1,0,1]=4 2091 B14R1.4434 COc1cc(c(cc1NCC=O)F)Br 34a_100012766639_200009817547 [0,2,0,0,0,0|1,0,1]=4 2092 B14R1.4434 COc1cc(c(cc1NCC=O)F)F 2230a_100000732608_200015260668 [0,2,0,0,0,0|1,0,1]=4 2093 B14R1.4434 COc1cc(c(cc1NCC=O)F)F 34a_100000732608_200009817547 [0,2,0,0,0,0|1,0,1]=4 2094 B14R1.4434 COc1cc(c(cc1NCC=O)F)F 7a_100000732608_200015260668 [0,2,0,0,0,0|1,0,1]=4 2095 B14R1.4434 COc1cc(c(cc1NCC=O)I)Cl 34a_100011011177_200009817547 [0,2,0,0,0,0|1,0,1]=4 2096 B14R1.4434 COc1cc(c(cc1OCC=O)F)Br 34a_100010189133_200009817547 [0,2,0,0,0,0|1,0,1]=4 2097 B14R1.4434 COc1cc(c(cc1OCC=O)F)Br 7a_100010189133_200015260668 [0,2,0,0,0,0|1,0,1]=4 2098 B14R1.4434 COc1cc(c(cc1SCC=O)C)F 62a_100010201977_200015260668 [0,2,0,0,0,0|1,0,1]=4 2099 B14R1.4434 COc1cc(c(cc1SCC=O)C)F 62a_200015260668_100010201977 [0,2,0,0,0,0|1,0,1]=4 2100 B14R1.4434 COc1cc(c(cc1SCC=O)C)N 62a_100010232211_200015260668 [0,2,0,0,0,0|1,0,1]=4 2101 B14R1.4434 COc1cc(c(cc1SCC=O)C)N 62a_200015260668_100010232211 [0,2,0,0,0,0|1,0,1]=4 2102 B14R1.4434 COc1cc(c(cc1SCC=O)F)F 62a_100009813744_200015260668 [0,2,0,0,0,0|1,0,1]=4 2103 B14R1.4434 COc1cc(c(cc1SCC=O)F)F 62a_200015260668_100009813744 [0,2,0,0,0,0|1,0,1]=4 2104 B14R1.4434 COc1cc(c(cc1SCC=O)N)C 62a_106657271712_200015260668 [0,2,0,0,0,0|1,0,1]=4 2105 B14R1.4434 COc1cc(c(cc1SCC=O)N)C 62a_200015260668_106657271712 [0,2,0,0,0,0|1,0,1]=4 2106 B14R1.4434 COc1cc(c(cc1SCC=O)N)N 62a_100012769537_200015260668 [0,2,0,0,0,0|1,0,1]=4 2107 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210623 [0,2,0,0,0,0|1,0,1]=4 2108 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210623 [0,2,0,0,0,0|1,0,1]=4 2109 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210623 [0,2,0,0,0,0|1,0,1]=4 2110 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210623 [0,2,0,0,0,0|1,0,1]=4 2111 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210623 [0,2,0,0,0,0|1,0,1]=4 2112 B14R1.7233 COc1cc(ccc1N(C)CC=O)Cl 2230a_100000061351_200015260668 [0,2,0,0,0,0|1,0,1]=4 2113 B14R1.7233 COc1cc(ccc1N(C)CC=O)Cl 269982a_100000061351_200015260668 [0,2,0,0,0,0|1,0,1]=4 2114 B14R1.7233 COc1cc(ccc1N(C)CC=O)Cl 34a_100000061351_200009817547 [0,2,0,0,0,0|1,0,1]=4 2115 B14R1.7233 COc1cc(ccc1N(C)CC=O)F 2230a_100020633920_200015260668 [0,2,0,0,0,0|1,0,1]=4 2116 B14R1.7233 COc1cc(ccc1N(C)CC=O)F 269982a_100020633920_200015260668 [0,2,0,0,0,0|1,0,1]=4 2117 B14R1.7233 COc1cc(ccc1N(C)CC=O)F 34a_100020633920_200009817547 [0,2,0,0,0,0|1,0,1]=4 2118 B14R1.7406 COc1cc(cc(c1NCC=O)Br)Br 34a_100010253907_200009817547 [0,2,0,0,0,0|1,0,1]=4 2119 B14R1.7406 COc1cc(cc(c1NCC=O)Br)Cl 34a_200010138668_200009817547 [0,2,0,0,0,0|1,0,1]=4 2120 B14R1.7406 COc1cc(cc(c1NCC=O)Br)F 34a_100011004115_200009817547 [0,2,0,0,0,0|1,0,1]=4 2121 B14R1.7406 COc1cc(cc(c1NCC=O)C)Br 34a_100000741850_200009817547 [0,2,0,0,0,0|1,0,1]=4 2122 B14R1.7406 COc1cc(cc(c1NCC=O)Cl)Cl 34a_100009955935_200009817547 [0,2,0,0,0,0|1,0,1]=4 2123 B14R1.7406 COc1cc(cc(c1OCC=O)Br)F 34a_200010391102_200009817547 [0,2,0,0,0,0|1,0,1]=4 2124 B14R1.7406 COc1cc(cc(c1OCC=O)Br)F 7a_200010391102_200015260668 [0,2,0,0,0,0|1,0,1]=4 2125 B14R1.7406 COc1cc(cc(c1SCC=O)Br)Cl 62a_100025705407_200015260668 [0,2,0,0,0,0|1,0,1]=4 2126 B14R1.7406 COc1cc(cc(c1SCC=O)Br)Cl 62a_200015260668_100025705407 [0,2,0,0,0,0|1,0,1]=4 2127 B14R1.7406 COc1cc(cc(c1SCC=O)Cl)Cl 62a_100010292537_200015260668 [0,2,0,0,0,0|1,0,1]=4 2128 B14R1.7406 COc1cc(cc(c1SCC=O)Cl)Cl 62a_200015260668_100010292537 [0,2,0,0,0,0|1,0,1]=4 2129 B14R1.7406 COc1cc(cc(c1SCC=O)F)Br 62a_100010713143_200015260668 [0,2,0,0,0,0|1,0,1]=4 2130 B14R1.7406 COc1cc(cc(c1SCC=O)F)Br 62a_200015260668_100010713143 [0,2,0,0,0,0|1,0,1]=4 2131 B14R1.96 C=C(C)C=NNc1ccccc1OC 4a_100000751209_100000210575 [0,2,0,0,0,0|2,0,0]=4 2132 B14R1.96 CCc1ccccc1C=NNC(=O)C 4a_100000189765_100011219594 [0,2,0,0,0,0|2,0,0]=4 2133 B14R1.96 COc1ccccc1C=CCC(C)C 271570a_100016259101_100000174000 [0,2,0,0,0,0|1,0,1]=4 2134 B14R1.96 COc1ccccc1C=CCN(C)C 270004a_100102631434_100000210733 [0,2,0,0,0,0|1,0,1]=4 2135 B14R1.96 COc1ccccc1C=NNC(=O)C 4a_100000189765_100000169842 [0,2,0,0,0,0|1,0,0]=3 2136 B14R1.96 COc1ccccc1CCNC(=O)C 11a_100000211851_100015343762 [0,2,0,0,0,0|0,0,2]=4 2137 B14R1.96 COc1ccccc1CCNC(=O)C 1626a_100000211851_100015343762 [0,2,0,0,0,0|0,0,2]=4 2138 B14R1.96 COc1ccccc1CCNC(=O)C 240690a_100000211851_100015343762 [0,2,0,0,0,0|0,0,2]=4 2139 B14R1.96 COc1ccccc1CCNC(=O)C 527a_100000211851_100103153847 [0,2,0,0,0,0|0,0,2]=4 2140 B14R1.96 COc1ccccc1CNCC(=O)N 2230a_100000711301_100000210004 [0,2,0,0,0,0|0,0,2]=4 2141 B14R1.96 COc1ccccc1CNCC(=O)N 34a_100000188900_100000187820 [0,2,0,0,0,0|0,0,2]=4 2142 B14R1.96 COc1ccccc1CNCC(=O)O 269956a_100016091260_100000210004 [0,2,0,0,0,0|0,0,2]=4 2143 B14R1.96 COc1ccccc1CNCC(=O)[O-] 34a_100000188900_100020667443 [0,2,0,0,0,0|0,0,2]=4 2144 B14R1.96 COc1ccccc1CNNC(=O)C 22a_100020605366_100000070787 [0,2,0,0,0,0|1,0,1]=4 2145 B14R1.96 COc1ccccc1COCC(=O)C 1458a_100012176948_200000210301 [0,2,0,0,0,0|0,0,2]=4 2146 B14R1.96 COc1ccccc1COCC(=O)C 34a_100000211253_100000210004 [0,2,0,0,0,0|0,0,2]=4 2147 B14R1.96 COc1ccccc1COCC(=O)N 34a_100000211301_100000187820 [0,2,0,0,0,0|0,0,2]=4 2148 B14R1.96 COc1ccccc1COCC(=O)[13CH3] 1458a_100012176948_200025704644 [0,2,0,0,0,0|0,0,2]=4 2149 B14R1.96 COc1ccccc1COCC(=O)[O-] 34a_100000211301_100020667443 [0,2,0,0,0,0|0,0,2]=4 2150 B14R1.96 COc1ccccc1CSCC(=O)N 62a_100000210004_100000747473 [0,2,0,0,0,0|0,0,2]=4 2151 B14R1.96 COc1ccccc1CSCC(=O)N 62a_100000747473_100000210004 [0,2,0,0,0,0|0,0,2]=4 2152 B14R1.96 COc1ccccc1CSCC(=O)[O-] 62a_100000210004_100020667443 [0,2,0,0,0,0|0,0,2]=4 2153 B14R1.96 COc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000210004 [0,2,0,0,0,0|0,0,2]=4 2154 B14R1.96 COc1ccccc1NCC=C(C)C 34a_100000210025_100000761012 [0,2,0,0,0,0|1,0,1]=4 2155 B14R1.96 COc1ccccc1NCCC(=O)N 34a_100000210025_100000731001 [0,2,0,0,0,0|0,0,2]=4 2156 B14R1.96 COc1ccccc1NCOC(=O)C 34a_100000210025_100009813279 [0,2,0,0,0,0|1,0,1]=4 2157 B14R1.96 COc1ccccc1OCC=C(C)C 34a_100000210385_100000761012 [0,2,0,0,0,0|1,0,1]=4 2158 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000070787_100000188471 [0,2,0,0,0,0|0,0,2]=4 2159 B14R1.96 COc1ccccc1OCCC(=O)C 1458a_100000182669_200000210301 [0,2,0,0,0,0|0,0,2]=4 2160 B14R1.96 COc1ccccc1OCCC(=O)N 34a_100000210385_100000731001 [0,2,0,0,0,0|0,0,2]=4 2161 B14R1.96 COc1ccccc1OCCC(=O)[13CH3] 1458a_100000182669_200025704644 [0,2,0,0,0,0|0,0,2]=4 2162 B14R1.96 COc1ccccc1OCOC(=O)C 34a_100000210385_100009813279 [0,2,0,0,0,0|1,0,1]=4 2163 B14R1.96 COc1ccccc1SCC=C(C)C 62a_100000210334_100000761012 [0,2,0,0,0,0|1,0,1]=4 2164 B14R1.96 COc1ccccc1SCC=C(C)C 62a_100000761012_100000210334 [0,2,0,0,0,0|1,0,1]=4 2165 B14R1.96 COc1ccccc1SCCC(=O)C 62a_100000053229_100000210334 [0,2,0,0,0,0|0,0,2]=4 2166 B14R1.96 COc1ccccc1SCCC(=O)C 62a_100000210334_100000053229 [0,2,0,0,0,0|0,0,2]=4 2167 B14R1.96 COc1ccccc1SCCC(=O)N 62a_100000210334_100000744528 [0,2,0,0,0,0|0,0,2]=4 2168 B14R1.96 COc1ccccc1SCCC(=O)N 62a_100000744528_100000210334 [0,2,0,0,0,0|0,0,2]=4 2169 B14R1.96 COc1ccccc1SCOC(=O)C 62a_100000076356_100000210334 [0,2,0,0,0,0|1,0,1]=4 2170 B14R1.96 COc1ccccc1SCOC(=O)C 62a_100000210334_100000076356 [0,2,0,0,0,0|1,0,1]=4 2171 B14R1.96 COc1cccnc1C=NNC(=O)C 4a_100000189765_100011912573 [0,2,0,0,0,0|2,0,0]=4 2172 B14R1.96 COc1ccncc1C=NNC(=O)C 4a_100000189765_200011997045 [0,2,0,0,0,0|2,0,0]=4 2173 B14R1.96 COc1cnccc1C=NNC(=O)C 4a_100000189765_100011361505 [0,2,0,0,0,0|2,0,0]=4 2174 B14R1.96 COc1ncccc1C=NNC(=O)C 4a_100000189765_100011290804 [0,2,0,0,0,0|2,0,0]=4 2175 B14R1.96 CSc1ccccc1C=NNC(=O)C 4a_100000189765_100011217347 [0,2,0,0,0,0|1,1,0]=4 2176 B14R1.476 C/C=C/CNCc1ccccc1OC 34a_100000188900_100102629194 [0,2,0,0,0,0|1,0,1]=4 2177 B14R1.476 C/C=C/COCc1ccccc1OC 34a_100000211301_100102629194 [0,2,0,0,0,0|1,0,1]=4 2178 B14R1.476 C/C=C/COCc1ccccc1OC 34a_100016270725_100000210004 [0,2,0,0,0,0|1,0,1]=4 2179 B14R1.476 C/C=C/CSCc1ccccc1OC 62a_100000210004_100102629194 [0,2,0,0,0,0|1,0,1]=4 2180 B14R1.476 C/C=C/CSCc1ccccc1OC 62a_100102629194_100000210004 [0,2,0,0,0,0|1,0,1]=4 2181 B14R1.476 CC/C=C\CNc1ccccc1OC 34a_100000210025_100103147603 [0,2,0,0,0,0|1,0,1]=4 2182 B14R1.476 CC/C=C\COc1ccccc1OC 34a_100000210385_100103147603 [0,2,0,0,0,0|1,0,1]=4 2183 B14R1.476 CC/C=C\CSc1ccccc1OC 62a_100000210334_100103147603 [0,2,0,0,0,0|1,0,1]=4 2184 B14R1.476 CC/C=C\CSc1ccccc1OC 62a_100103147603_100000210334 [0,2,0,0,0,0|1,0,1]=4 2185 B14R1.476 CC=CCNCc1ccccc1OC 34a_100000188900_100000070051 [0,2,0,0,0,0|1,0,1]=4 2186 B14R1.476 CC=CCOCc1ccccc1OC 34a_100000211301_100000070051 [0,2,0,0,0,0|1,0,1]=4 2187 B14R1.476 CC=CCSCc1ccccc1OC 62a_100000070051_100000210004 [0,2,0,0,0,0|1,0,1]=4 2188 B14R1.476 CC=CCSCc1ccccc1OC 62a_100000210004_100000070051 [0,2,0,0,0,0|1,0,1]=4 2189 B14R1.476 CCCCC=Cc1ccccc1OC 271570a_100016275911_100000174000 [0,2,0,0,0,0|1,0,1]=4 2190 B14R1.476 CCNCC=Cc1ccccc1OC 270004a_100015525214_100000210733 [0,2,0,0,0,0|1,0,1]=4 2191 B14R1.476 COc1ccccc1CCNCC=O 2230a_100000211851_200015260668 [0,2,0,0,0,0|0,0,2]=4 2192 B14R1.476 COc1ccccc1CCNCC=O 34a_100000211851_200009817547 [0,2,0,0,0,0|0,0,2]=4 2193 B14R1.476 COc1ccccc1CCOCC=O 34a_100011218620_200009817547 [0,2,0,0,0,0|0,0,2]=4 2194 B14R1.476 COc1ccccc1CCOCC=O 7a_100011218620_200015260668 [0,2,0,0,0,0|0,0,2]=4 2195 B14R1.476 COc1ccccc1CCSCC=O 62a_100011713687_200015260668 [0,2,0,0,0,0|0,0,2]=4 2196 B14R1.476 COc1ccccc1CCSCC=O 62a_200015260668_100011713687 [0,2,0,0,0,0|0,0,2]=4 2197 B14R1.476 COc1ccccc1SCCCC=O 62a_100000210334_200011292268 [0,2,0,0,0,0|0,0,2]=4 2198 B14R1.476 COc1ccccc1SCCCC=O 62a_200011292268_100000210334 [0,2,0,0,0,0|0,0,2]=4 2199 B14R1.863 C#CC(=O)CCc1ccccc1OC 1458a_100000211873_100011713687 [0,2,0,0,0,0|0,0,2]=4 2200 B14R1.863 C=CC(=NNc1ccccc1OC)C 4a_100000751209_200015361842 [0,2,0,0,0,0|2,0,0]=4 2201 B14R1.863 C=CC(=O)CCc1ccccc1OC 1458a_100000185746_100011713687 [0,2,0,0,0,0|0,0,2]=4 2202 B14R1.863 C=CC(=O)NCc1ccccc1OC 1626a_100000188900_100000185746 [0,2,0,0,0,0|1,0,1]=4 2203 B14R1.863 C=CC(=O)NCc1ccccc1OC 240690a_100000188900_200121576911 [0,2,0,0,0,0|1,0,1]=4 2204 B14R1.863 C=CC(=O)NNc1ccccc1OC 22a_100000751209_100000185746 [0,2,0,0,0,0|2,0,0]=4 2205 B14R1.863 C=Cc1ccccc1/C=C/C(=O)OC 271570a_100011290941_100000151022 [0,2,0,0,0,0|1,0,1]=4 2206 B14R1.863 CCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210202 [0,2,0,0,0,0|2,0,0]=4 2207 B14R1.863 CCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210202 [0,2,0,0,0,0|0,0,0]=2 2208 B14R1.863 CCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210202 [0,2,0,0,0,0|1,0,0]=3 2209 B14R1.863 CCC(=O)CCc1ccccc1OC 1458a_100000184355_100000210202 [0,2,0,0,0,0|0,0,2]=4 2210 B14R1.863 CCC(=O)CCc1ccccc1OC 1458a_100000210414_100011713687 [0,2,0,0,0,0|0,0,2]=4 2211 B14R1.863 CCC(=O)COc1ccccc1OC 1458a_100000182946_100000210202 [0,2,0,0,0,0|1,0,1]=4 2212 B14R1.863 CCC(=O)CSc1ccccc1OC 62a_100000210334_100000747405 [0,2,0,0,0,0|1,0,1]=4 2213 B14R1.863 CCC(=O)CSc1ccccc1OC 62a_100000747405_100000210334 [0,2,0,0,0,0|1,0,1]=4 2214 B14R1.863 CCC(=O)NCc1ccccc1OC 11a_100000188900_100000210414 [0,2,0,0,0,0|1,0,1]=4 2215 B14R1.863 CCC(=O)NCc1ccccc1OC 1626a_100000188900_100000210414 [0,2,0,0,0,0|1,0,1]=4 2216 B14R1.863 CCC(=O)NCc1ccccc1OC 240690a_100000188900_100000210414 [0,2,0,0,0,0|1,0,1]=4 2217 B14R1.863 CCC(=O)NCc1ccccc1OC 527a_100000188900_100000210414 [0,2,0,0,0,0|1,0,1]=4 2218 B14R1.863 CCC(=O)NNc1ccccc1OC 22a_100000751209_100000210414 [0,2,0,0,0,0|2,0,0]=4 2219 B14R1.863 CNC(=O)C=Cc1ccccc1C#N 11a_106832991635_100016294624 [0,2,0,0,0,0|2,0,0]=4 2220 B14R1.863 CNC(=O)C=Cc1ccccc1OC 11a_106832991635_100000182468 [0,2,0,0,0,0|0,0,0]=2 2221 B14R1.863 CNC(=O)C=Cc1ccccc1OC 1626a_100102657272_100000182468 [0,2,0,0,0,0|0,0,0]=2 2222 B14R1.863 CNC(=O)C=Cc1cccnc1OC 11a_106832991635_100102601226 [0,2,0,0,0,0|1,0,0]=3 2223 B14R1.863 CNC(=O)C=Cc1cccnc1OC 1626a_100102657272_100102601226 [0,2,0,0,0,0|1,0,0]=3 2224 B14R1.863 CNC(=O)CCc1ccccc1OC 11a_106832991635_100000184355 [0,2,0,0,0,0|0,0,2]=4 2225 B14R1.863 CNC(=O)CCc1ccccc1OC 1626a_100102657272_100000184355 [0,2,0,0,0,0|0,0,2]=4 2226 B14R1.863 CNC(=O)CCc1ccccc1OC 240690a_100102657272_100000184355 [0,2,0,0,0,0|0,0,2]=4 2227 B14R1.863 CNC(=O)CCc1ccccc1OC 527a_100102657272_100000184355 [0,2,0,0,0,0|0,0,2]=4 2228 B14R1.863 CNC(=O)CNc1ccccc1OC 34a_100000210025_100000183359 [0,2,0,0,0,0|1,0,1]=4 2229 B14R1.863 CNC(=O)COc1ccccc1OC 11a_106832991635_100000182946 [0,2,0,0,0,0|1,0,1]=4 2230 B14R1.863 CNC(=O)COc1ccccc1OC 1626a_100102657272_100000182946 [0,2,0,0,0,0|1,0,1]=4 2231 B14R1.863 CNC(=O)COc1ccccc1OC 240690a_100102657272_100000182946 [0,2,0,0,0,0|1,0,1]=4 2232 B14R1.863 CNC(=O)COc1ccccc1OC 34a_100000210385_100000183359 [0,2,0,0,0,0|1,0,1]=4 2233 B14R1.863 CNC(=O)COc1ccccc1OC 527a_100102657272_100000182946 [0,2,0,0,0,0|1,0,1]=4 2234 B14R1.863 CNC(=O)CSc1ccccc1OC 62a_100000183359_100000210334 [0,2,0,0,0,0|1,0,1]=4 2235 B14R1.863 CNC(=O)CSc1ccccc1OC 62a_100000210334_100000183359 [0,2,0,0,0,0|1,0,1]=4 2236 B14R1.863 CNC(=O)NCc1ccccc1OC 2708a_100000188900_106832991635 [0,2,0,0,0,0|1,0,1]=4 2237 B14R1.863 CNC(=O)NCc1ccccc1OC 2708a_100102657272_100000188900 [0,2,0,0,0,0|1,0,1]=4 2238 B14R1.863 CNC(=O)NCc1ccccc1OC 273464a_100000188900_100102657272 [0,2,0,0,0,0|1,0,1]=4 2239 B14R1.863 CNC(=O)NCc1ccccc1OC 273464a_100102657272_100000188900 [0,2,0,0,0,0|1,0,1]=4 2240 B14R1.863 CNC(=O)NCc1ccccc1OC 512a_100000188900_100102657272 [0,2,0,0,0,0|1,0,1]=4 2241 B14R1.863 CNC(=O)NCc1ccccc1OC 512a_106832991638_100000188900 [0,2,0,0,0,0|1,0,1]=4 2242 B14R1.863 CNC(=O)NNc1ccccc1OC 273464a_100102657272_100000751209 [0,2,0,0,0,0|2,0,0]=4 2243 B14R1.863 CNC(=O)NNc1ccccc1OC 512a_106832991638_100000751209 [0,2,0,0,0,0|2,0,0]=4 2244 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_100000151022_200000210301 [0,2,0,0,0,0|0,1,0]=3 2245 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_200000210301_100000151022 [0,2,0,0,0,0|0,1,0]=3 2246 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_100000151022_200025704644 [0,2,0,0,0,0|0,1,0]=3 2247 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_200025704644_100000151022 [0,2,0,0,0,0|0,1,0]=3 2248 B14R1.863 COC(=O)C=Cc1ccccc1OC 34a_200012823195_200000210301 [0,2,0,0,0,0|0,0,0]=2 2249 B14R1.863 COC(=O)C=Cc1ccccc1O[13CH3] 34a_200012823195_200025704644 [0,2,0,0,0,0|0,0,0]=2 2250 B14R1.863 COC(=O)CCc1ccccc1OC 34a_200000148576_200000210301 [0,2,0,0,0,0|0,0,2]=4 2251 B14R1.863 COC(=O)CCc1ccccc1OC 7a_200000148576_200000210301 [0,2,0,0,0,0|0,0,2]=4 2252 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 34a_200000148576_200025704644 [0,2,0,0,0,0|0,0,2]=4 2253 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 7a_200000148576_200025704644 [0,2,0,0,0,0|0,0,2]=4 2254 B14R1.863 COC(=O)CNc1ccccc1OC 34a_100000210025_100000747449 [0,2,0,0,0,0|1,0,1]=4 2255 B14R1.863 COC(=O)COc1ccccc1OC 34a_100000210385_100000747449 [0,2,0,0,0,0|1,0,1]=4 2256 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000210334_100000747449 [0,2,0,0,0,0|1,0,1]=4 2257 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000747449_100000210334 [0,2,0,0,0,0|1,0,1]=4 2258 B14R1.863 COc1ccccc1C=CC(=O)CF 1458a_100000182468_100015361967 [0,2,0,0,0,0|0,0,0]=2 2259 B14R1.863 COc1ccccc1CCC(=O)CF 1458a_100000184355_100015361967 [0,2,0,0,0,0|0,0,2]=4 2260 B14R1.863 COc1ccccc1CCC(=O)CO 1458a_100000210174_100011713687 [0,2,0,0,0,0|0,0,2]=4 2261 B14R1.863 COc1ccccc1CCC(=O)NN 34a_100000181720_200000210301 [0,2,0,0,0,0|0,0,2]=4 2262 B14R1.863 COc1ccccc1CNC(=O)CO 240690a_100000188900_100000210174 [0,2,0,0,0,0|1,0,1]=4 2263 B14R1.863 COc1ccccc1CNC(=O)CO 527a_100000188900_100000210174 [0,2,0,0,0,0|1,0,1]=4 2264 B14R1.863 COc1ccccc1NNC(=O)CO 22a_100000751209_100000210174 [0,2,0,0,0,0|2,0,0]=4 2265 B14R1.863 COc1ccccc1OCC(=O)CF 1458a_100000182946_100015361967 [0,2,0,0,0,0|1,0,1]=4 2266 B14R1.863 COc1ncccc1C=CC(=O)CF 1458a_100102601226_100015361967 [0,2,0,0,0,0|1,0,0]=3 2267 B14R1.863 N#Cc1ccccc1C=CC(=O)CF 1458a_100016294624_100015361967 [0,2,0,0,0,0|2,0,0]=4 2268 B14R1.863 [13CH3]Oc1ccccc1CCC(=O)NN 34a_100000181720_200025704644 [0,2,0,0,0,0|0,0,2]=4 2269 B14R1.883 C/C=C/CNc1cc(ccc1OC)Br 34a_100000743470_100102629194 [0,2,0,0,0,0|1,0,1]=4 2270 B14R1.883 C/C=C/CNc1cc(ccc1OC)C 34a_100000210980_100102629194 [0,2,0,0,0,0|1,0,1]=4 2271 B14R1.883 C/C=C/CNc1cc(ccc1OC)Cl 34a_100000182114_100102629194 [0,2,0,0,0,0|1,0,1]=4 2272 B14R1.883 C/C=C/CNc1cc(ccc1OC)F 34a_100000757179_100102629194 [0,2,0,0,0,0|1,0,1]=4 2273 B14R1.883 C/C=C/COc1cc(ccc1OC)Br 34a_100009816560_100102629194 [0,2,0,0,0,0|1,0,1]=4 2274 B14R1.883 C/C=C/COc1cc(ccc1OC)Br 7a_100009816560_100102629194 [0,2,0,0,0,0|1,0,1]=4 2275 B14R1.883 C/C=C/COc1cc(ccc1OC)C 34a_100011216497_100102629194 [0,2,0,0,0,0|1,0,1]=4 2276 B14R1.883 C/C=C/COc1cc(ccc1OC)C 7a_100011216497_100102629194 [0,2,0,0,0,0|1,0,1]=4 2277 B14R1.883 C/C=C/COc1cc(ccc1OC)Cl 34a_100000101779_100102629194 [0,2,0,0,0,0|1,0,1]=4 2278 B14R1.883 C/C=C/COc1cc(ccc1OC)Cl 7a_100000101779_100102629194 [0,2,0,0,0,0|1,0,1]=4 2279 B14R1.883 C/C=C/COc1cc(ccc1OC)F 34a_100000034962_100102629194 [0,2,0,0,0,0|1,0,1]=4 2280 B14R1.883 C/C=C/COc1cc(ccc1OC)F 7a_100000034962_100102629194 [0,2,0,0,0,0|1,0,1]=4 2281 B14R1.883 C/C=C/COc1cc(ccc1OC)N 34a_100000211920_100102629194 [0,2,0,0,0,0|1,0,1]=4 2282 B14R1.883 C/C=C/CSc1cc(ccc1OC)Br 62a_100012351588_100102629194 [0,2,0,0,0,0|1,0,1]=4 2283 B14R1.883 C/C=C/CSc1cc(ccc1OC)Br 62a_100102629194_100012351588 [0,2,0,0,0,0|1,0,1]=4 2284 B14R1.883 C/C=C/CSc1cc(ccc1OC)C 62a_100000186399_100102629194 [0,2,0,0,0,0|1,0,1]=4 2285 B14R1.883 C/C=C/CSc1cc(ccc1OC)C 62a_100102629194_100000186399 [0,2,0,0,0,0|1,0,1]=4 2286 B14R1.883 C/C=C/CSc1cc(ccc1OC)Cl 62a_100011215930_100102629194 [0,2,0,0,0,0|1,0,1]=4 2287 B14R1.883 C/C=C/CSc1cc(ccc1OC)Cl 62a_100102629194_100011215930 [0,2,0,0,0,0|1,0,1]=4 2288 B14R1.883 C/C=C/CSc1cc(ccc1OC)F 62a_100000171694_100102629194 [0,2,0,0,0,0|1,0,1]=4 2289 B14R1.883 C/C=C/CSc1cc(ccc1OC)F 62a_100102629194_100000171694 [0,2,0,0,0,0|1,0,1]=4 2290 B14R1.883 C/C=C/CSc1cc(ccc1OC)N 62a_100011356947_100102629194 [0,2,0,0,0,0|1,0,1]=4 2291 B14R1.883 C/C=C/CSc1cc(ccc1OC)N 62a_100102629194_100011356947 [0,2,0,0,0,0|1,0,1]=4 2292 B14R1.883 C/C=C/CSc1cc(ccc1OC)O 62a_100010234764_100102629194 [0,2,0,0,0,0|1,0,1]=4 2293 B14R1.883 C/C=C/CSc1cc(ccc1OC)O 62a_100102629194_100010234764 [0,2,0,0,0,0|1,0,1]=4 2294 B14R1.883 CC=CCNc1cc(ccc1OC)Br 34a_100000743470_100000070051 [0,2,0,0,0,0|1,0,1]=4 2295 B14R1.883 CC=CCNc1cc(ccc1OC)C 2230a_100000210980_100000070051 [0,2,0,0,0,0|1,0,1]=4 2296 B14R1.883 CC=CCNc1cc(ccc1OC)C 34a_100000210980_100000070051 [0,2,0,0,0,0|1,0,1]=4 2297 B14R1.883 CC=CCNc1cc(ccc1OC)Cl 34a_100000182114_100000070051 [0,2,0,0,0,0|1,0,1]=4 2298 B14R1.883 CC=CCNc1cc(ccc1OC)F 34a_100000757179_100000070051 [0,2,0,0,0,0|1,0,1]=4 2299 B14R1.883 CC=CCOc1cc(ccc1OC)Br 34a_100009816560_100000070051 [0,2,0,0,0,0|1,0,1]=4 2300 B14R1.883 CC=CCOc1cc(ccc1OC)Br 7a_100009816560_100000070051 [0,2,0,0,0,0|1,0,1]=4 2301 B14R1.883 CC=CCOc1cc(ccc1OC)C 34a_100011216497_100000070051 [0,2,0,0,0,0|1,0,1]=4 2302 B14R1.883 CC=CCOc1cc(ccc1OC)C 7a_100011216497_100000070051 [0,2,0,0,0,0|1,0,1]=4 2303 B14R1.883 CC=CCOc1cc(ccc1OC)Cl 34a_100000101779_100000070051 [0,2,0,0,0,0|1,0,1]=4 2304 B14R1.883 CC=CCOc1cc(ccc1OC)Cl 7a_100000101779_100000070051 [0,2,0,0,0,0|1,0,1]=4 2305 B14R1.883 CC=CCOc1cc(ccc1OC)F 34a_100000034962_100000070051 [0,2,0,0,0,0|1,0,1]=4 2306 B14R1.883 CC=CCOc1cc(ccc1OC)F 7a_100000034962_100000070051 [0,2,0,0,0,0|1,0,1]=4 2307 B14R1.883 CC=CCOc1cc(ccc1OC)N 34a_100000211920_100000070051 [0,2,0,0,0,0|1,0,1]=4 2308 B14R1.883 CC=CCSc1cc(ccc1OC)Br 62a_100000070051_100012351588 [0,2,0,0,0,0|1,0,1]=4 2309 B14R1.883 CC=CCSc1cc(ccc1OC)Br 62a_100012351588_100000070051 [0,2,0,0,0,0|1,0,1]=4 2310 B14R1.883 CC=CCSc1cc(ccc1OC)C 62a_100000070051_100000186399 [0,2,0,0,0,0|1,0,1]=4 2311 B14R1.883 CC=CCSc1cc(ccc1OC)C 62a_100000186399_100000070051 [0,2,0,0,0,0|1,0,1]=4 2312 B14R1.883 CC=CCSc1cc(ccc1OC)Cl 62a_100000070051_100011215930 [0,2,0,0,0,0|1,0,1]=4 2313 B14R1.883 CC=CCSc1cc(ccc1OC)Cl 62a_100011215930_100000070051 [0,2,0,0,0,0|1,0,1]=4 2314 B14R1.883 CC=CCSc1cc(ccc1OC)F 62a_100000070051_100000171694 [0,2,0,0,0,0|1,0,1]=4 2315 B14R1.883 CC=CCSc1cc(ccc1OC)F 62a_100000171694_100000070051 [0,2,0,0,0,0|1,0,1]=4 2316 B14R1.883 CC=CCSc1cc(ccc1OC)N 62a_100000070051_100011356947 [0,2,0,0,0,0|1,0,1]=4 2317 B14R1.883 CC=CCSc1cc(ccc1OC)N 62a_100011356947_100000070051 [0,2,0,0,0,0|1,0,1]=4 2318 B14R1.883 CC=CCSc1cc(ccc1OC)O 62a_100000070051_100010234764 [0,2,0,0,0,0|1,0,1]=4 2319 B14R1.883 CC=CCSc1cc(ccc1OC)O 62a_100010234764_100000070051 [0,2,0,0,0,0|1,0,1]=4 2320 B14R1.883 CCCC=Cc1cc(ccc1OC)Br 271570a_100016258520_100012351588 [0,2,0,0,0,0|1,0,1]=4 2321 B14R1.883 CCCC=Cc1cc(ccc1OC)C 271570a_100016258520_100000186399 [0,2,0,0,0,0|1,0,1]=4 2322 B14R1.883 CCCC=Cc1cc(ccc1OC)Cl 271570a_100016258520_100011215930 [0,2,0,0,0,0|1,0,1]=4 2323 B14R1.883 CCCC=Cc1cc(ccc1OC)F 271570a_100016258520_100000171694 [0,2,0,0,0,0|1,0,1]=4 2324 B14R1.883 CCCC=Cc1cc(ccc1OC)N 271570a_100016258520_100000187427 [0,2,0,0,0,0|1,0,1]=4 2325 B14R1.883 CCCC=Cc1cc(ccc1OC)O 271570a_100016258520_100010084122 [0,2,0,0,0,0|1,0,1]=4 2326 B14R1.883 CCOC=Cc1cc(ccc1OC)Br 271570a_100016256518_100012351588 [0,2,0,0,0,0|1,0,1]=4 2327 B14R1.883 CCOC=Cc1cc(ccc1OC)C 271570a_100016256518_100000186399 [0,2,0,0,0,0|1,0,1]=4 2328 B14R1.883 CCOC=Cc1cc(ccc1OC)Cl 271570a_100016256518_100011215930 [0,2,0,0,0,0|1,0,1]=4 2329 B14R1.883 CCOC=Cc1cc(ccc1OC)F 271570a_100016256518_100000171694 [0,2,0,0,0,0|1,0,1]=4 2330 B14R1.883 CCOC=Cc1cc(ccc1OC)N 271570a_100016256518_100000187427 [0,2,0,0,0,0|1,0,1]=4 2331 B14R1.883 CCOC=Cc1cc(ccc1OC)O 271570a_100016256518_100010084122 [0,2,0,0,0,0|1,0,1]=4 2332 B14R1.883 COCC=Cc1cc(ccc1OC)Br 271570a_100016286323_100012351588 [0,2,0,0,0,0|0,0,2]=4 2333 B14R1.883 COCC=Cc1cc(ccc1OC)C 271570a_100016286323_100000186399 [0,2,0,0,0,0|0,0,2]=4 2334 B14R1.883 COCC=Cc1cc(ccc1OC)Cl 271570a_100016286323_100011215930 [0,2,0,0,0,0|0,0,2]=4 2335 B14R1.883 COCC=Cc1cc(ccc1OC)F 271570a_100016286323_100000171694 [0,2,0,0,0,0|0,0,2]=4 2336 B14R1.883 COCC=Cc1cc(ccc1OC)N 271570a_100016286323_100000187427 [0,2,0,0,0,0|0,0,2]=4 2337 B14R1.883 COCC=Cc1cc(ccc1OC)O 271570a_100016286323_100010084122 [0,2,0,0,0,0|0,0,2]=4 2338 B14R1.883 COc1ccc(cc1CNCC=O)Br 34a_100000690498_200009817547 [0,2,0,0,0,0|0,0,2]=4 2339 B14R1.883 COc1ccc(cc1CNCC=O)Cl 2230a_100000740580_200015260668 [0,2,0,0,0,0|0,0,2]=4 2340 B14R1.883 COc1ccc(cc1CNCC=O)Cl 34a_100000740580_200009817547 [0,2,0,0,0,0|0,0,2]=4 2341 B14R1.883 COc1ccc(cc1CNCC=O)F 34a_100011199032_200009817547 [0,2,0,0,0,0|0,0,2]=4 2342 B14R1.883 COc1ccc(cc1COCC=O)Br 34a_100000204679_200009817547 [0,2,0,0,0,0|0,0,2]=4 2343 B14R1.883 COc1ccc(cc1COCC=O)Br 7a_100000204679_200015260668 [0,2,0,0,0,0|0,0,2]=4 2344 B14R1.883 COc1ccc(cc1COCC=O)C 34a_200000246444_200009817547 [0,2,0,0,0,0|0,0,2]=4 2345 B14R1.883 COc1ccc(cc1COCC=O)C 7a_200000246444_200015260668 [0,2,0,0,0,0|0,0,2]=4 2346 B14R1.883 COc1ccc(cc1COCC=O)F 34a_100011266440_200009817547 [0,2,0,0,0,0|0,0,2]=4 2347 B14R1.883 COc1ccc(cc1COCC=O)F 7a_100011266440_200015260668 [0,2,0,0,0,0|0,0,2]=4 2348 B14R1.883 COc1ccc(cc1COCC=O)I 34a_200137411115_200009817547 [0,2,0,0,0,0|0,0,2]=4 2349 B14R1.883 COc1ccc(cc1COCC=O)I 7a_200137411115_200015260668 [0,2,0,0,0,0|0,0,2]=4 2350 B14R1.883 COc1ccc(cc1CSCC=O)Br 62a_100000204665_200015260668 [0,2,0,0,0,0|0,0,2]=4 2351 B14R1.883 COc1ccc(cc1CSCC=O)Br 62a_200015260668_100000204665 [0,2,0,0,0,0|0,0,2]=4 2352 B14R1.883 COc1ccc(cc1CSCC=O)C 62a_100000199068_200015260668 [0,2,0,0,0,0|0,0,2]=4 2353 B14R1.883 COc1ccc(cc1CSCC=O)C 62a_200015260668_100000199068 [0,2,0,0,0,0|0,0,2]=4 2354 B14R1.883 COc1ccc(cc1CSCC=O)Cl 62a_100000209806_200015260668 [0,2,0,0,0,0|0,0,2]=4 2355 B14R1.883 COc1ccc(cc1CSCC=O)Cl 62a_200015260668_100000209806 [0,2,0,0,0,0|0,0,2]=4 2356 B14R1.883 COc1ccc(cc1CSCC=O)F 62a_100011830354_200015260668 [0,2,0,0,0,0|0,0,2]=4 2357 B14R1.883 COc1ccc(cc1CSCC=O)F 62a_200015260668_100011830354 [0,2,0,0,0,0|0,0,2]=4 2358 B14R1.904 C/C=C/CNc1ccccc1OCC 34a_100000211218_100102629194 [0,2,0,0,0,0|1,0,1]=4 2359 B14R1.904 C/C=C/COc1ccccc1COC 34a_100011488565_100102629194 [0,2,0,0,0,0|1,0,1]=4 2360 B14R1.904 C/C=C/COc1ccccc1COC 7a_100011488565_100102629194 [0,2,0,0,0,0|1,0,1]=4 2361 B14R1.904 C/C=C/COc1ccccc1OCC 34a_100000211404_100102629194 [0,2,0,0,0,0|1,0,1]=4 2362 B14R1.904 C/C=C/COc1ccccc1OCC 7a_100000211404_100102629194 [0,2,0,0,0,0|1,0,1]=4 2363 B14R1.904 C/C=C/CSc1ccccc1COC 62a_100011493684_100102629194 [0,2,0,0,0,0|1,0,1]=4 2364 B14R1.904 C/C=C/CSc1ccccc1COC 62a_100102629194_100011493684 [0,2,0,0,0,0|1,0,1]=4 2365 B14R1.904 C/C=C/CSc1ccccc1OCC 62a_100000230754_100102629194 [0,2,0,0,0,0|1,0,1]=4 2366 B14R1.904 C/C=C/CSc1ccccc1OCC 62a_100102629194_100000230754 [0,2,0,0,0,0|1,0,1]=4 2367 B14R1.904 CC=CCNc1ccccc1OCC 34a_100000211218_100000070051 [0,2,0,0,0,0|1,0,1]=4 2368 B14R1.904 CC=CCOc1ccccc1COC 34a_100011488565_100000070051 [0,2,0,0,0,0|1,0,1]=4 2369 B14R1.904 CC=CCOc1ccccc1COC 7a_100011488565_100000070051 [0,2,0,0,0,0|1,0,1]=4 2370 B14R1.904 CC=CCOc1ccccc1OCC 34a_100000211404_100000070051 [0,2,0,0,0,0|1,0,1]=4 2371 B14R1.904 CC=CCOc1ccccc1OCC 7a_100000211404_100000070051 [0,2,0,0,0,0|1,0,1]=4 2372 B14R1.904 CC=CCSc1ccccc1COC 62a_100000070051_100011493684 [0,2,0,0,0,0|1,0,1]=4 2373 B14R1.904 CC=CCSc1ccccc1COC 62a_100011493684_100000070051 [0,2,0,0,0,0|1,0,1]=4 2374 B14R1.904 CC=CCSc1ccccc1OCC 62a_100000070051_100000230754 [0,2,0,0,0,0|1,0,1]=4 2375 B14R1.904 CC=CCSc1ccccc1OCC 62a_100000230754_100000070051 [0,2,0,0,0,0|1,0,1]=4 2376 B14R1.904 CCCC=Cc1ccccc1COC 271570a_100016258520_100011493684 [0,2,0,0,0,0|1,0,1]=4 2377 B14R1.904 CCCC=Cc1ccccc1OCC 271570a_100016258520_100000230754 [0,2,0,0,0,0|1,0,1]=4 2378 B14R1.904 CCOC=Cc1ccccc1COC 271570a_100016256518_100011493684 [0,2,0,0,0,0|1,0,1]=4 2379 B14R1.904 CCOC=Cc1ccccc1OCC 271570a_100016256518_100000230754 [0,2,0,0,0,0|1,0,1]=4 2380 B14R1.904 CCOc1ccccc1C=CCOC 271570a_100016286323_100000230754 [0,2,0,0,0,0|0,0,2]=4 2381 B14R1.904 CCOc1ccccc1COCC=O 34a_100000708577_200009817547 [0,2,0,0,0,0|0,0,2]=4 2382 B14R1.904 CCOc1ccccc1COCC=O 7a_100000708577_200015260668 [0,2,0,0,0,0|0,0,2]=4 2383 B14R1.904 COCC=Cc1ccccc1COC 271570a_100016286323_100011493684 [0,2,0,0,0,0|0,0,2]=4 2384 B14R1.939 C/C=C/CC(=O)c1ccccc1CC 1458a_100000689120_100102629194 [0,2,0,0,0,0|2,0,0]=4 2385 B14R1.939 C/C=C/CC(=O)c1ccccc1OC 1458a_100000185835_100102629194 [0,2,0,0,0,0|1,0,0]=3 2386 B14R1.939 C/C=C/CC(=O)c1ccccc1SC 1458a_100000183967_100102629194 [0,2,0,0,0,0|1,1,0]=4 2387 B14R1.939 C/C=C/CN(C)c1ccccc1OC 269982a_100000219746_100102629194 [0,2,0,0,0,0|1,0,1]=4 2388 B14R1.939 C/C=C/CN(C)c1ccccc1OC 34a_100000219746_100102629194 [0,2,0,0,0,0|1,0,1]=4 2389 B14R1.939 C=CCCC(=O)c1ccccc1OC 1458a_100000185835_100000754431 [0,2,0,0,0,0|1,0,1]=4 2390 B14R1.939 C=CCNC(=O)c1ccccc1OC 1626a_100020586998_100000185835 [0,2,0,0,0,0|1,0,1]=4 2391 B14R1.939 C=CCNC(=O)c1ccccc1OC 240690a_100020586998_100000185835 [0,2,0,0,0,0|1,0,1]=4 2392 B14R1.939 C=CCNC(=O)c1ccccc1OC 527a_100020586998_100000185835 [0,2,0,0,0,0|1,0,1]=4 2393 B14R1.939 CC=CCC(=O)c1ccccc1CC 1458a_100000689120_100000070051 [0,2,0,0,0,0|2,0,0]=4 2394 B14R1.939 CC=CCC(=O)c1ccccc1OC 1458a_100000185835_100000070051 [0,2,0,0,0,0|1,0,0]=3 2395 B14R1.939 CC=CCC(=O)c1ccccc1SC 1458a_100000183967_100000070051 [0,2,0,0,0,0|1,1,0]=4 2396 B14R1.939 CC=CCN(C)c1ccccc1OC 2230a_100000219746_100000070051 [0,2,0,0,0,0|1,0,1]=4 2397 B14R1.939 CC=CCN(C)c1ccccc1OC 34a_100000219746_100000070051 [0,2,0,0,0,0|1,0,1]=4 2398 B14R1.939 CC=NNC(=O)c1ccccc1OC 4a_100000189102_200000210099 [0,2,0,0,0,0|2,0,0]=4 2399 B14R1.939 COc1ccccc1C(C)NCC=O 2230a_100000185323_200015260668 [0,2,0,0,0,0|0,0,2]=4 2400 B14R1.939 COc1ccccc1C(C)OCC=O 7a_100000742714_200015260668 [0,2,0,0,0,0|0,0,2]=4 2401 B14R1.965 C=CCC(=O)Cc1ccccc1OC 1458a_100000210193_100000210004 [0,2,0,0,0,0|1,0,1]=4 2402 B14R1.965 C=CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210623 [0,2,0,0,0,0|1,0,1]=4 2403 B14R1.965 C=CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210193 [0,2,0,0,0,0|1,0,1]=4 2404 B14R1.965 C=CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210193 [0,2,0,0,0,0|1,0,1]=4 2405 B14R1.965 C=CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210193 [0,2,0,0,0,0|1,0,1]=4 2406 B14R1.965 C=CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210193 [0,2,0,0,0,0|1,0,1]=4 2407 B14R1.965 CC=CC(=O)Cc1ccccc1OC 1458a_100000210699_100000210004 [0,2,0,0,0,0|1,0,0]=3 2408 B14R1.965 CC=CC(=O)Cc1ccccc1SC 1458a_100000210699_100000699184 [0,2,0,0,0,0|1,1,0]=4 2409 B14R1.965 CC=CC(=O)Cc1cccnc1OC 1458a_100000210699_100020631285 [0,2,0,0,0,0|2,0,0]=4 2410 B14R1.965 CC=CC(=O)Cc1ccncc1OC 1458a_100000210699_100020635607 [0,2,0,0,0,0|2,0,0]=4 2411 B14R1.965 CC=CC(=O)Nc1ccccc1CC 11a_100000212081_100000210699 [0,2,0,0,0,0|2,0,0]=4 2412 B14R1.965 CC=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000210699 [0,2,0,0,0,0|2,0,0]=4 2413 B14R1.965 CC=CC(=O)Nc1ccccc1CC 22a_100000212081_100000210699 [0,2,0,0,0,0|2,0,0]=4 2414 B14R1.965 CC=CC(=O)Nc1ccccc1OC 11a_100000210025_100000210699 [0,2,0,0,0,0|1,0,0]=3 2415 B14R1.965 CC=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000210699 [0,2,0,0,0,0|1,0,0]=3 2416 B14R1.965 CC=CC(=O)Nc1ccccc1OC 22a_100000210025_100000210699 [0,2,0,0,0,0|1,0,0]=3 2417 B14R1.965 CC=CC(=O)Nc1ccccc1SC 11a_100000211160_100000210699 [0,2,0,0,0,0|1,1,0]=4 2418 B14R1.965 CC=CC(=O)Nc1ccccc1SC 22a_100000211160_100000210699 [0,2,0,0,0,0|1,1,0]=4 2419 B14R1.965 CCc1ccccc1NC(=O)C=CBr 1626a_100000212081_100016273825 [0,2,0,0,0,0|2,0,0]=4 2420 B14R1.965 CCc1ccccc1NC(=O)C=CCl 11a_100000212081_200016279998 [0,2,0,0,0,0|2,0,0]=4 2421 B14R1.965 CCc1ccccc1NC(=O)C=CCl 1626a_100000212081_200016279998 [0,2,0,0,0,0|2,0,0]=4 2422 B14R1.965 CCc1ccccc1NC(=O)C=CI 1626a_100000212081_100016256311 [0,2,0,0,0,0|2,0,0]=4 2423 B14R1.965 COc1ccccc1CC(=O)C=CBr 1458a_100016273825_100000210004 [0,2,0,0,0,0|1,0,0]=3 2424 B14R1.965 COc1ccccc1CC(=O)C=CCl 1458a_200016279998_100000210004 [0,2,0,0,0,0|1,0,0]=3 2425 B14R1.965 COc1ccccc1CC(=O)C=CI 1458a_100016256311_100000210004 [0,2,0,0,0,0|1,0,0]=3 2426 B14R1.965 COc1ccccc1CN(C)CC=O 2230a_100000184376_200015260668 [0,2,0,0,0,0|0,0,2]=4 2427 B14R1.965 COc1ccccc1CN(C)CC=O 269982a_100000184376_200015260668 [0,2,0,0,0,0|0,0,2]=4 2428 B14R1.965 COc1ccccc1NC(=O)C=CBr 1626a_100000210025_100016273825 [0,2,0,0,0,0|1,0,0]=3 2429 B14R1.965 COc1ccccc1NC(=O)C=CCl 11a_100000210025_200016279998 [0,2,0,0,0,0|1,0,0]=3 2430 B14R1.965 COc1ccccc1NC(=O)C=CCl 1626a_100000210025_200016279998 [0,2,0,0,0,0|1,0,0]=3 2431 B14R1.965 COc1ccccc1NC(=O)C=CI 1626a_100000210025_100016256311 [0,2,0,0,0,0|1,0,0]=3 2432 B14R1.965 COc1cnccc1CC(=O)C=CBr 1458a_100016273825_100020635607 [0,2,0,0,0,0|2,0,0]=4 2433 B14R1.965 COc1cnccc1CC(=O)C=CCl 1458a_200016279998_100020635607 [0,2,0,0,0,0|2,0,0]=4 2434 B14R1.965 COc1cnccc1CC(=O)C=CI 1458a_100016256311_100020635607 [0,2,0,0,0,0|2,0,0]=4 2435 B14R1.965 COc1ncccc1CC(=O)C=CBr 1458a_100016273825_100020631285 [0,2,0,0,0,0|2,0,0]=4 2436 B14R1.965 COc1ncccc1CC(=O)C=CCl 1458a_200016279998_100020631285 [0,2,0,0,0,0|2,0,0]=4 2437 B14R1.965 COc1ncccc1CC(=O)C=CI 1458a_100016256311_100020631285 [0,2,0,0,0,0|2,0,0]=4 2438 B14R1.965 CSc1ccccc1CC(=O)C=CBr 1458a_100016273825_100000699184 [0,2,0,0,0,0|1,1,0]=4 2439 B14R1.965 CSc1ccccc1CC(=O)C=CCl 1458a_200016279998_100000699184 [0,2,0,0,0,0|1,1,0]=4 2440 B14R1.965 CSc1ccccc1CC(=O)C=CI 1458a_100016256311_100000699184 [0,2,0,0,0,0|1,1,0]=4 2441 B14R1.965 CSc1ccccc1NC(=O)C=CCl 11a_100000211160_200016279998 [0,2,0,0,0,0|1,1,0]=4 2442 B14R1.3381 C/C=C/CNc1c(cccc1OC)Br 34a_100000708083_100102629194 [0,2,0,0,0,0|1,0,1]=4 2443 B14R1.3381 C/C=C/CNc1c(cccc1OC)C 34a_100000758225_100102629194 [0,2,0,0,0,0|1,0,1]=4 2444 B14R1.3381 C/C=C/CNc1c(cccc1OC)Cl 34a_100011309317_100102629194 [0,2,0,0,0,0|1,0,1]=4 2445 B14R1.3381 C/C=C/CNc1c(cccc1OC)F 34a_100000686744_100102629194 [0,2,0,0,0,0|1,0,1]=4 2446 B14R1.3381 C/C=C/CNc1c(cccc1OC)O 34a_100012022766_100102629194 [0,2,0,0,0,0|1,0,1]=4 2447 B14R1.3381 C/C=C/COc1c(cccc1OC)Br 34a_100000686866_100102629194 [0,2,0,0,0,0|1,0,1]=4 2448 B14R1.3381 C/C=C/COc1c(cccc1OC)C 34a_100011219253_100102629194 [0,2,0,0,0,0|1,0,1]=4 2449 B14R1.3381 C/C=C/COc1c(cccc1OC)C 7a_100011219253_100102629194 [0,2,0,0,0,0|1,0,1]=4 2450 B14R1.3381 C/C=C/COc1c(cccc1OC)Cl 34a_100009851661_100102629194 [0,2,0,0,0,0|1,0,1]=4 2451 B14R1.3381 C/C=C/COc1c(cccc1OC)Cl 7a_100009851661_100102629194 [0,2,0,0,0,0|1,0,1]=4 2452 B14R1.3381 C/C=C/COc1c(cccc1OC)F 34a_100000036725_100102629194 [0,2,0,0,0,0|1,0,1]=4 2453 B14R1.3381 C/C=C/COc1c(cccc1OC)F 7a_100000036725_100102629194 [0,2,0,0,0,0|1,0,1]=4 2454 B14R1.3381 C/C=C/COc1c(cccc1OC)N 34a_100000123586_100102629194 [0,2,0,0,0,0|1,0,1]=4 2455 B14R1.3381 C/C=C/CSc1c(cccc1OC)Br 62a_100010131421_100102629194 [0,2,0,0,0,0|1,0,1]=4 2456 B14R1.3381 C/C=C/CSc1c(cccc1OC)Br 62a_100102629194_100010131421 [0,2,0,0,0,0|1,0,1]=4 2457 B14R1.3381 C/C=C/CSc1c(cccc1OC)C 62a_100010191535_100102629194 [0,2,0,0,0,0|1,0,1]=4 2458 B14R1.3381 C/C=C/CSc1c(cccc1OC)C 62a_100102629194_100010191535 [0,2,0,0,0,0|1,0,1]=4 2459 B14R1.3381 C/C=C/CSc1c(cccc1OC)F 62a_100000703912_100102629194 [0,2,0,0,0,0|1,0,1]=4 2460 B14R1.3381 C/C=C/CSc1c(cccc1OC)F 62a_100102629194_100000703912 [0,2,0,0,0,0|1,0,1]=4 2461 B14R1.3381 C/C=C/CSc1c(cccc1OC)N 62a_100000703447_100102629194 [0,2,0,0,0,0|1,0,1]=4 2462 B14R1.3381 C/C=C/CSc1c(cccc1OC)N 62a_100102629194_100000703447 [0,2,0,0,0,0|1,0,1]=4 2463 B14R1.3381 C/C=C/CSc1c(cccc1OC)O 62a_100102629194_100010202623 [0,2,0,0,0,0|1,0,1]=4 2464 B14R1.3381 CC=CCNc1c(cccc1OC)Br 34a_100000708083_100000070051 [0,2,0,0,0,0|1,0,1]=4 2465 B14R1.3381 CC=CCNc1c(cccc1OC)C 2230a_100000758225_100000070051 [0,2,0,0,0,0|1,0,1]=4 2466 B14R1.3381 CC=CCNc1c(cccc1OC)C 34a_100000758225_100000070051 [0,2,0,0,0,0|1,0,1]=4 2467 B14R1.3381 CC=CCNc1c(cccc1OC)Cl 34a_100011309317_100000070051 [0,2,0,0,0,0|1,0,1]=4 2468 B14R1.3381 CC=CCNc1c(cccc1OC)F 34a_100000686744_100000070051 [0,2,0,0,0,0|1,0,1]=4 2469 B14R1.3381 CC=CCNc1c(cccc1OC)O 34a_100012022766_100000070051 [0,2,0,0,0,0|1,0,1]=4 2470 B14R1.3381 CC=CCOc1c(cccc1OC)Br 34a_100000686866_100000070051 [0,2,0,0,0,0|1,0,1]=4 2471 B14R1.3381 CC=CCOc1c(cccc1OC)C 34a_100011219253_100000070051 [0,2,0,0,0,0|1,0,1]=4 2472 B14R1.3381 CC=CCOc1c(cccc1OC)C 7a_100011219253_100000070051 [0,2,0,0,0,0|1,0,1]=4 2473 B14R1.3381 CC=CCOc1c(cccc1OC)Cl 34a_100009851661_100000070051 [0,2,0,0,0,0|1,0,1]=4 2474 B14R1.3381 CC=CCOc1c(cccc1OC)Cl 7a_100009851661_100000070051 [0,2,0,0,0,0|1,0,1]=4 2475 B14R1.3381 CC=CCOc1c(cccc1OC)F 34a_100000036725_100000070051 [0,2,0,0,0,0|1,0,1]=4 2476 B14R1.3381 CC=CCOc1c(cccc1OC)F 7a_100000036725_100000070051 [0,2,0,0,0,0|1,0,1]=4 2477 B14R1.3381 CC=CCOc1c(cccc1OC)N 34a_100000123586_100000070051 [0,2,0,0,0,0|1,0,1]=4 2478 B14R1.3381 CC=CCSc1c(cccc1OC)Br 62a_100000070051_100010131421 [0,2,0,0,0,0|1,0,1]=4 2479 B14R1.3381 CC=CCSc1c(cccc1OC)Br 62a_100010131421_100000070051 [0,2,0,0,0,0|1,0,1]=4 2480 B14R1.3381 CC=CCSc1c(cccc1OC)C 62a_100000070051_100010191535 [0,2,0,0,0,0|1,0,1]=4 2481 B14R1.3381 CC=CCSc1c(cccc1OC)C 62a_100010191535_100000070051 [0,2,0,0,0,0|1,0,1]=4 2482 B14R1.3381 CC=CCSc1c(cccc1OC)F 62a_100000070051_100000703912 [0,2,0,0,0,0|1,0,1]=4 2483 B14R1.3381 CC=CCSc1c(cccc1OC)F 62a_100000703912_100000070051 [0,2,0,0,0,0|1,0,1]=4 2484 B14R1.3381 CC=CCSc1c(cccc1OC)N 62a_100000070051_100000703447 [0,2,0,0,0,0|1,0,1]=4 2485 B14R1.3381 CC=CCSc1c(cccc1OC)N 62a_100000703447_100000070051 [0,2,0,0,0,0|1,0,1]=4 2486 B14R1.3381 CC=CCSc1c(cccc1OC)O 62a_100000070051_100010202623 [0,2,0,0,0,0|1,0,1]=4 2487 B14R1.3381 CCCC=Cc1c(cccc1OC)Br 271570a_100016258520_100010131421 [0,2,0,0,0,0|1,0,1]=4 2488 B14R1.3381 CCCC=Cc1c(cccc1OC)F 271570a_100016258520_100000041735 [0,2,0,0,0,0|1,0,1]=4 2489 B14R1.3381 CCCC=Cc1c(cccc1OC)N 271570a_100016258520_100000703447 [0,2,0,0,0,0|1,0,1]=4 2490 B14R1.3381 CCCC=Cc1c(cccc1OC)O 271570a_100016258520_100010202623 [0,2,0,0,0,0|1,0,1]=4 2491 B14R1.3381 CCOC=Cc1c(cccc1OC)Br 271570a_100016256518_100010131421 [0,2,0,0,0,0|1,0,1]=4 2492 B14R1.3381 CCOC=Cc1c(cccc1OC)F 271570a_100016256518_100000041735 [0,2,0,0,0,0|1,0,1]=4 2493 B14R1.3381 CCOC=Cc1c(cccc1OC)N 271570a_100016256518_100000703447 [0,2,0,0,0,0|1,0,1]=4 2494 B14R1.3381 CCOC=Cc1c(cccc1OC)O 271570a_100016256518_100010202623 [0,2,0,0,0,0|1,0,1]=4 2495 B14R1.3381 COCC=Cc1c(cccc1OC)Br 271570a_100016286323_100010131421 [0,2,0,0,0,0|0,0,2]=4 2496 B14R1.3381 COCC=Cc1c(cccc1OC)F 271570a_100016286323_100000041735 [0,2,0,0,0,0|0,0,2]=4 2497 B14R1.3381 COCC=Cc1c(cccc1OC)N 271570a_100016286323_100000703447 [0,2,0,0,0,0|0,0,2]=4 2498 B14R1.3381 COCC=Cc1c(cccc1OC)O 271570a_100016286323_100010202623 [0,2,0,0,0,0|0,0,2]=4 2499 B14R1.3381 COc1cccc(c1CNCC=O)F 34a_100016992011_200009817547 [0,2,0,0,0,0|0,0,2]=4 2500 B14R1.3381 COc1cccc(c1COCC=O)F 34a_100011216733_200009817547 [0,2,0,0,0,0|0,0,2]=4 2501 B14R1.3381 COc1cccc(c1COCC=O)F 7a_100011216733_200015260668 [0,2,0,0,0,0|0,0,2]=4 2502 B14R1.3381 COc1cccc(c1CSCC=O)Cl 62a_100012349678_200015260668 [0,2,0,0,0,0|0,0,2]=4 2503 B14R1.3381 COc1cccc(c1CSCC=O)Cl 62a_200015260668_100012349678 [0,2,0,0,0,0|0,0,2]=4 2504 B14R1.3381 COc1cccc(c1CSCC=O)F 62a_100011216731_200015260668 [0,2,0,0,0,0|0,0,2]=4 2505 B14R1.3381 COc1cccc(c1CSCC=O)F 62a_200015260668_100011216731 [0,2,0,0,0,0|0,0,2]=4 2506 B14R1.3619 C/C=C/CNc1cccc(c1OC)Br 34a_100011935253_100102629194 [0,2,0,0,0,0|1,0,1]=4 2507 B14R1.3619 C/C=C/CNc1cccc(c1OC)C 34a_100012017360_100102629194 [0,2,0,0,0,0|1,0,1]=4 2508 B14R1.3619 C/C=C/CNc1cccc(c1OC)Cl 34a_100000743799_100102629194 [0,2,0,0,0,0|1,0,1]=4 2509 B14R1.3619 C/C=C/CNc1cccc(c1OC)F 34a_100011215007_100102629194 [0,2,0,0,0,0|1,0,1]=4 2510 B14R1.3619 C/C=C/COc1cccc(c1OC)Br 34a_100010234590_100102629194 [0,2,0,0,0,0|1,0,1]=4 2511 B14R1.3619 C/C=C/COc1cccc(c1OC)Cl 34a_200009886253_100102629194 [0,2,0,0,0,0|1,0,1]=4 2512 B14R1.3619 C/C=C/COc1cccc(c1OC)Cl 7a_200009886253_100102629194 [0,2,0,0,0,0|1,0,1]=4 2513 B14R1.3619 C/C=C/CSc1cccc(c1OC)Br 62a_100010146560_100102629194 [0,2,0,0,0,0|1,0,1]=4 2514 B14R1.3619 C/C=C/CSc1cccc(c1OC)Br 62a_100102629194_100010146560 [0,2,0,0,0,0|1,0,1]=4 2515 B14R1.3619 C/C=C/CSc1cccc(c1OC)C 62a_100010141385_100102629194 [0,2,0,0,0,0|1,0,1]=4 2516 B14R1.3619 C/C=C/CSc1cccc(c1OC)C 62a_100102629194_100010141385 [0,2,0,0,0,0|1,0,1]=4 2517 B14R1.3619 C/C=C/CSc1cccc(c1OC)Cl 62a_100010147678_100102629194 [0,2,0,0,0,0|1,0,1]=4 2518 B14R1.3619 C/C=C/CSc1cccc(c1OC)Cl 62a_100102629194_100010147678 [0,2,0,0,0,0|1,0,1]=4 2519 B14R1.3619 C/C=C/CSc1cccc(c1OC)F 62a_100009816759_100102629194 [0,2,0,0,0,0|1,0,1]=4 2520 B14R1.3619 C/C=C/CSc1cccc(c1OC)F 62a_100102629194_100009816759 [0,2,0,0,0,0|1,0,1]=4 2521 B14R1.3619 C/C=C/CSc1cccc(c1OC)N 62a_100011935253_100102629194 [0,2,0,0,0,0|1,0,1]=4 2522 B14R1.3619 C/C=C/CSc1cccc(c1OC)O 62a_100102629194_100010234590 [0,2,0,0,0,0|1,0,1]=4 2523 B14R1.3619 CC=CCNc1cccc(c1OC)Br 34a_100011935253_100000070051 [0,2,0,0,0,0|1,0,1]=4 2524 B14R1.3619 CC=CCNc1cccc(c1OC)C 34a_100012017360_100000070051 [0,2,0,0,0,0|1,0,1]=4 2525 B14R1.3619 CC=CCNc1cccc(c1OC)Cl 2230a_100000743799_100000070051 [0,2,0,0,0,0|1,0,1]=4 2526 B14R1.3619 CC=CCNc1cccc(c1OC)Cl 34a_100000743799_100000070051 [0,2,0,0,0,0|1,0,1]=4 2527 B14R1.3619 CC=CCNc1cccc(c1OC)F 34a_100011215007_100000070051 [0,2,0,0,0,0|1,0,1]=4 2528 B14R1.3619 CC=CCOc1cccc(c1OC)Br 34a_100010234590_100000070051 [0,2,0,0,0,0|1,0,1]=4 2529 B14R1.3619 CC=CCOc1cccc(c1OC)Cl 34a_200009886253_100000070051 [0,2,0,0,0,0|1,0,1]=4 2530 B14R1.3619 CC=CCOc1cccc(c1OC)Cl 7a_200009886253_100000070051 [0,2,0,0,0,0|1,0,1]=4 2531 B14R1.3619 CC=CCSc1cccc(c1OC)Br 62a_100000070051_100010146560 [0,2,0,0,0,0|1,0,1]=4 2532 B14R1.3619 CC=CCSc1cccc(c1OC)Br 62a_100010146560_100000070051 [0,2,0,0,0,0|1,0,1]=4 2533 B14R1.3619 CC=CCSc1cccc(c1OC)C 62a_100000070051_100010141385 [0,2,0,0,0,0|1,0,1]=4 2534 B14R1.3619 CC=CCSc1cccc(c1OC)C 62a_100010141385_100000070051 [0,2,0,0,0,0|1,0,1]=4 2535 B14R1.3619 CC=CCSc1cccc(c1OC)Cl 62a_100000070051_100010147678 [0,2,0,0,0,0|1,0,1]=4 2536 B14R1.3619 CC=CCSc1cccc(c1OC)Cl 62a_100010147678_100000070051 [0,2,0,0,0,0|1,0,1]=4 2537 B14R1.3619 CC=CCSc1cccc(c1OC)F 62a_100000070051_100009816759 [0,2,0,0,0,0|1,0,1]=4 2538 B14R1.3619 CC=CCSc1cccc(c1OC)F 62a_100009816759_100000070051 [0,2,0,0,0,0|1,0,1]=4 2539 B14R1.3619 CC=CCSc1cccc(c1OC)N 62a_100011935253_100000070051 [0,2,0,0,0,0|1,0,1]=4 2540 B14R1.3619 CC=CCSc1cccc(c1OC)O 62a_100000070051_100010234590 [0,2,0,0,0,0|1,0,1]=4 2541 B14R1.3619 CCCC=Cc1cccc(c1OC)Br 271570a_100016258520_100010146560 [0,2,0,0,0,0|1,0,1]=4 2542 B14R1.3619 CCCC=Cc1cccc(c1OC)C 271570a_100016258520_100010141385 [0,2,0,0,0,0|1,0,1]=4 2543 B14R1.3619 CCCC=Cc1cccc(c1OC)Cl 271570a_100016258520_100010147678 [0,2,0,0,0,0|1,0,1]=4 2544 B14R1.3619 CCCC=Cc1cccc(c1OC)F 271570a_100016258520_100009816759 [0,2,0,0,0,0|1,0,1]=4 2545 B14R1.3619 CCCC=Cc1cccc(c1OC)N 271570a_100016258520_100011935253 [0,2,0,0,0,0|1,0,1]=4 2546 B14R1.3619 CCCC=Cc1cccc(c1OC)O 271570a_100016258520_100010234590 [0,2,0,0,0,0|1,0,1]=4 2547 B14R1.3619 CCOC=Cc1cccc(c1OC)Br 271570a_100016256518_100010146560 [0,2,0,0,0,0|1,0,1]=4 2548 B14R1.3619 CCOC=Cc1cccc(c1OC)C 271570a_100016256518_100010141385 [0,2,0,0,0,0|1,0,1]=4 2549 B14R1.3619 CCOC=Cc1cccc(c1OC)Cl 271570a_100016256518_100010147678 [0,2,0,0,0,0|1,0,1]=4 2550 B14R1.3619 CCOC=Cc1cccc(c1OC)F 271570a_100016256518_100009816759 [0,2,0,0,0,0|1,0,1]=4 2551 B14R1.3619 CCOC=Cc1cccc(c1OC)N 271570a_100016256518_100011935253 [0,2,0,0,0,0|1,0,1]=4 2552 B14R1.3619 CCOC=Cc1cccc(c1OC)O 271570a_100016256518_100010234590 [0,2,0,0,0,0|1,0,1]=4 2553 B14R1.3619 COCC=Cc1cccc(c1OC)Br 271570a_100016286323_100010146560 [0,2,0,0,0,0|0,0,2]=4 2554 B14R1.3619 COCC=Cc1cccc(c1OC)C 271570a_100016286323_100010141385 [0,2,0,0,0,0|0,0,2]=4 2555 B14R1.3619 COCC=Cc1cccc(c1OC)Cl 271570a_100016286323_100010147678 [0,2,0,0,0,0|0,0,2]=4 2556 B14R1.3619 COCC=Cc1cccc(c1OC)F 271570a_100016286323_100009816759 [0,2,0,0,0,0|0,0,2]=4 2557 B14R1.3619 COCC=Cc1cccc(c1OC)N 271570a_100016286323_100011935253 [0,2,0,0,0,0|0,0,2]=4 2558 B14R1.3619 COCC=Cc1cccc(c1OC)O 271570a_100016286323_100010234590 [0,2,0,0,0,0|0,0,2]=4 2559 B14R1.3619 COc1c(cccc1CNCC=O)F 34a_100137345168_200009817547 [0,2,0,0,0,0|0,0,2]=4 2560 B14R1.3619 COc1c(cccc1COCC=O)Br 34a_100000704359_200009817547 [0,2,0,0,0,0|0,0,2]=4 2561 B14R1.3619 COc1c(cccc1COCC=O)Br 7a_100000704359_200015260668 [0,2,0,0,0,0|0,0,2]=4 2562 B14R1.3619 COc1c(cccc1COCC=O)C 34a_100012184769_200009817547 [0,2,0,0,0,0|0,0,2]=4 2563 B14R1.3619 COc1c(cccc1COCC=O)C 7a_100012184769_200015260668 [0,2,0,0,0,0|0,0,2]=4 2564 B14R1.3619 COc1c(cccc1COCC=O)F 34a_100011830279_200009817547 [0,2,0,0,0,0|0,0,2]=4 2565 B14R1.3619 COc1c(cccc1COCC=O)F 7a_100011830279_200015260668 [0,2,0,0,0,0|0,0,2]=4 2566 B14R1.3619 COc1c(cccc1CSCC=O)Br 62a_100011470457_200015260668 [0,2,0,0,0,0|0,0,2]=4 2567 B14R1.3619 COc1c(cccc1CSCC=O)Br 62a_200015260668_100011470457 [0,2,0,0,0,0|0,0,2]=4 2568 B14R1.3619 COc1c(cccc1CSCC=O)C 62a_100012349798_200015260668 [0,2,0,0,0,0|0,0,2]=4 2569 B14R1.3619 COc1c(cccc1CSCC=O)C 62a_200015260668_100012349798 [0,2,0,0,0,0|0,0,2]=4 2570 B14R1.93 COc1ccccc1C=CC(C)(C)C 271570a_100102527731_100000174000 [0,2,0,0,0,0|1,0,1]=4 2571 B14R1.93 COc1ccccc1C=CC(C)(C)O 271570a_200016258132_100000174000 [0,2,0,0,0,0|0,0,2]=4 2572 B14R1.118 COc1c(cccc1C=CC(=O)C)F 1458a_100102526134_200000210301 [0,2,0,0,0,0|0,0,0]=2 2573 B14R1.118 COc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526134_200025704644 [0,2,0,0,0,0|0,0,0]=2 2574 B14R1.118 COc1c(cccc1C=CC(C)C)Br 271570a_100016257149_100010146560 [0,2,0,0,0,0|1,0,1]=4 2575 B14R1.118 COc1c(cccc1C=CC(C)C)C 271570a_100016257149_100010141385 [0,2,0,0,0,0|1,0,1]=4 2576 B14R1.118 COc1c(cccc1C=CC(C)C)Cl 271570a_100016257149_100010147678 [0,2,0,0,0,0|1,0,1]=4 2577 B14R1.118 COc1c(cccc1C=CC(C)C)F 271570a_100016257149_100009816759 [0,2,0,0,0,0|1,0,1]=4 2578 B14R1.118 COc1c(cccc1C=CC(C)C)N 271570a_100016257149_100011935253 [0,2,0,0,0,0|1,0,1]=4 2579 B14R1.118 COc1c(cccc1C=CC(C)C)O 271570a_100016257149_100010234590 [0,2,0,0,0,0|1,0,1]=4 2580 B14R1.118 COc1c(cccc1C=CC(C)O)Br 271570a_200011019289_100010146560 [0,2,0,0,0,0|0,0,2]=4 2581 B14R1.118 COc1c(cccc1C=CC(C)O)C 271570a_200011019289_100010141385 [0,2,0,0,0,0|0,0,2]=4 2582 B14R1.118 COc1c(cccc1C=CC(C)O)Cl 271570a_200011019289_100010147678 [0,2,0,0,0,0|0,0,2]=4 2583 B14R1.118 COc1c(cccc1C=CC(C)O)F 271570a_200011019289_100009816759 [0,2,0,0,0,0|0,0,2]=4 2584 B14R1.118 COc1c(cccc1C=CC(C)O)N 271570a_200011019289_100011935253 [0,2,0,0,0,0|0,0,2]=4 2585 B14R1.118 COc1c(cccc1C=CC(C)O)O 271570a_200011019289_100010234590 [0,2,0,0,0,0|0,0,2]=4 2586 B14R1.118 COc1c(cccc1CCC(=O)C)F 1458a_100000061530_200000210301 [0,2,0,0,0,0|0,0,2]=4 2587 B14R1.118 COc1c(cccc1CCC(=O)[13CH3])F 1458a_100000061530_200025704644 [0,2,0,0,0,0|0,0,2]=4 2588 B14R1.118 COc1c(cccc1CNC(=O)C)F 11a_100137345168_100015343762 [0,2,0,0,0,0|1,0,1]=4 2589 B14R1.118 COc1c(cccc1CNC(=O)C)F 1626a_100137345168_100015343762 [0,2,0,0,0,0|1,0,1]=4 2590 B14R1.118 COc1c(cccc1CNC(=O)C)F 240690a_100137345168_100015343762 [0,2,0,0,0,0|1,0,1]=4 2591 B14R1.118 COc1c(cccc1CNC(=O)C)F 527a_100137345168_100103153847 [0,2,0,0,0,0|1,0,1]=4 2592 B14R1.118 COc1c(cccc1NCC(=O)N)Br 34a_100011935253_100000187820 [0,2,0,0,0,0|1,0,1]=4 2593 B14R1.118 COc1c(cccc1NCC(=O)N)C 34a_100012017360_100000187820 [0,2,0,0,0,0|1,0,1]=4 2594 B14R1.118 COc1c(cccc1NCC(=O)N)Cl 2230a_100000743799_100000747473 [0,2,0,0,0,0|1,0,1]=4 2595 B14R1.118 COc1c(cccc1NCC(=O)N)Cl 34a_100000743799_100000187820 [0,2,0,0,0,0|1,0,1]=4 2596 B14R1.118 COc1c(cccc1NCC(=O)N)F 34a_100011215007_100000187820 [0,2,0,0,0,0|1,0,1]=4 2597 B14R1.118 COc1c(cccc1NCC(=O)[O-])Br 34a_100011935253_100020667443 [0,2,0,0,0,0|1,0,1]=4 2598 B14R1.118 COc1c(cccc1NCC(=O)[O-])C 34a_100012017360_100020667443 [0,2,0,0,0,0|1,0,1]=4 2599 B14R1.118 COc1c(cccc1NCC(=O)[O-])Cl 34a_100000743799_100020667443 [0,2,0,0,0,0|1,0,1]=4 2600 B14R1.118 COc1c(cccc1NCC(=O)[O-])F 34a_100011215007_100020667443 [0,2,0,0,0,0|1,0,1]=4 2601 B14R1.118 COc1c(cccc1OCC(=O)N)Br 34a_100010234590_100000187820 [0,2,0,0,0,0|1,0,1]=4 2602 B14R1.118 COc1c(cccc1OCC(=O)N)Cl 34a_200009886253_100000187820 [0,2,0,0,0,0|1,0,1]=4 2603 B14R1.118 COc1c(cccc1OCC(=O)N)Cl 7a_200009886253_100000187820 [0,2,0,0,0,0|1,0,1]=4 2604 B14R1.118 COc1c(cccc1OCC(=O)[O-])Br 34a_100010234590_100020667443 [0,2,0,0,0,0|1,0,1]=4 2605 B14R1.118 COc1c(cccc1OCC(=O)[O-])Cl 34a_200009886253_100020667443 [0,2,0,0,0,0|1,0,1]=4 2606 B14R1.118 COc1c(cccc1SCC(=O)N)Br 62a_100000747473_100010146560 [0,2,0,0,0,0|1,0,1]=4 2607 B14R1.118 COc1c(cccc1SCC(=O)N)Br 62a_100010146560_100000747473 [0,2,0,0,0,0|1,0,1]=4 2608 B14R1.118 COc1c(cccc1SCC(=O)N)C 62a_100000747473_100010141385 [0,2,0,0,0,0|1,0,1]=4 2609 B14R1.118 COc1c(cccc1SCC(=O)N)C 62a_100010141385_100000747473 [0,2,0,0,0,0|1,0,1]=4 2610 B14R1.118 COc1c(cccc1SCC(=O)N)Cl 62a_100000747473_100010147678 [0,2,0,0,0,0|1,0,1]=4 2611 B14R1.118 COc1c(cccc1SCC(=O)N)Cl 62a_100010147678_100000747473 [0,2,0,0,0,0|1,0,1]=4 2612 B14R1.118 COc1c(cccc1SCC(=O)N)F 62a_100000747473_100009816759 [0,2,0,0,0,0|1,0,1]=4 2613 B14R1.118 COc1c(cccc1SCC(=O)N)F 62a_100009816759_100000747473 [0,2,0,0,0,0|1,0,1]=4 2614 B14R1.118 COc1c(cccc1SCC(=O)N)N 62a_100011935253_100000747473 [0,2,0,0,0,0|1,0,1]=4 2615 B14R1.118 COc1c(cccc1SCC(=O)N)O 62a_100000747473_100010234590 [0,2,0,0,0,0|1,0,1]=4 2616 B14R1.118 COc1c(cccc1SCC(=O)[O-])Br 62a_100010146560_100020667443 [0,2,0,0,0,0|1,0,1]=4 2617 B14R1.118 COc1c(cccc1SCC(=O)[O-])Br 62a_100020667443_100010146560 [0,2,0,0,0,0|1,0,1]=4 2618 B14R1.118 COc1c(cccc1SCC(=O)[O-])C 62a_100010141385_100020667443 [0,2,0,0,0,0|1,0,1]=4 2619 B14R1.118 COc1c(cccc1SCC(=O)[O-])C 62a_100020667443_100010141385 [0,2,0,0,0,0|1,0,1]=4 2620 B14R1.118 COc1c(cccc1SCC(=O)[O-])Cl 62a_100010147678_100020667443 [0,2,0,0,0,0|1,0,1]=4 2621 B14R1.118 COc1c(cccc1SCC(=O)[O-])Cl 62a_100020667443_100010147678 [0,2,0,0,0,0|1,0,1]=4 2622 B14R1.118 COc1c(cccc1SCC(=O)[O-])F 62a_100009816759_100020667443 [0,2,0,0,0,0|1,0,1]=4 2623 B14R1.118 COc1c(cccc1SCC(=O)[O-])F 62a_100020667443_100009816759 [0,2,0,0,0,0|1,0,1]=4 2624 B14R1.118 COc1c(cccc1SCC(=O)[O-])N 62a_100011935253_100020667443 [0,2,0,0,0,0|1,0,1]=4 2625 B14R1.118 COc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100010234590 [0,2,0,0,0,0|1,0,1]=4 2626 B14R1.482 CC(=O)NCc1ccccc1OCF 34a_200011628774_100015361967 [0,2,0,0,0,0|1,0,1]=4 2627 B14R1.482 CC(=O)NCc1ccccc1OCF 7a_200011628774_100015361967 [0,2,0,0,0,0|1,0,1]=4 2628 B14R1.482 CCOc1ccccc1C=CC(=O)C 1458a_100016304775_200000210301 [0,2,0,0,0,0|0,0,0]=2 2629 B14R1.482 CCOc1ccccc1C=CC(=O)[13CH3] 1458a_100016304775_200025704644 [0,2,0,0,0,0|0,0,0]=2 2630 B14R1.482 CCOc1ccccc1C=CC(C)C 271570a_100016257149_100000230754 [0,2,0,0,0,0|1,0,1]=4 2631 B14R1.482 CCOc1ccccc1C=CC(C)O 271570a_200011019289_100000230754 [0,2,0,0,0,0|0,0,2]=4 2632 B14R1.482 CCOc1ccccc1CCC(=O)C 1458a_100000198557_200000210301 [0,2,0,0,0,0|0,0,2]=4 2633 B14R1.482 CCOc1ccccc1CCC(=O)N 34a_100011200845_100000210202 [0,2,0,0,0,0|0,0,2]=4 2634 B14R1.482 CCOc1ccccc1CCC(=O)N 7a_100011200845_100000210202 [0,2,0,0,0,0|0,0,2]=4 2635 B14R1.482 CCOc1ccccc1CCC(=O)[13CH3] 1458a_100000198557_200025704644 [0,2,0,0,0,0|0,0,2]=4 2636 B14R1.482 CCOc1ccccc1CNC(=O)C 11a_100000188671_100015343762 [0,2,0,0,0,0|1,0,1]=4 2637 B14R1.482 CCOc1ccccc1CNC(=O)C 1626a_100000188671_100015343762 [0,2,0,0,0,0|1,0,1]=4 2638 B14R1.482 CCOc1ccccc1CNC(=O)C 240690a_100000188671_100015343762 [0,2,0,0,0,0|1,0,1]=4 2639 B14R1.482 CCOc1ccccc1CNC(=O)C 34a_200011628774_100000210202 [0,2,0,0,0,0|1,0,1]=4 2640 B14R1.482 CCOc1ccccc1CNC(=O)C 527a_100000188671_100103153847 [0,2,0,0,0,0|1,0,1]=4 2641 B14R1.482 CCOc1ccccc1CNC(=O)C 7a_200011628774_100000210202 [0,2,0,0,0,0|1,0,1]=4 2642 B14R1.482 CCOc1ccccc1NCC(=O)N 34a_100000211218_100000187820 [0,2,0,0,0,0|1,0,1]=4 2643 B14R1.482 CCOc1ccccc1NCC(=O)[O-] 34a_100000211218_100020667443 [0,2,0,0,0,0|1,0,1]=4 2644 B14R1.482 CCOc1ccccc1NNC(=O)C 22a_200020603589_100000070787 [0,2,0,0,0,0|2,0,0]=4 2645 B14R1.482 CCOc1ccccc1OCC(=O)C 1458a_100000182497_200000210301 [0,2,0,0,0,0|1,0,1]=4 2646 B14R1.482 CCOc1ccccc1OCC(=O)N 34a_100000211404_100000187820 [0,2,0,0,0,0|1,0,1]=4 2647 B14R1.482 CCOc1ccccc1OCC(=O)N 7a_100000162348_100000210202 [0,2,0,0,0,0|1,0,1]=4 2648 B14R1.482 CCOc1ccccc1OCC(=O)N 7a_100000211404_100000187820 [0,2,0,0,0,0|1,0,1]=4 2649 B14R1.482 CCOc1ccccc1OCC(=O)[13CH3] 1458a_100000182497_200025704644 [0,2,0,0,0,0|1,0,1]=4 2650 B14R1.482 CCOc1ccccc1OCC(=O)[O-] 34a_100000211404_100020667443 [0,2,0,0,0,0|1,0,1]=4 2651 B14R1.482 CCOc1ccccc1SCC(=O)N 62a_100000230754_100000747473 [0,2,0,0,0,0|1,0,1]=4 2652 B14R1.482 CCOc1ccccc1SCC(=O)N 62a_100000747473_100000230754 [0,2,0,0,0,0|1,0,1]=4 2653 B14R1.482 CCOc1ccccc1SCC(=O)[O-] 62a_100000230754_100020667443 [0,2,0,0,0,0|1,0,1]=4 2654 B14R1.482 CCOc1ccccc1SCC(=O)[O-] 62a_100020667443_100000230754 [0,2,0,0,0,0|1,0,1]=4 2655 B14R1.482 COCc1ccccc1C=CC(C)C 271570a_100016257149_100011493684 [0,2,0,0,0,0|1,0,1]=4 2656 B14R1.482 COCc1ccccc1C=CC(C)O 271570a_200011019289_100011493684 [0,2,0,0,0,0|0,0,2]=4 2657 B14R1.482 COCc1ccccc1OCC(=O)N 34a_100011488565_100000187820 [0,2,0,0,0,0|1,0,1]=4 2658 B14R1.482 COCc1ccccc1OCC(=O)N 7a_100011488565_100000187820 [0,2,0,0,0,0|1,0,1]=4 2659 B14R1.482 COCc1ccccc1OCC(=O)[O-] 34a_100011488565_100020667443 [0,2,0,0,0,0|1,0,1]=4 2660 B14R1.482 COCc1ccccc1SCC(=O)N 62a_100000747473_100011493684 [0,2,0,0,0,0|1,0,1]=4 2661 B14R1.482 COCc1ccccc1SCC(=O)N 62a_100011493684_100000747473 [0,2,0,0,0,0|1,0,1]=4 2662 B14R1.482 COCc1ccccc1SCC(=O)[O-] 62a_100011493684_100020667443 [0,2,0,0,0,0|1,0,1]=4 2663 B14R1.482 COCc1ccccc1SCC(=O)[O-] 62a_100020667443_100011493684 [0,2,0,0,0,0|1,0,1]=4 2664 B14R1.482 NC(=O)CCc1ccccc1OCF 34a_100011200845_100015361967 [0,2,0,0,0,0|0,0,2]=4 2665 B14R1.482 NC(=O)CCc1ccccc1OCF 7a_100011200845_100015361967 [0,2,0,0,0,0|0,0,2]=4 2666 B14R1.482 NC(=O)COc1ccccc1OCF 7a_100000162348_100015361967 [0,2,0,0,0,0|1,0,1]=4 2667 B14R1.840 C=C(C)CC(=O)c1ccccc1OC 1458a_100000185835_100000748629 [0,2,0,0,0,0|1,0,1]=4 2668 B14R1.840 C=C(F)CC(=O)c1ccccc1OC 1458a_100000185835_100009893438 [0,2,0,0,0,0|1,0,1]=4 2669 B14R1.840 CC(=O)CC(=O)c1ccccc1S[13CH3] 62a_200011243946_200025704644 [0,2,0,0,0,0|0,1,1]=4 2670 B14R1.840 CCc1ccccc1C(=O)CC(=O)N 1458a_100000689120_100000187820 [0,2,0,0,0,0|1,0,1]=4 2671 B14R1.840 CCc1ccccc1C(=O)CC(=O)[O-] 1458a_100000689120_100020667443 [0,2,0,0,0,0|1,0,1]=4 2672 B14R1.840 COc1ccccc1C(=O)CC(=O)C 1458a_100000070787_100000195505 [0,2,0,0,0,0|0,0,1]=3 2673 B14R1.840 COc1ccccc1C(=O)CC(=O)N 1458a_100000185835_100000187820 [0,2,0,0,0,0|0,0,1]=3 2674 B14R1.840 COc1ccccc1C(=O)CC(=O)[O-] 1458a_100000185835_100020667443 [0,2,0,0,0,0|0,0,1]=3 2675 B14R1.840 COc1ccccc1C(=O)C[N+](=O)[O-] 1458a_100000185835_100000761209 [0,2,0,0,0,0|1,0,1]=4 2676 B14R1.840 COc1ccccc1C(C)NC(=O)C 11a_100000185323_100015343762 [0,2,0,0,0,0|1,0,1]=4 2677 B14R1.840 COc1ccccc1C(C)NC(=O)C 1626a_100000185323_100015343762 [0,2,0,0,0,0|1,0,1]=4 2678 B14R1.840 COc1ccccc1C(C)NC(=O)C 240690a_100000185323_100015343762 [0,2,0,0,0,0|1,0,1]=4 2679 B14R1.840 COc1ccccc1C(C)NC(=O)C 527a_100000185323_100103153847 [0,2,0,0,0,0|1,0,1]=4 2680 B14R1.840 COc1ccccc1N(C)CC(=O)N 2230a_100000219746_100000747473 [0,2,0,0,0,0|1,0,1]=4 2681 B14R1.840 COc1ccccc1N(C)CC(=O)N 269982a_100000219746_100000187820 [0,2,0,0,0,0|1,0,1]=4 2682 B14R1.840 COc1ccccc1N(C)CC(=O)N 34a_100000219746_100000187820 [0,2,0,0,0,0|1,0,1]=4 2683 B14R1.840 COc1ccccc1N(C)CC(=O)O 269956a_100000744073_200000210301 [0,2,0,0,0,0|1,0,1]=4 2684 B14R1.840 COc1ccccc1N(C)CC(=O)[O-] 269982a_100000219746_100020667443 [0,2,0,0,0,0|1,0,1]=4 2685 B14R1.840 COc1ccccc1N(C)CC(=O)[O-] 34a_100000219746_100020667443 [0,2,0,0,0,0|1,0,1]=4 2686 B14R1.840 COc1ccccc1N([13CH3])CC(=O)O 269956a_100000744073_200025704644 [0,2,0,0,0,0|1,0,1]=4 2687 B14R1.840 CSc1ccccc1C(=O)CC(=O)C 62a_200011243946_200000210301 [0,2,0,0,0,0|0,1,1]=4 2688 B14R1.840 CSc1ccccc1C(=O)CC(=O)N 1458a_100000183967_100000187820 [0,2,0,0,0,0|0,1,1]=4 2689 B14R1.840 CSc1ccccc1C(=O)CC(=O)[O-] 1458a_100000183967_100020667443 [0,2,0,0,0,0|0,1,1]=4 2690 B14R1.1865 COc1ccc(cc1C=CC(=O)C)Br 1458a_100016277830_200000210301 [0,2,0,0,0,0|0,0,0]=2 2691 B14R1.1865 COc1ccc(cc1C=CC(=O)C)C 1458a_100000702827_200000210301 [0,2,0,0,0,0|0,0,0]=2 2692 B14R1.1865 COc1ccc(cc1C=CC(=O)C)Cl 1458a_100000188112_200000210301 [0,2,0,0,0,0|0,0,0]=2 2693 B14R1.1865 COc1ccc(cc1C=CC(=O)C)F 1458a_100102526136_200000210301 [0,2,0,0,0,0|0,0,0]=2 2694 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])Br 1458a_100016277830_200025704644 [0,2,0,0,0,0|0,0,0]=2 2695 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])C 1458a_100000702827_200025704644 [0,2,0,0,0,0|0,0,0]=2 2696 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])Cl 1458a_100000188112_200025704644 [0,2,0,0,0,0|0,0,0]=2 2697 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])F 1458a_100102526136_200025704644 [0,2,0,0,0,0|0,0,0]=2 2698 B14R1.1865 COc1ccc(cc1C=CC(C)C)Br 271570a_100016257149_100012351588 [0,2,0,0,0,0|1,0,1]=4 2699 B14R1.1865 COc1ccc(cc1C=CC(C)C)C 271570a_100016257149_100000186399 [0,2,0,0,0,0|1,0,1]=4 2700 B14R1.1865 COc1ccc(cc1C=CC(C)C)Cl 271570a_100016257149_100011215930 [0,2,0,0,0,0|1,0,1]=4 2701 B14R1.1865 COc1ccc(cc1C=CC(C)C)F 271570a_100016257149_100000171694 [0,2,0,0,0,0|1,0,1]=4 2702 B14R1.1865 COc1ccc(cc1C=CC(C)C)N 271570a_100016257149_100000187427 [0,2,0,0,0,0|1,0,1]=4 2703 B14R1.1865 COc1ccc(cc1C=CC(C)C)O 271570a_100016257149_100010084122 [0,2,0,0,0,0|1,0,1]=4 2704 B14R1.1865 COc1ccc(cc1C=CC(C)O)Br 271570a_200011019289_100012351588 [0,2,0,0,0,0|0,0,2]=4 2705 B14R1.1865 COc1ccc(cc1C=CC(C)O)C 271570a_200011019289_100000186399 [0,2,0,0,0,0|0,0,2]=4 2706 B14R1.1865 COc1ccc(cc1C=CC(C)O)Cl 271570a_200011019289_100011215930 [0,2,0,0,0,0|0,0,2]=4 2707 B14R1.1865 COc1ccc(cc1C=CC(C)O)F 271570a_200011019289_100000171694 [0,2,0,0,0,0|0,0,2]=4 2708 B14R1.1865 COc1ccc(cc1C=CC(C)O)N 271570a_200011019289_100000187427 [0,2,0,0,0,0|0,0,2]=4 2709 B14R1.1865 COc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100010084122 [0,2,0,0,0,0|0,0,2]=4 2710 B14R1.1865 COc1ccc(cc1CCC(=O)C)Br 1458a_100000758749_200000210301 [0,2,0,0,0,0|0,0,2]=4 2711 B14R1.1865 COc1ccc(cc1CCC(=O)C)F 1458a_100012180723_200000210301 [0,2,0,0,0,0|0,0,2]=4 2712 B14R1.1865 COc1ccc(cc1CCC(=O)[13CH3])Br 1458a_100000758749_200025704644 [0,2,0,0,0,0|0,0,2]=4 2713 B14R1.1865 COc1ccc(cc1CCC(=O)[13CH3])F 1458a_100012180723_200025704644 [0,2,0,0,0,0|0,0,2]=4 2714 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 11a_100000690498_100015343762 [0,2,0,0,0,0|1,0,1]=4 2715 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 1626a_100000690498_100015343762 [0,2,0,0,0,0|1,0,1]=4 2716 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 240690a_100000690498_100015343762 [0,2,0,0,0,0|1,0,1]=4 2717 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 527a_100000690498_100103153847 [0,2,0,0,0,0|1,0,1]=4 2718 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 11a_100000740580_100015343762 [0,2,0,0,0,0|1,0,1]=4 2719 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 1626a_100000740580_100015343762 [0,2,0,0,0,0|1,0,1]=4 2720 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 240690a_100000740580_100015343762 [0,2,0,0,0,0|1,0,1]=4 2721 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 527a_100000740580_100103153847 [0,2,0,0,0,0|1,0,1]=4 2722 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 11a_100011199032_100015343762 [0,2,0,0,0,0|1,0,1]=4 2723 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 1626a_100011199032_100015343762 [0,2,0,0,0,0|1,0,1]=4 2724 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 240690a_100011199032_100015343762 [0,2,0,0,0,0|1,0,1]=4 2725 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 527a_100011199032_100103153847 [0,2,0,0,0,0|1,0,1]=4 2726 B14R1.1865 COc1ccc(cc1NCC(=O)N)Br 34a_100000743470_100000187820 [0,2,0,0,0,0|1,0,1]=4 2727 B14R1.1865 COc1ccc(cc1NCC(=O)N)C 2230a_100000210980_100000747473 [0,2,0,0,0,0|1,0,1]=4 2728 B14R1.1865 COc1ccc(cc1NCC(=O)N)C 34a_100000210980_100000187820 [0,2,0,0,0,0|1,0,1]=4 2729 B14R1.1865 COc1ccc(cc1NCC(=O)N)Cl 34a_100000182114_100000187820 [0,2,0,0,0,0|1,0,1]=4 2730 B14R1.1865 COc1ccc(cc1NCC(=O)N)F 34a_100000757179_100000187820 [0,2,0,0,0,0|1,0,1]=4 2731 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])Br 34a_100000743470_100020667443 [0,2,0,0,0,0|1,0,1]=4 2732 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])C 34a_100000210980_100020667443 [0,2,0,0,0,0|1,0,1]=4 2733 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])Cl 34a_100000182114_100020667443 [0,2,0,0,0,0|1,0,1]=4 2734 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])F 34a_100000757179_100020667443 [0,2,0,0,0,0|1,0,1]=4 2735 B14R1.1865 COc1ccc(cc1NNC(=O)C)Cl 22a_100020603255_100000070787 [0,2,0,0,0,0|2,0,0]=4 2736 B14R1.1865 COc1ccc(cc1OCC(=O)N)Br 34a_100009816560_100000187820 [0,2,0,0,0,0|1,0,1]=4 2737 B14R1.1865 COc1ccc(cc1OCC(=O)N)Br 7a_100009816560_100000187820 [0,2,0,0,0,0|1,0,1]=4 2738 B14R1.1865 COc1ccc(cc1OCC(=O)N)C 34a_100011216497_100000187820 [0,2,0,0,0,0|1,0,1]=4 2739 B14R1.1865 COc1ccc(cc1OCC(=O)N)C 7a_100011216497_100000187820 [0,2,0,0,0,0|1,0,1]=4 2740 B14R1.1865 COc1ccc(cc1OCC(=O)N)Cl 34a_100000101779_100000187820 [0,2,0,0,0,0|1,0,1]=4 2741 B14R1.1865 COc1ccc(cc1OCC(=O)N)Cl 7a_100000101779_100000187820 [0,2,0,0,0,0|1,0,1]=4 2742 B14R1.1865 COc1ccc(cc1OCC(=O)N)F 34a_100000034962_100000187820 [0,2,0,0,0,0|1,0,1]=4 2743 B14R1.1865 COc1ccc(cc1OCC(=O)N)F 7a_100000034962_100000187820 [0,2,0,0,0,0|1,0,1]=4 2744 B14R1.1865 COc1ccc(cc1OCC(=O)N)N 34a_100000211920_100000187820 [0,2,0,0,0,0|1,0,1]=4 2745 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])Br 34a_100009816560_100020667443 [0,2,0,0,0,0|1,0,1]=4 2746 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])C 34a_100011216497_100020667443 [0,2,0,0,0,0|1,0,1]=4 2747 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])Cl 34a_100000101779_100020667443 [0,2,0,0,0,0|1,0,1]=4 2748 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])F 34a_100000034962_100020667443 [0,2,0,0,0,0|1,0,1]=4 2749 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])N 34a_100000211920_100020667443 [0,2,0,0,0,0|1,0,1]=4 2750 B14R1.1865 COc1ccc(cc1SCC(=O)N)Br 62a_100000747473_100012351588 [0,2,0,0,0,0|1,0,1]=4 2751 B14R1.1865 COc1ccc(cc1SCC(=O)N)Br 62a_100012351588_100000747473 [0,2,0,0,0,0|1,0,1]=4 2752 B14R1.1865 COc1ccc(cc1SCC(=O)N)C 62a_100000186399_100000747473 [0,2,0,0,0,0|1,0,1]=4 2753 B14R1.1865 COc1ccc(cc1SCC(=O)N)C 62a_100000747473_100000186399 [0,2,0,0,0,0|1,0,1]=4 2754 B14R1.1865 COc1ccc(cc1SCC(=O)N)Cl 62a_100000747473_100011215930 [0,2,0,0,0,0|1,0,1]=4 2755 B14R1.1865 COc1ccc(cc1SCC(=O)N)Cl 62a_100011215930_100000747473 [0,2,0,0,0,0|1,0,1]=4 2756 B14R1.1865 COc1ccc(cc1SCC(=O)N)F 62a_100000171694_100000747473 [0,2,0,0,0,0|1,0,1]=4 2757 B14R1.1865 COc1ccc(cc1SCC(=O)N)F 62a_100000747473_100000171694 [0,2,0,0,0,0|1,0,1]=4 2758 B14R1.1865 COc1ccc(cc1SCC(=O)N)N 62a_100000747473_100011356947 [0,2,0,0,0,0|1,0,1]=4 2759 B14R1.1865 COc1ccc(cc1SCC(=O)N)N 62a_100011356947_100000747473 [0,2,0,0,0,0|1,0,1]=4 2760 B14R1.1865 COc1ccc(cc1SCC(=O)N)O 62a_100000747473_100010234764 [0,2,0,0,0,0|1,0,1]=4 2761 B14R1.1865 COc1ccc(cc1SCC(=O)N)O 62a_100010234764_100000747473 [0,2,0,0,0,0|1,0,1]=4 2762 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Br 62a_100012351588_100020667443 [0,2,0,0,0,0|1,0,1]=4 2763 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Br 62a_100020667443_100012351588 [0,2,0,0,0,0|1,0,1]=4 2764 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])C 62a_100000186399_100020667443 [0,2,0,0,0,0|1,0,1]=4 2765 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])C 62a_100020667443_100000186399 [0,2,0,0,0,0|1,0,1]=4 2766 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Cl 62a_100011215930_100020667443 [0,2,0,0,0,0|1,0,1]=4 2767 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Cl 62a_100020667443_100011215930 [0,2,0,0,0,0|1,0,1]=4 2768 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])F 62a_100000171694_100020667443 [0,2,0,0,0,0|1,0,1]=4 2769 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])F 62a_100020667443_100000171694 [0,2,0,0,0,0|1,0,1]=4 2770 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])N 62a_100011356947_100020667443 [0,2,0,0,0,0|1,0,1]=4 2771 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])N 62a_100020667443_100011356947 [0,2,0,0,0,0|1,0,1]=4 2772 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])O 62a_100010234764_100020667443 [0,2,0,0,0,0|1,0,1]=4 2773 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100010234764 [0,2,0,0,0,0|1,0,1]=4 2774 B14R1.2172 COc1cccc(c1C=CC(C)C)Br 271570a_100016257149_100010131421 [0,2,0,0,0,0|1,0,1]=4 2775 B14R1.2172 COc1cccc(c1C=CC(C)C)F 271570a_100016257149_100000041735 [0,2,0,0,0,0|1,0,1]=4 2776 B14R1.2172 COc1cccc(c1C=CC(C)C)N 271570a_100016257149_100000703447 [0,2,0,0,0,0|1,0,1]=4 2777 B14R1.2172 COc1cccc(c1C=CC(C)C)O 271570a_100016257149_100010202623 [0,2,0,0,0,0|1,0,1]=4 2778 B14R1.2172 COc1cccc(c1C=CC(C)O)Br 271570a_200011019289_100010131421 [0,2,0,0,0,0|0,0,2]=4 2779 B14R1.2172 COc1cccc(c1C=CC(C)O)F 271570a_200011019289_100000041735 [0,2,0,0,0,0|0,0,2]=4 2780 B14R1.2172 COc1cccc(c1C=CC(C)O)N 271570a_200011019289_100000703447 [0,2,0,0,0,0|0,0,2]=4 2781 B14R1.2172 COc1cccc(c1C=CC(C)O)O 271570a_200011019289_100010202623 [0,2,0,0,0,0|0,0,2]=4 2782 B14R1.2172 COc1cccc(c1CNC(=O)C)F 11a_100016992011_100015343762 [0,2,0,0,0,0|1,0,1]=4 2783 B14R1.2172 COc1cccc(c1CNC(=O)C)F 1626a_100016992011_100015343762 [0,2,0,0,0,0|1,0,1]=4 2784 B14R1.2172 COc1cccc(c1CNC(=O)C)F 240690a_100016992011_100015343762 [0,2,0,0,0,0|1,0,1]=4 2785 B14R1.2172 COc1cccc(c1CNC(=O)C)F 527a_100016992011_100103153847 [0,2,0,0,0,0|1,0,1]=4 2786 B14R1.2172 COc1cccc(c1NCC(=O)N)Br 34a_100000708083_100000187820 [0,2,0,0,0,0|1,0,1]=4 2787 B14R1.2172 COc1cccc(c1NCC(=O)N)C 2230a_100000758225_100000747473 [0,2,0,0,0,0|1,0,1]=4 2788 B14R1.2172 COc1cccc(c1NCC(=O)N)C 34a_100000758225_100000187820 [0,2,0,0,0,0|1,0,1]=4 2789 B14R1.2172 COc1cccc(c1NCC(=O)N)Cl 34a_100011309317_100000187820 [0,2,0,0,0,0|1,0,1]=4 2790 B14R1.2172 COc1cccc(c1NCC(=O)N)F 34a_100000686744_100000187820 [0,2,0,0,0,0|1,0,1]=4 2791 B14R1.2172 COc1cccc(c1NCC(=O)N)O 34a_100012022766_100000187820 [0,2,0,0,0,0|1,0,1]=4 2792 B14R1.2172 COc1cccc(c1NCC(=O)[O-])Br 34a_100000708083_100020667443 [0,2,0,0,0,0|1,0,1]=4 2793 B14R1.2172 COc1cccc(c1NCC(=O)[O-])C 34a_100000758225_100020667443 [0,2,0,0,0,0|1,0,1]=4 2794 B14R1.2172 COc1cccc(c1NCC(=O)[O-])Cl 34a_100011309317_100020667443 [0,2,0,0,0,0|1,0,1]=4 2795 B14R1.2172 COc1cccc(c1NCC(=O)[O-])F 34a_100000686744_100020667443 [0,2,0,0,0,0|1,0,1]=4 2796 B14R1.2172 COc1cccc(c1NCC(=O)[O-])O 34a_100012022766_100020667443 [0,2,0,0,0,0|1,0,1]=4 2797 B14R1.2172 COc1cccc(c1OCC(=O)N)Br 34a_100000686866_100000187820 [0,2,0,0,0,0|1,0,1]=4 2798 B14R1.2172 COc1cccc(c1OCC(=O)N)C 34a_100011219253_100000187820 [0,2,0,0,0,0|1,0,1]=4 2799 B14R1.2172 COc1cccc(c1OCC(=O)N)C 7a_100011219253_100000187820 [0,2,0,0,0,0|1,0,1]=4 2800 B14R1.2172 COc1cccc(c1OCC(=O)N)Cl 34a_100009851661_100000187820 [0,2,0,0,0,0|1,0,1]=4 2801 B14R1.2172 COc1cccc(c1OCC(=O)N)Cl 7a_100009851661_100000187820 [0,2,0,0,0,0|1,0,1]=4 2802 B14R1.2172 COc1cccc(c1OCC(=O)N)F 34a_100000036725_100000187820 [0,2,0,0,0,0|1,0,1]=4 2803 B14R1.2172 COc1cccc(c1OCC(=O)N)F 7a_100000036725_100000187820 [0,2,0,0,0,0|1,0,1]=4 2804 B14R1.2172 COc1cccc(c1OCC(=O)N)N 34a_100000123586_100000187820 [0,2,0,0,0,0|1,0,1]=4 2805 B14R1.2172 COc1cccc(c1OCC(=O)[O-])Br 34a_100000686866_100020667443 [0,2,0,0,0,0|1,0,1]=4 2806 B14R1.2172 COc1cccc(c1OCC(=O)[O-])C 34a_100011219253_100020667443 [0,2,0,0,0,0|1,0,1]=4 2807 B14R1.2172 COc1cccc(c1OCC(=O)[O-])Cl 34a_100009851661_100020667443 [0,2,0,0,0,0|1,0,1]=4 2808 B14R1.2172 COc1cccc(c1OCC(=O)[O-])F 34a_100000036725_100020667443 [0,2,0,0,0,0|1,0,1]=4 2809 B14R1.2172 COc1cccc(c1OCC(=O)[O-])N 34a_100000123586_100020667443 [0,2,0,0,0,0|1,0,1]=4 2810 B14R1.2172 COc1cccc(c1SCC(=O)N)Br 62a_100000747473_100010131421 [0,2,0,0,0,0|1,0,1]=4 2811 B14R1.2172 COc1cccc(c1SCC(=O)N)Br 62a_100010131421_100000747473 [0,2,0,0,0,0|1,0,1]=4 2812 B14R1.2172 COc1cccc(c1SCC(=O)N)C 62a_100000747473_100010191535 [0,2,0,0,0,0|1,0,1]=4 2813 B14R1.2172 COc1cccc(c1SCC(=O)N)C 62a_100010191535_100000747473 [0,2,0,0,0,0|1,0,1]=4 2814 B14R1.2172 COc1cccc(c1SCC(=O)N)F 62a_100000703912_100000747473 [0,2,0,0,0,0|1,0,1]=4 2815 B14R1.2172 COc1cccc(c1SCC(=O)N)F 62a_100000747473_100000703912 [0,2,0,0,0,0|1,0,1]=4 2816 B14R1.2172 COc1cccc(c1SCC(=O)N)N 62a_100000703447_100000747473 [0,2,0,0,0,0|1,0,1]=4 2817 B14R1.2172 COc1cccc(c1SCC(=O)N)N 62a_100000747473_100000703447 [0,2,0,0,0,0|1,0,1]=4 2818 B14R1.2172 COc1cccc(c1SCC(=O)N)O 62a_100000747473_100010202623 [0,2,0,0,0,0|1,0,1]=4 2819 B14R1.2172 COc1cccc(c1SCC(=O)[O-])Br 62a_100010131421_100020667443 [0,2,0,0,0,0|1,0,1]=4 2820 B14R1.2172 COc1cccc(c1SCC(=O)[O-])Br 62a_100020667443_100010131421 [0,2,0,0,0,0|1,0,1]=4 2821 B14R1.2172 COc1cccc(c1SCC(=O)[O-])C 62a_100010191535_100020667443 [0,2,0,0,0,0|1,0,1]=4 2822 B14R1.2172 COc1cccc(c1SCC(=O)[O-])C 62a_100020667443_100010191535 [0,2,0,0,0,0|1,0,1]=4 2823 B14R1.2172 COc1cccc(c1SCC(=O)[O-])F 62a_100000703912_100020667443 [0,2,0,0,0,0|1,0,1]=4 2824 B14R1.2172 COc1cccc(c1SCC(=O)[O-])F 62a_100020667443_100000703912 [0,2,0,0,0,0|1,0,1]=4 2825 B14R1.2172 COc1cccc(c1SCC(=O)[O-])N 62a_100000703447_100020667443 [0,2,0,0,0,0|1,0,1]=4 2826 B14R1.2172 COc1cccc(c1SCC(=O)[O-])N 62a_100020667443_100000703447 [0,2,0,0,0,0|1,0,1]=4 2827 B14R1.2172 COc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100010202623 [0,2,0,0,0,0|1,0,1]=4 2828 B14R1.3135 C/C(=C\c1ccccc1O[13CH3])/[N+](=O)[O-] 34a_200039083493_200025704644 [0,2,0,0,0,0|1,0,0]=3 2829 B14R1.3135 C/C(=C\c1ccccc1O[13CH3])/[N+](=O)[O-] 7a_200039083493_200025704644 [0,2,0,0,0,0|1,0,0]=3 2830 B14R1.3135 C=C(Br)C(=O)Nc1ccccc1OC 11a_100000210025_100009813364 [0,2,0,0,0,0|2,0,0]=4 2831 B14R1.3135 C=C(Br)C(=O)Nc1ccccc1OC 1626a_100000210025_100009813364 [0,2,0,0,0,0|2,0,0]=4 2832 B14R1.3135 C=C(C)C(=O)Cc1ccccc1OC 1458a_100000185857_100000210004 [0,2,0,0,0,0|1,0,1]=4 2833 B14R1.3135 C=C(C)C(=O)Nc1ccccc1OC 11a_100000210025_100000185857 [0,2,0,0,0,0|2,0,0]=4 2834 B14R1.3135 C=C(C)C(=O)Nc1ccccc1OC 1626a_100000210025_100000185857 [0,2,0,0,0,0|2,0,0]=4 2835 B14R1.3135 C=C(C)C(=O)Nc1ccccc1OC 22a_100000210025_100000185857 [0,2,0,0,0,0|2,0,0]=4 2836 B14R1.3135 C=C(Cl)C(=O)Nc1ccccc1OC 11a_100000210025_100000039160 [0,2,0,0,0,0|2,0,0]=4 2837 B14R1.3135 C=C(Cl)C(=O)Nc1ccccc1OC 1626a_100000210025_100000039160 [0,2,0,0,0,0|2,0,0]=4 2838 B14R1.3135 C=C(Cl)C(=O)Nc1ccccc1OC 22a_100000210025_100000039160 [0,2,0,0,0,0|2,0,0]=4 2839 B14R1.3135 C=C(F)C(=O)Nc1ccccc1OC 11a_100000210025_100000036797 [0,2,0,0,0,0|2,0,0]=4 2840 B14R1.3135 C=C(F)C(=O)Nc1ccccc1OC 1626a_100000210025_100000036797 [0,2,0,0,0,0|2,0,0]=4 2841 B14R1.3135 C=C(F)C(=O)Nc1ccccc1OC 22a_100000210025_100000036797 [0,2,0,0,0,0|2,0,0]=4 2842 B14R1.3135 CCc1ccccc1NC(=O)C(=O)C 1458a_200011297324_200000210301 [0,2,0,0,0,0|2,0,0]=4 2843 B14R1.3135 CCc1ccccc1NC(=O)C(=O)N 22a_100000212081_100011215815 [0,2,0,0,0,0|2,0,0]=4 2844 B14R1.3135 CCc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297324_200025704644 [0,2,0,0,0,0|2,0,0]=4 2845 B14R1.3135 COc1ccccc1/C=C(\C)/[N+](=O)[O-] 34a_200039083493_200000210301 [0,2,0,0,0,0|1,0,0]=3 2846 B14R1.3135 COc1ccccc1/C=C(\C)/[N+](=O)[O-] 7a_200039083493_200000210301 [0,2,0,0,0,0|1,0,0]=3 2847 B14R1.3135 COc1ccccc1CN(C)C(=O)C 11a_100000184376_100015343762 [0,2,0,0,0,0|1,0,1]=4 2848 B14R1.3135 COc1ccccc1CN(C)C(=O)C 1626a_100000184376_100015343762 [0,2,0,0,0,0|1,0,1]=4 2849 B14R1.3135 COc1ccccc1CN(C)C(=O)C 240690a_100000184376_100015343762 [0,2,0,0,0,0|1,0,1]=4 2850 B14R1.3135 COc1ccccc1CN(C)C(=O)C 527a_100000184376_100103153847 [0,2,0,0,0,0|1,0,1]=4 2851 B14R1.3135 COc1ccccc1NC(=O)C(=O)C 1458a_200011297187_200000210301 [0,2,0,0,0,0|1,0,0]=3 2852 B14R1.3135 COc1ccccc1NC(=O)C(=O)N 22a_100000210025_100011215815 [0,2,0,0,0,0|1,0,0]=3 2853 B14R1.3135 COc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297187_200025704644 [0,2,0,0,0,0|1,0,0]=3 2854 B14R1.3135 COc1ccccc1NC(C)C(=O)N 34a_100000210025_100000702099 [0,2,0,0,0,0|1,0,1]=4 2855 B14R1.3135 COc1ccccc1NC(F)C(=O)N 34a_100000210025_100009813875 [0,2,0,0,0,0|1,0,1]=4 2856 B14R1.3135 COc1ccccc1NC(F)C(=O)[O-] 34a_100000210025_100020610796 [0,2,0,0,0,0|1,0,1]=4 2857 B14R1.3135 COc1ccccc1OC(C)C(=O)C 1458a_100000188836_200000210301 [0,2,0,0,0,0|1,0,1]=4 2858 B14R1.3135 COc1ccccc1OC(C)C(=O)N 34a_100000210385_100000702099 [0,2,0,0,0,0|1,0,1]=4 2859 B14R1.3135 COc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000188836_200025704644 [0,2,0,0,0,0|1,0,1]=4 2860 B14R1.3135 COc1ccccc1OC(F)C(=O)N 34a_100000210385_100009813875 [0,2,0,0,0,0|1,0,1]=4 2861 B14R1.3135 COc1ccccc1OC(F)C(=O)[O-] 34a_100000210385_100020610796 [0,2,0,0,0,0|1,0,1]=4 2862 B14R1.3135 COc1ccccc1SC(C)C(=O)C 62a_100000210334_100009814033 [0,2,0,0,0,0|1,0,1]=4 2863 B14R1.3135 COc1ccccc1SC(C)C(=O)C 62a_100009814033_100000210334 [0,2,0,0,0,0|1,0,1]=4 2864 B14R1.3135 COc1ccccc1SC(C)C(=O)N 62a_100000210334_100000702099 [0,2,0,0,0,0|1,0,1]=4 2865 B14R1.3135 COc1ccccc1SC(C)C(=O)N 62a_100000702099_100000210334 [0,2,0,0,0,0|1,0,1]=4 2866 B14R1.3135 COc1ccccc1SC(F)C(=O)N 62a_100000210334_100009813875 [0,2,0,0,0,0|1,0,1]=4 2867 B14R1.3135 COc1ccccc1SC(F)C(=O)N 62a_100009813875_100000210334 [0,2,0,0,0,0|1,0,1]=4 2868 B14R1.3135 COc1ccccc1SC(F)C(=O)[O-] 62a_100000210334_100020610796 [0,2,0,0,0,0|1,0,1]=4 2869 B14R1.3135 COc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210334 [0,2,0,0,0,0|1,0,1]=4 2870 B14R1.3135 CSc1ccccc1NC(=O)C(=O)N 22a_100000211160_100011215815 [0,2,0,0,0,0|1,1,0]=4 2871 B14R1.4522 CC(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200000210301 [0,2,0,0,0,0|2,0,0]=4 2872 B14R1.4522 [13CH3]C(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200025704644 [0,2,0,0,0,0|2,0,0]=4 2873 B14R1.95 C=CC(=O)N(C)c1ccccc1OC 1626a_100000219746_100000185746 [0,2,0,0,0,0|2,0,0]=4 2874 B14R1.95 C=CC(=O)N(C)c1ccccc1OC 22a_100000219746_100000185746 [0,2,0,0,0,0|2,0,0]=4 2875 B14R1.483 C=CC(=O)Nc1ccccc1OCC 1626a_100000211218_100000185746 [0,2,0,0,0,0|2,0,0]=4 2876 B14R1.483 C=CC(=O)Nc1ccccc1OCC 22a_100000211218_100000185746 [0,2,0,0,0,0|2,0,0]=4 2877 B14R1.2178 C=CC(=O)Cc1c(cccc1OC)Cl 1458a_100000185746_100012349678 [0,2,0,0,0,0|1,0,1]=4 2878 B14R1.2178 C=CC(=O)Cc1c(cccc1OC)F 1458a_100000185746_100011216731 [0,2,0,0,0,0|1,0,1]=4 2879 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Br 1626a_100000708083_100000185746 [0,2,0,0,0,0|2,0,0]=4 2880 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Br 22a_100000708083_100000185746 [0,2,0,0,0,0|2,0,0]=4 2881 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000185746 [0,2,0,0,0,0|2,0,0]=4 2882 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000185746 [0,2,0,0,0,0|2,0,0]=4 2883 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Cl 1626a_100011309317_100000185746 [0,2,0,0,0,0|2,0,0]=4 2884 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Cl 22a_100011309317_100000185746 [0,2,0,0,0,0|2,0,0]=4 2885 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)F 1626a_100000686744_100000185746 [0,2,0,0,0,0|2,0,0]=4 2886 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)F 22a_100000686744_100000185746 [0,2,0,0,0,0|2,0,0]=4 2887 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)I 1626a_100010253897_100000185746 [0,2,0,0,0,0|2,0,0]=4 2888 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)O 22a_100012022766_100000185746 [0,2,0,0,0,0|2,0,0]=4 2889 B14R1.3136 COc1ccccc1NC(C=O)C=O 34a_100000210025_100000736813 [0,2,0,0,0,0|1,0,1]=4 2890 B14R1.3136 COc1ccccc1OC(C=O)C=O 34a_100000210385_100000736813 [0,2,0,0,0,0|1,0,1]=4 2891 B14R1.3136 COc1ccccc1SC(C=O)C=O 62a_100000210334_100000736813 [0,2,0,0,0,0|1,0,1]=4 2892 B14R1.3136 COc1ccccc1SC(C=O)C=O 62a_100000736813_100000210334 [0,2,0,0,0,0|1,0,1]=4 2893 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)Br 1458a_100000185746_100000204665 [0,2,0,0,0,0|1,0,1]=4 2894 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)C 1458a_100000185746_100000199068 [0,2,0,0,0,0|1,0,1]=4 2895 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)Cl 1458a_100000185746_100000209806 [0,2,0,0,0,0|1,0,1]=4 2896 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)F 1458a_100000185746_100011830354 [0,2,0,0,0,0|1,0,1]=4 2897 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Br 1626a_100000743470_100000185746 [0,2,0,0,0,0|2,0,0]=4 2898 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Br 22a_100000743470_100000185746 [0,2,0,0,0,0|2,0,0]=4 2899 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)C 1626a_100000210980_100000185746 [0,2,0,0,0,0|2,0,0]=4 2900 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)C 22a_100000210980_100000185746 [0,2,0,0,0,0|2,0,0]=4 2901 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Cl 1626a_100000182114_100000185746 [0,2,0,0,0,0|2,0,0]=4 2902 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Cl 22a_100000182114_100000185746 [0,2,0,0,0,0|2,0,0]=4 2903 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)F 1626a_100000757179_100000185746 [0,2,0,0,0,0|2,0,0]=4 2904 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)F 22a_100000757179_100000185746 [0,2,0,0,0,0|2,0,0]=4 2905 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)I 1626a_100011249504_100000185746 [0,2,0,0,0,0|2,0,0]=4 2906 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)I 22a_100011249504_100000185746 [0,2,0,0,0,0|2,0,0]=4 2907 B14R1.3279 COc1ccc(cc1C=C(C)C#N)Br 6a_100000170026_200000212204 [0,2,0,0,0,0|1,0,1]=4 2908 B14R1.3279 COc1ccc(cc1C=C(C)C#N)F 6a_100000722865_200000212204 [0,2,0,0,0,0|1,0,1]=4 2909 B14R1.3279 COc1ccc(cc1C=C(C)C#N)I 6a_100011266407_200000212204 [0,2,0,0,0,0|1,0,1]=4 2910 B14R1.3279 COc1ccc(cc1C=C(F)C#N)Br 6a_100000170026_200000032654 [0,2,0,0,0,0|1,0,1]=4 2911 B14R1.3279 COc1ccc(cc1C=C(F)C#N)F 6a_100000722865_200000032654 [0,2,0,0,0,0|1,0,1]=4 2912 B14R1.3279 COc1ccc(cc1C=C(F)C#N)I 6a_100011266407_200000032654 [0,2,0,0,0,0|1,0,1]=4 2913 B14R1.3995 C=CC(=O)Cc1cccc(c1OC)Br 1458a_100000185746_100011470457 [0,2,0,0,0,0|1,0,1]=4 2914 B14R1.3995 C=CC(=O)Cc1cccc(c1OC)C 1458a_100000185746_100012349798 [0,2,0,0,0,0|1,0,1]=4 2915 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Br 1626a_100011935253_100000185746 [0,2,0,0,0,0|2,0,0]=4 2916 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Br 22a_100011935253_100000185746 [0,2,0,0,0,0|2,0,0]=4 2917 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)C 1626a_100012017360_100000185746 [0,2,0,0,0,0|2,0,0]=4 2918 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)C 22a_100012017360_100000185746 [0,2,0,0,0,0|2,0,0]=4 2919 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Cl 1626a_100000743799_100000185746 [0,2,0,0,0,0|2,0,0]=4 2920 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Cl 22a_100000743799_100000185746 [0,2,0,0,0,0|2,0,0]=4 2921 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)F 1626a_100011215007_100000185746 [0,2,0,0,0,0|2,0,0]=4 2922 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)F 22a_100011215007_100000185746 [0,2,0,0,0,0|2,0,0]=4 2923 B14R1.204 CCN(CC=O)c1ccccc1OC 2230a_100020603010_200015260668 [0,2,0,0,0,0|1,0,1]=4 2924 B14R1.204 CCN(CC=O)c1ccccc1OC 269982a_100020603010_200015260668 [0,2,0,0,0,0|1,0,1]=4 2925 B14R1.263 C=CCC(=O)c1ccccc1COC 1458a_100000737999_100000210623 [0,2,0,0,0,0|1,0,1]=4 2926 B14R1.263 C=CCC(=O)c1ccccc1OCC 1458a_100000211144_100000210623 [0,2,0,0,0,0|1,0,1]=4 2927 B14R1.599 C=CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210623 [0,2,0,0,0,0|1,0,1]=4 2928 B14R1.599 C=CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210623 [0,2,0,0,0,0|1,0,1]=4 2929 B14R1.599 C=CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210623 [0,2,0,0,0,0|1,0,1]=4 2930 B14R1.599 C=CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210623 [0,2,0,0,0,0|1,0,1]=4 2931 B14R1.599 C=CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210623 [0,2,0,0,0,0|1,0,1]=4 2932 B14R1.599 C=CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210623 [0,2,0,0,0,0|1,0,1]=4 2933 B14R1.7255 C=CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210623 [0,2,0,0,0,0|1,0,1]=4 2934 B14R1.7255 C=CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210623 [0,2,0,0,0,0|1,0,1]=4 2935 B14R1.7255 C=CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210623 [0,2,0,0,0,0|1,0,1]=4 2936 B14R1.7255 C=CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210623 [0,2,0,0,0,0|1,0,1]=4 2937 B14R1.7255 C=CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210623 [0,2,0,0,0,0|1,0,1]=4 2938 B14R1.7276 C=CCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000210623 [0,2,0,0,0,0|1,0,1]=4 2939 B14R1.7276 C=CCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210623 [0,2,0,0,0,0|1,0,1]=4 2940 B14R1.7276 C=CCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000210623 [0,2,0,0,0,0|1,0,1]=4 2941 B14R1.7276 C=CCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000210623 [0,2,0,0,0,0|1,0,1]=4 2942 B14R1.7276 C=CCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000210623 [0,2,0,0,0,0|1,0,1]=4 2943 B14R1.7276 C=CCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000210623 [0,2,0,0,0,0|1,0,1]=4 2944 B14R1.757 CCOc1ccc(cc1NCC=O)Br 2230a_100000751366_200015260668 [0,2,0,0,0,0|1,0,1]=4 2945 B14R1.757 CCOc1ccc(cc1NCC=O)Br 34a_100000751366_200009817547 [0,2,0,0,0,0|1,0,1]=4 2946 B14R1.757 CCOc1ccc(cc1NCC=O)C 2230a_100011202655_200015260668 [0,2,0,0,0,0|1,0,1]=4 2947 B14R1.757 CCOc1ccc(cc1NCC=O)C 34a_100011202655_200009817547 [0,2,0,0,0,0|1,0,1]=4 2948 B14R1.757 CCOc1ccc(cc1NCC=O)Cl 2230a_100000742605_200015260668 [0,2,0,0,0,0|1,0,1]=4 2949 B14R1.757 CCOc1ccc(cc1NCC=O)Cl 34a_100000742605_200009817547 [0,2,0,0,0,0|1,0,1]=4 2950 B14R1.757 CCOc1ccc(cc1SCC=O)C 62a_200000230997_200015260668 [0,2,0,0,0,0|1,0,1]=4 2951 B14R1.757 CCOc1ccc(cc1SCC=O)C 62a_200015260668_200000230997 [0,2,0,0,0,0|1,0,1]=4 2952 B14R1.757 CCOc1ccc(cc1SCC=O)F 62a_100000171695_200015260668 [0,2,0,0,0,0|1,0,1]=4 2953 B14R1.757 CCOc1ccc(cc1SCC=O)F 62a_200015260668_100000171695 [0,2,0,0,0,0|1,0,1]=4 2954 B14R1.757 COCc1ccc(cc1NCC=O)Br 34a_100013084866_200009817547 [0,2,0,0,0,0|1,0,1]=4 2955 B14R1.757 COCc1ccc(cc1NCC=O)Br 7a_100013084866_200015260668 [0,2,0,0,0,0|1,0,1]=4 2956 B14R1.786 CC(=O)Oc1ccccc1SCC=O 62a_100000051690_200015260668 [0,2,0,0,0,0|1,0,1]=4 2957 B14R1.786 CC(=O)Oc1ccccc1SCC=O 62a_200015260668_100000051690 [0,2,0,0,0,0|1,0,1]=4 2958 B14R1.786 CC(C)Oc1ccccc1NCC=O 2230a_100000739276_200015260668 [0,2,0,0,0,0|1,0,1]=4 2959 B14R1.786 CC(C)Oc1ccccc1NCC=O 34a_100000739276_200009817547 [0,2,0,0,0,0|1,0,1]=4 2960 B14R1.786 CC(C)Oc1ccccc1OCC=O 34a_100011218612_200009817547 [0,2,0,0,0,0|1,0,1]=4 2961 B14R1.786 CC(C)Oc1ccccc1OCC=O 7a_100011218612_200015260668 [0,2,0,0,0,0|1,0,1]=4 2962 B14R1.786 CC(C)Oc1ccccc1SCC=O 62a_100000173919_200015260668 [0,2,0,0,0,0|1,0,1]=4 2963 B14R1.786 CC(C)Oc1ccccc1SCC=O 62a_200015260668_100000173919 [0,2,0,0,0,0|1,0,1]=4 2964 B14R1.786 CC(C)Sc1ccccc1/C=C/C=O 62a_100000210206_200016268969 [0,2,0,0,0,0|0,1,0]=3 2965 B14R1.786 CC(C)Sc1ccccc1/C=C/C=O 62a_200016268969_100000210206 [0,2,0,0,0,0|0,1,0]=3 2966 B14R1.786 O=CCNc1ccccc1OC(F)F 2230a_100000182466_200015260668 [0,2,0,0,0,0|1,0,1]=4 2967 B14R1.786 O=CCNc1ccccc1OC(F)F 34a_100000182466_200009817547 [0,2,0,0,0,0|1,0,1]=4 2968 B14R1.786 O=CCOc1ccccc1OC(F)F 34a_100000752575_200009817547 [0,2,0,0,0,0|1,0,1]=4 2969 B14R1.786 O=CCOc1ccccc1OC(F)F 7a_100000752575_200015260668 [0,2,0,0,0,0|1,0,1]=4 2970 B14R1.786 O=CCSc1ccccc1OC(F)F 62a_100011263859_200015260668 [0,2,0,0,0,0|1,0,1]=4 2971 B14R1.786 O=CCSc1ccccc1OC(F)F 62a_200015260668_100011263859 [0,2,0,0,0,0|1,0,1]=4 2972 B14R1.787 C#CCOc1ccccc1NCC=O 34a_100000707309_200009817547 [0,2,0,0,0,0|1,0,1]=4 2973 B14R1.787 C#CCSc1ccccc1/C=C/C=O 62a_100000038162_200016268969 [0,2,0,0,0,0|0,1,0]=3 2974 B14R1.787 C=CCOc1ccccc1OCC=O 34a_200011262142_200009817547 [0,2,0,0,0,0|1,0,1]=4 2975 B14R1.787 C=CCOc1ccccc1OCC=O 7a_200011262142_200015260668 [0,2,0,0,0,0|1,0,1]=4 2976 B14R1.787 C=CCSc1ccccc1/C=C/C=O 62a_100000210623_200016268969 [0,2,0,0,0,0|0,1,0]=3 2977 B14R1.787 C=CCSc1ccccc1/C=C/C=O 62a_200016268969_100000210623 [0,2,0,0,0,0|0,1,0]=3 2978 B14R1.787 CCCOc1ccccc1NCC=O 34a_100000683936_200009817547 [0,2,0,0,0,0|1,0,1]=4 2979 B14R1.787 CCCOc1ccccc1OCC=O 34a_100000180214_200009817547 [0,2,0,0,0,0|1,0,1]=4 2980 B14R1.787 CCCOc1ccccc1OCC=O 7a_100000180214_200015260668 [0,2,0,0,0,0|1,0,1]=4 2981 B14R1.787 CCCOc1ccccc1SCC=O 62a_100000174042_200015260668 [0,2,0,0,0,0|1,0,1]=4 2982 B14R1.787 CCCOc1ccccc1SCC=O 62a_200015260668_100000174042 [0,2,0,0,0,0|1,0,1]=4 2983 B14R1.787 CCCSc1ccccc1/C=C/C=O 62a_100000210303_200016268969 [0,2,0,0,0,0|0,1,0]=3 2984 B14R1.787 CCCSc1ccccc1/C=C/C=O 62a_200016268969_100000210303 [0,2,0,0,0,0|0,1,0]=3 2985 B14R1.787 CCOCc1ccccc1SCC=O 62a_200011493690_200015260668 [0,2,0,0,0,0|1,0,1]=4 2986 B14R1.787 CCOCc1ccccc1SCC=O 62a_200015260668_200011493690 [0,2,0,0,0,0|1,0,1]=4 2987 B14R1.787 COCCc1ccccc1OCC=O 34a_100000722730_200009817547 [0,2,0,0,0,0|1,0,1]=4 2988 B14R1.787 COCCc1ccccc1OCC=O 7a_100000722730_200015260668 [0,2,0,0,0,0|1,0,1]=4 2989 B14R1.787 COCOc1ccccc1SCC=O 62a_200000230759_200015260668 [0,2,0,0,0,0|1,0,1]=4 2990 B14R1.787 COCOc1ccccc1SCC=O 62a_200015260668_200000230759 [0,2,0,0,0,0|1,0,1]=4 2991 B14R1.787 COCSc1ccccc1/C=C/C=O 62a_100000766300_200016268969 [0,2,0,0,0,0|0,0,0]=2 2992 B14R1.787 COCSc1ccccc1/C=C/C=O 62a_200016268969_100000766300 [0,2,0,0,0,0|0,0,0]=2 2993 B14R1.787 COCSc1ccccc1CCC=O 62a_100000766300_100011713448 [0,2,0,0,0,0|0,0,2]=4 2994 B14R1.787 COCSc1ccccc1CCC=O 62a_100011713448_100000766300 [0,2,0,0,0,0|0,0,2]=4 2995 B14R1.787 CSCSc1ccccc1/C=C/C=O 62a_100011218213_200016268969 [0,2,0,0,0,0|0,1,0]=3 2996 B14R1.787 CSCSc1ccccc1/C=C/C=O 62a_200016268969_100011218213 [0,2,0,0,0,0|0,1,0]=3 2997 B14R1.787 N#CCOc1ccccc1SCC=O 62a_200000173881_200015260668 [0,2,0,0,0,0|1,0,1]=4 2998 B14R1.787 N#CCOc1ccccc1SCC=O 62a_200015260668_200000173881 [0,2,0,0,0,0|1,0,1]=4 2999 B14R1.787 N#CCSc1ccccc1/C=C/C=O 62a_100011215382_200016268969 [0,2,0,0,0,0|0,1,0]=3 3000 B14R1.787 N#CCSc1ccccc1/C=C/C=O 62a_200016268969_100011215382 [0,2,0,0,0,0|0,1,0]=3 3001 B14R1.787 NCCOc1ccccc1SCC=O 62a_100000744007_200015260668 [0,2,0,0,0,0|1,0,1]=4 3002 B14R1.787 NCCOc1ccccc1SCC=O 62a_200015260668_100000744007 [0,2,0,0,0,0|1,0,1]=4 3003 B14R1.787 O=C/C=C/c1ccccc1SCC=O 62a_200015260668_200016268969 [0,2,0,0,0,0|0,1,0]=3 3004 B14R1.787 O=C/C=C/c1ccccc1SCC=O 62a_200016268969_200015260668 [0,2,0,0,0,0|0,1,0]=3 3005 B14R1.787 O=C/C=C/c1ccccc1SCCF 62a_100011217306_200016268969 [0,2,0,0,0,0|0,1,0]=3 3006 B14R1.787 O=C/C=C/c1ccccc1SCCF 62a_200016268969_100011217306 [0,2,0,0,0,0|0,1,0]=3 3007 B14R1.787 O=C/C=C/c1ccccc1SCCO 62a_100000211926_200016268969 [0,2,0,0,0,0|0,1,0]=3 3008 B14R1.787 O=C/C=C/c1ccccc1SCCO 62a_200016268969_100000211926 [0,2,0,0,0,0|0,1,0]=3 3009 B14R1.787 O=CCNc1ccccc1OCCF 34a_100012000959_200009817547 [0,2,0,0,0,0|1,0,1]=4 3010 B14R1.787 O=CCNc1ccccc1OCCO 34a_100132302172_200009817547 [0,2,0,0,0,0|1,0,1]=4 3011 B14R1.787 O=CCOc1ccccc1OCCO 34a_100000181789_200009817547 [0,2,0,0,0,0|1,0,1]=4 3012 B14R1.787 O=CCOc1ccccc1OCCO 7a_100000181789_200015260668 [0,2,0,0,0,0|1,0,1]=4 3013 B14R1.787 O=CCSc1ccccc1OCCO 62a_100000230753_200015260668 [0,2,0,0,0,0|1,0,1]=4 3014 B14R1.787 O=CCSc1ccccc1OCCO 62a_200015260668_100000230753 [0,2,0,0,0,0|1,0,1]=4 3015 B14R1.789 COC(=O)c1ccccc1OCC=O 7a_100000150335_200015260668 [0,2,0,0,0,0|1,0,1]=4 3016 B14R1.789 COC(=O)c1ccccc1SCC=O 62a_100000148710_200015260668 [0,2,0,0,0,0|1,0,1]=4 3017 B14R1.789 COC(=O)c1ccccc1SCC=O 62a_200015260668_100000148710 [0,2,0,0,0,0|1,0,1]=4 3018 B14R1.7359 CCOc1cccc(c1NCC=O)Br 34a_200103155331_200009817547 [0,2,0,0,0,0|1,0,1]=4 3019 B14R1.7359 CCOc1cccc(c1NCC=O)Cl 34a_100012284057_200009817547 [0,2,0,0,0,0|1,0,1]=4 3020 B14R1.7367 CCOc1c(cccc1NCC=O)Cl 2230a_100000744310_200015260668 [0,2,0,0,0,0|1,0,1]=4 3021 B14R1.7367 CCOc1c(cccc1NCC=O)Cl 34a_100000744310_200009817547 [0,2,0,0,0,0|1,0,1]=4 3022 B14R1.7367 CCOc1c(cccc1SCC=O)F 62a_100010232518_200015260668 [0,2,0,0,0,0|1,0,1]=4 3023 B14R1.7367 CCOc1c(cccc1SCC=O)F 62a_200015260668_100010232518 [0,2,0,0,0,0|1,0,1]=4 3024 B14R1.759 CCc1ccc(c(c1)NCC=O)OC 2230a_100012035449_200015260668 [0,2,0,0,0,0|1,0,1]=4 3025 B14R1.759 CCc1ccc(c(c1)NCC=O)OC 34a_100012035449_200009817547 [0,2,0,0,0,0|1,0,1]=4 3026 B14R1.759 CCc1ccc(c(c1)OCC=O)OC 34a_100009844796_200009817547 [0,2,0,0,0,0|1,0,1]=4 3027 B14R1.759 CCc1ccc(c(c1)OCC=O)OC 7a_100009844796_200015260668 [0,2,0,0,0,0|1,0,1]=4 3028 B14R1.759 CCc1ccc(c(c1)SCC=O)OC 62a_100010062400_200015260668 [0,2,0,0,0,0|1,0,1]=4 3029 B14R1.759 CCc1ccc(c(c1)SCC=O)OC 62a_200015260668_100010062400 [0,2,0,0,0,0|1,0,1]=4 3030 B14R1.759 CNc1ccc(c(c1)SCC=O)OC 62a_114948341033_200015260668 [0,2,0,0,0,0|1,0,1]=4 3031 B14R1.759 CNc1ccc(c(c1)SCC=O)OC 62a_200015260668_114948341033 [0,2,0,0,0,0|1,0,1]=4 3032 B14R1.759 COc1ccc(c(c1)NCC=O)OC 2230a_100000184736_200015260668 [0,2,0,0,0,0|1,0,1]=4 3033 B14R1.759 COc1ccc(c(c1)NCC=O)OC 34a_100000184736_200009817547 [0,2,0,0,0,0|1,0,1]=4 3034 B14R1.759 COc1ccc(c(c1)OCC=O)OC 34a_100000074795_200009817547 [0,2,0,0,0,0|1,0,1]=4 3035 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_100011215452_200015260668 [0,2,0,0,0,0|1,0,1]=4 3036 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_200015260668_100011215452 [0,2,0,0,0,0|1,0,1]=4 3037 B14R1.759 COc1ccc(cc1NCC=O)C#N 34a_100000747721_200009817547 [0,2,0,0,0,0|1,0,1]=4 3038 B14R1.759 COc1ccc(cc1NCC=O)C#N 7a_100000747721_200015260668 [0,2,0,0,0,0|1,0,1]=4 3039 B14R1.759 COc1ccc(cc1NCC=O)CO 2230a_100011269841_200015260668 [0,2,0,0,0,0|1,0,1]=4 3040 B14R1.759 COc1ccc(cc1NCC=O)CO 34a_100011269841_200009817547 [0,2,0,0,0,0|1,0,1]=4 3041 B14R1.759 COc1ccc(cc1OCC=O)C#N 34a_100000188611_200009817547 [0,2,0,0,0,0|1,0,1]=4 3042 B14R1.759 COc1ccc(cc1OCC=O)C#N 7a_100000188611_200015260668 [0,2,0,0,0,0|1,0,1]=4 3043 B14R1.759 COc1ccc(cc1OCC=O)CN 34a_100000740000_200009817547 [0,2,0,0,0,0|1,0,1]=4 3044 B14R1.759 COc1ccc(cc1OCC=O)CO 34a_100011215239_200009817547 [0,2,0,0,0,0|1,0,1]=4 3045 B14R1.759 COc1ccc(cc1SCC=O)C#N 62a_200015260668_100000188253 [0,2,0,0,0,0|1,0,1]=4 3046 B14R1.759 COc1ccc(cc1SCC=O)C=O 62a_100000173361_200015260668 [0,2,0,0,0,0|1,0,1]=4 3047 B14R1.759 COc1ccc(cc1SCC=O)C=O 62a_200015260668_100000173361 [0,2,0,0,0,0|1,0,1]=4 3048 B14R1.759 COc1ccc(cc1SCC=O)CN 62a_100159240714_200015260668 [0,2,0,0,0,0|1,0,1]=4 3049 B14R1.759 COc1ccc(cc1SCC=O)CN 62a_200015260668_100159240714 [0,2,0,0,0,0|1,0,1]=4 3050 B14R1.759 COc1ccc(cc1SCC=O)CO 62a_100000246451_200015260668 [0,2,0,0,0,0|1,0,1]=4 3051 B14R1.759 COc1ccc(cc1SCC=O)CO 62a_200015260668_100000246451 [0,2,0,0,0,0|1,0,1]=4 3052 B14R1.7434 COc1ccc(c(c1NCC=O)F)F 34a_100000061648_200009817547 [0,2,0,0,0,0|1,0,1]=4 3053 B14R1.7434 COc1ccc(c(c1OCC=O)F)F 34a_100000062125_200009817547 [0,2,0,0,0,0|1,0,1]=4 3054 B14R1.7434 COc1ccc(c(c1OCC=O)F)F 7a_100000062125_200015260668 [0,2,0,0,0,0|1,0,1]=4 3055 B14R1.7434 COc1ccc(c(c1SCC=O)F)F 62a_100010204329_200015260668 [0,2,0,0,0,0|1,0,1]=4 3056 B14R1.7434 COc1ccc(c(c1SCC=O)F)F 62a_200015260668_100010204329 [0,2,0,0,0,0|1,0,1]=4 3057 B14R1.7443 COc1c(cc(cc1NCC=O)Br)F 34a_200010245146_200009817547 [0,2,0,0,0,0|1,0,1]=4 3058 B14R1.7443 COc1c(cc(cc1NCC=O)C)F 34a_100009958095_200009817547 [0,2,0,0,0,0|1,0,1]=4 3059 B14R1.7443 COc1c(cc(cc1NCC=O)Cl)Br 34a_100000243884_200009817547 [0,2,0,0,0,0|1,0,1]=4 3060 B14R1.7443 COc1c(cc(cc1NCC=O)Cl)Cl 34a_100009871722_200009817547 [0,2,0,0,0,0|1,0,1]=4 3061 B14R1.7443 COc1c(cc(cc1NCC=O)F)Br 34a_100011190657_200009817547 [0,2,0,0,0,0|1,0,1]=4 3062 B14R1.7443 COc1c(cc(cc1NCC=O)F)F 34a_100000061580_200009817547 [0,2,0,0,0,0|1,0,1]=4 3063 B14R1.7443 COc1c(cc(cc1SCC=O)Br)N 62a_100015658936_200015260668 [0,2,0,0,0,0|1,0,1]=4 3064 B14R1.7443 COc1c(cc(cc1SCC=O)Br)N 62a_200015260668_100015658936 [0,2,0,0,0,0|1,0,1]=4 3065 B14R1.7443 COc1c(cc(cc1SCC=O)C)F 62a_200010713180_200015260668 [0,2,0,0,0,0|1,0,1]=4 3066 B14R1.7443 COc1c(cc(cc1SCC=O)C)F 62a_200015260668_200010713180 [0,2,0,0,0,0|1,0,1]=4 3067 B14R1.7443 COc1c(cc(cc1SCC=O)F)F 62a_100009813607_200015260668 [0,2,0,0,0,0|1,0,1]=4 3068 B14R1.7443 COc1c(cc(cc1SCC=O)F)F 62a_200015260668_100009813607 [0,2,0,0,0,0|1,0,1]=4 3069 B14R1.7443 COc1c(cc(cc1SCC=O)F)N 62a_100011190657_200015260668 [0,2,0,0,0,0|1,0,1]=4 3070 B14R1.7443 COc1c(cc(cc1SCC=O)F)N 62a_200015260668_100011190657 [0,2,0,0,0,0|1,0,1]=4 3071 B14R1.7443 COc1c(cc(cc1SCC=O)N)C 62a_100010071304_200015260668 [0,2,0,0,0,0|1,0,1]=4 3072 B14R1.7443 COc1c(cc(cc1SCC=O)N)C 62a_200015260668_100010071304 [0,2,0,0,0,0|1,0,1]=4 3073 B14R1.7443 COc1c(cc(cc1SCC=O)N)F 62a_200009816006_200015260668 [0,2,0,0,0,0|1,0,1]=4 3074 B14R1.7443 COc1c(cc(cc1SCC=O)N)F 62a_200015260668_200009816006 [0,2,0,0,0,0|1,0,1]=4 3075 B14R1.7360 COc1cccc(c1NCC=O)C#N 2230a_100000722693_200015260668 [0,2,0,0,0,0|1,0,1]=4 3076 B14R1.7360 COc1cccc(c1NCC=O)CO 34a_100011999522_200009817547 [0,2,0,0,0,0|1,0,1]=4 3077 B14R1.7360 COc1cccc(c1NCC=O)OC 2230a_100011218430_200015260668 [0,2,0,0,0,0|1,0,1]=4 3078 B14R1.7360 COc1cccc(c1NCC=O)OC 34a_100011218430_200009817547 [0,2,0,0,0,0|1,0,1]=4 3079 B14R1.7360 COc1cccc(c1NCC=O)SC 2230a_200012283368_200015260668 [0,2,0,0,0,0|1,0,1]=4 3080 B14R1.7360 COc1cccc(c1NCC=O)SC 34a_200012283368_200009817547 [0,2,0,0,0,0|1,0,1]=4 3081 B14R1.7360 COc1cccc(c1OCC=O)C#N 34a_100011934230_200009817547 [0,2,0,0,0,0|1,0,1]=4 3082 B14R1.7360 COc1cccc(c1OCC=O)CO 34a_100011218668_200009817547 [0,2,0,0,0,0|1,0,1]=4 3083 B14R1.7360 COc1cccc(c1OCC=O)OC 34a_100000211025_200009817547 [0,2,0,0,0,0|1,0,1]=4 3084 B14R1.7360 COc1cccc(c1SCC=O)C=O 62a_100010209554_200015260668 [0,2,0,0,0,0|1,0,1]=4 3085 B14R1.7360 COc1cccc(c1SCC=O)C=O 62a_200015260668_100010209554 [0,2,0,0,0,0|1,0,1]=4 3086 B14R1.7360 COc1cccc(c1SCC=O)CO 62a_100010236476_200015260668 [0,2,0,0,0,0|1,0,1]=4 3087 B14R1.7360 COc1cccc(c1SCC=O)CO 62a_200015260668_100010236476 [0,2,0,0,0,0|1,0,1]=4 3088 B14R1.7360 COc1cccc(c1SCC=O)OC 62a_100000690108_200015260668 [0,2,0,0,0,0|1,0,1]=4 3089 B14R1.7360 COc1cccc(c1SCC=O)OC 62a_200015260668_100000690108 [0,2,0,0,0,0|1,0,1]=4 3090 B14R1.7489 COc1c(ccc(c1NCC=O)F)F 34a_100009873038_200009817547 [0,2,0,0,0,0|1,0,1]=4 3091 B14R1.7489 COc1c(ccc(c1OCC=O)F)Br 34a_200010167157_200009817547 [0,2,0,0,0,0|1,0,1]=4 3092 B14R1.7489 COc1c(ccc(c1OCC=O)F)F 34a_100000118042_200009817547 [0,2,0,0,0,0|1,0,1]=4 3093 B14R1.7489 COc1c(ccc(c1OCC=O)F)F 7a_100000118042_200015260668 [0,2,0,0,0,0|1,0,1]=4 3094 B14R1.7489 COc1c(ccc(c1SCC=O)F)Br 62a_200015260668_200034458476 [0,2,0,0,0,0|1,0,1]=4 3095 B14R1.7489 COc1c(ccc(c1SCC=O)F)Br 62a_200034458476_200015260668 [0,2,0,0,0,0|1,0,1]=4 3096 B14R1.7489 COc1c(ccc(c1SCC=O)F)F 62a_100010254772_200015260668 [0,2,0,0,0,0|1,0,1]=4 3097 B14R1.7489 COc1c(ccc(c1SCC=O)F)F 62a_200015260668_100010254772 [0,2,0,0,0,0|1,0,1]=4 3098 B14R1.7489 COc1c(ccc(c1SCC=O)F)N 62a_102516457224_200015260668 [0,2,0,0,0,0|1,0,1]=4 3099 B14R1.7489 COc1c(ccc(c1SCC=O)F)N 62a_200015260668_102516457224 [0,2,0,0,0,0|1,0,1]=4 3100 B14R1.7368 COc1c(cccc1NCC=O)C#N 34a_100000128487_200009817547 [0,2,0,0,0,0|1,0,1]=4 3101 B14R1.7368 COc1c(cccc1OCC=O)C#N 34a_200009874251_200009817547 [0,2,0,0,0,0|1,0,1]=4 3102 B14R1.7368 COc1c(cccc1SCC=O)C#N 62a_200015260668_100009817008 [0,2,0,0,0,0|1,0,1]=4 3103 B14R1.7368 COc1c(cccc1SCC=O)C=O 62a_100000692592_200015260668 [0,2,0,0,0,0|1,0,1]=4 3104 B14R1.7368 COc1c(cccc1SCC=O)C=O 62a_200015260668_100000692592 [0,2,0,0,0,0|1,0,1]=4 3105 B14R1.7368 COc1c(cccc1SCC=O)CO 62a_100000704359_200015260668 [0,2,0,0,0,0|1,0,1]=4 3106 B14R1.7368 COc1c(cccc1SCC=O)CO 62a_200015260668_100000704359 [0,2,0,0,0,0|1,0,1]=4 3107 B14R1.7368 COc1cccc(c1OC)NCC=O 34a_100011217386_200009817547 [0,2,0,0,0,0|1,0,1]=4 3108 B14R1.7368 COc1cccc(c1OC)OCC=O 34a_100000032319_200009817547 [0,2,0,0,0,0|1,0,1]=4 3109 B14R1.7368 COc1cccc(c1OC)SCC=O 62a_200015260668_100010163134 [0,2,0,0,0,0|1,0,1]=4 3110 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,0,1,1,0,0|2,0,0]=4 3111 B12R1.280 CC=Cc1cccc(c1C)OC 271570a_100016259895_100010002647 [0,0,1,1,0,0|1,0,1]=4 3112 B12R1.280 CC=Cc1cccc(c1Cl)OC 271570a_100016259895_100010147677 [0,0,1,1,0,0|2,0,0]=4 3113 B12R1.280 CC=Cc1cccc(c1F)OC 271570a_100016259895_100010185846 [0,0,1,1,0,0|2,0,0]=4 3114 B12R1.280 CC=Cc1cccc(c1N)OC 271570a_100016259895_100000708083 [0,0,1,1,0,0|2,0,0]=4 3115 B12R1.280 CC=Cc1cccc(c1O)OC 271570a_100016259895_100000686866 [0,0,1,1,0,0|2,0,0]=4 3116 B12R1.450 COc1cc(c(cc1O)C=O)F 271570a_203496583355_100010244998 [0,0,1,1,0,0|2,0,0]=4 3117 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100000183646 [0,0,1,1,0,0|2,0,0]=4 3118 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100009998278 [0,0,1,1,0,0|2,0,0]=4 3119 B12R1.741 C=Cc1c(ccc(c1OC)Br)F 271570a_100011290941_200034458476 [0,0,1,1,0,0|2,0,0]=4 3120 B12R1.741 C=Cc1c(ccc(c1OC)F)F 271570a_100011290941_100010254772 [0,0,1,1,0,0|2,0,0]=4 3121 B12R1.741 C=Cc1c(ccc(c1OC)N)F 271570a_100011290941_102516457224 [0,0,1,1,0,0|2,0,0]=4 3122 B12R1.78 C=Cc1cc(ccc1C#N)OC 271570a_100011290941_100012355471 [0,0,1,1,0,0|1,0,1]=4 3123 B12R1.78 C=Cc1cc(ccc1C=O)C#N 271570a_100011290941_100012355658 [0,0,1,1,0,0|2,0,0]=4 3124 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [0,0,1,1,0,0|2,0,0]=4 3125 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [0,0,1,1,0,0|0,0,0]=2 3126 B12R1.78 C=Cc1cc(ccc1CO)OC 271570a_100011290941_100011982768 [0,0,1,1,0,0|0,0,2]=4 3127 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [0,0,1,1,0,0|2,0,0]=4 3128 B12R1.78 C=Cc1cc(cnc1C=O)OC 271570a_100011290941_200010135874 [0,0,1,1,0,0|1,0,0]=3 3129 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [0,0,1,1,0,0|2,0,0]=4 3130 B12R1.78 C=Cc1nc(ccc1C=O)OC 271570a_100011290941_100012351648 [0,0,1,1,0,0|1,0,0]=3 3131 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_100000723261_200000210301 [0,0,1,1,0,0|1,0,1]=4 3132 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_200000210301_100000723261 [0,0,1,1,0,0|1,0,1]=4 3133 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_100000723261_200025704644 [0,0,1,1,0,0|1,0,1]=4 3134 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100000723261 [0,0,1,1,0,0|1,0,1]=4 3135 B12R1.78 CSc1ccc(c(c1)C=O)C=O 62a_200010077131_200000210301 [0,0,1,1,0,0|1,1,0]=4 3136 B12R1.78 [13CH3]Sc1ccc(c(c1)C=O)C=O 62a_200010077131_200025704644 [0,0,1,1,0,0|1,1,0]=4 3137 B12R1.652 C=Cc1ccc(c(c1OC)F)C 271570a_100011290941_100010081143 [0,0,1,1,0,0|2,0,0]=4 3138 B12R1.652 C=Cc1ccc(c(c1OC)F)F 271570a_100011290941_100010223324 [0,0,1,1,0,0|2,0,0]=4 3139 B12R1.652 C=Cc1ccc(c(c1OC)O)F 271570a_100011290941_200010167157 [0,0,1,1,0,0|2,0,0]=4 3140 B12R1.286 C=Cc1cc(ccc1C)COC 271570a_100011290941_200015395492 [0,0,1,1,0,0|1,0,1]=4 3141 B12R1.286 C=Cc1cc(ccc1F)COC 271570a_100011290941_200011493689 [0,0,1,1,0,0|1,0,1]=4 3142 B12R1.286 CC=Cc1ccc(c(c1)C=O)Br 271570a_100016259895_100010185652 [0,0,1,1,0,0|2,0,0]=4 3143 B12R1.286 CC=Cc1ccc(c(c1)C=O)C 271570a_100016259895_100011361606 [0,0,1,1,0,0|1,0,1]=4 3144 B12R1.286 CC=Cc1ccc(c(c1)C=O)Cl 271570a_100016259895_100010254384 [0,0,1,1,0,0|2,0,0]=4 3145 B12R1.286 CC=Cc1ccc(c(c1)C=O)F 271570a_100016259895_100000211465 [0,0,1,1,0,0|2,0,0]=4 3146 B12R1.286 CC=Cc1ccc(c(c1)C=O)N 271570a_100016259895_100011935258 [0,0,1,1,0,0|2,0,0]=4 3147 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [0,0,1,1,0,0|2,0,0]=4 3148 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,1,0,0|0,0,2]=4 3149 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,1,0,0|1,0,1]=4 3150 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,1,0,0|2,0,0]=4 3151 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,0,0,1,0,0|1,0,0]=3 3152 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,0,0,1,0,0|1,1,0]=4 3153 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,0,0,1,0,0|2,0,0]=4 3154 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,0,0,1,0,0|2,0,0]=4 3155 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [1,0,0,1,0,0|2,0,0]=4 3156 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [1,0,0,1,0,0|2,0,0]=4 3157 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [1,0,0,1,0,0|0,0,2]=4 3158 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [1,0,0,1,0,0|1,0,1]=4 3159 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [1,0,0,1,0,0|1,0,1]=4 3160 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [1,0,0,1,0,0|1,0,1]=4 3161 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [1,0,0,1,0,0|2,0,0]=4 3162 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,1,0,0|1,0,0]=3 3163 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,1,0,0|1,0,0]=3 3164 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [1,0,0,1,0,0|2,0,0]=4 3165 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [1,0,0,1,0,0|2,0,0]=4 3166 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [1,0,0,1,0,0|2,0,0]=4 3167 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,1,0,0|2,0,0]=4 3168 B12R2.1081 Oc1cccc2c1nccn2 271570a_203496583355_100010003881 [1,0,0,1,0,0|2,0,0]=4 3169 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,1,0,0|2,0,0]=4 3170 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [1,0,0,1,0,0|2,0,0]=4 3171 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,1,0,0|2,0,0]=4 3172 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [1,0,0,1,0,0|2,0,0]=4 3173 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,1,0,0|2,0,0]=4 3174 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [1,0,0,1,0,0|2,0,0]=4 3175 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [1,0,0,1,0,0|0,0,1]=3 3176 B12R2.1 C=Cc1coc2c1nccc2 271570a_100011290941_100009889148 [1,0,0,1,0,0|1,0,1]=4 3177 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [1,0,0,1,0,0|0,1,1]=4 3178 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [1,0,0,1,0,0|2,0,0]=4 3179 B12R2.315 CNc1cccc2c1ccs2 34a_100020628958_200000210301 [1,0,0,1,0,0|1,1,0]=4 3180 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [1,0,0,1,0,0|1,0,0]=3 3181 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [1,0,0,1,0,0|0,1,0]=3 3182 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [1,0,0,1,0,0|0,1,0]=3 3183 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [1,0,0,1,0,0|1,1,0]=4 3184 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [1,0,0,1,0,0|1,1,0]=4 3185 B12R2.315 COc1cccn2c1ncc2 34a_100000068405_200000210301 [1,0,0,1,0,0|2,0,0]=4 3186 B12R2.315 COc1cccn2c1ncc2 7a_100000068405_200000210301 [1,0,0,1,0,0|2,0,0]=4 3187 B12R2.315 COc1ccnc2c1scc2 34a_100000759877_200000210301 [1,0,0,1,0,0|2,0,0]=4 3188 B12R2.315 CSc1cccc2c1CC=C2 62a_100009844718_200000210301 [1,0,0,1,0,0|0,1,1]=4 3189 B12R2.315 CSc1cccc2c1CC=C2 62a_200000210301_100009844718 [1,0,0,1,0,0|0,1,1]=4 3190 B12R2.315 CSc1cccc2c1[nH]cc2 62a_200000210301_100009813418 [1,0,0,1,0,0|1,1,0]=4 3191 B12R2.315 CSc1cccc2c1cc[nH]2 62a_200000210301_100000685724 [1,0,0,1,0,0|1,1,0]=4 3192 B12R2.315 CSc1cccc2c1cco2 62a_200000210301_100000756496 [1,0,0,1,0,0|0,1,1]=4 3193 B12R2.315 CSc1cccc2c1ccs2 62a_200000210301_100009816950 [1,0,0,1,0,0|0,2,0]=4 3194 B12R2.315 CSc1cccc2c1occ2 62a_200000210301_100011935138 [1,0,0,1,0,0|1,1,0]=4 3195 B12R2.315 CSc1cccc2c1scc2 62a_200000210301_100000766737 [1,0,0,1,0,0|1,1,0]=4 3196 B12R2.315 [13CH3]Nc1cccc2c1ccs2 34a_100020628958_200025704644 [1,0,0,1,0,0|1,1,0]=4 3197 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [1,0,0,1,0,0|1,0,0]=3 3198 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [1,0,0,1,0,0|0,1,0]=3 3199 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [1,0,0,1,0,0|0,1,0]=3 3200 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [1,0,0,1,0,0|1,1,0]=4 3201 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [1,0,0,1,0,0|1,1,0]=4 3202 B12R2.315 [13CH3]Oc1cccn2c1ncc2 34a_100000068405_200025704644 [1,0,0,1,0,0|2,0,0]=4 3203 B12R2.315 [13CH3]Oc1cccn2c1ncc2 7a_100000068405_200025704644 [1,0,0,1,0,0|2,0,0]=4 3204 B12R2.315 [13CH3]Oc1ccnc2c1scc2 34a_100000759877_200025704644 [1,0,0,1,0,0|2,0,0]=4 3205 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_100009844718_200025704644 [1,0,0,1,0,0|0,1,1]=4 3206 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_200025704644_100009844718 [1,0,0,1,0,0|0,1,1]=4 3207 B12R2.315 [13CH3]Sc1cccc2c1[nH]cc2 62a_200025704644_100009813418 [1,0,0,1,0,0|1,1,0]=4 3208 B12R2.315 [13CH3]Sc1cccc2c1cc[nH]2 62a_200025704644_100000685724 [1,0,0,1,0,0|1,1,0]=4 3209 B12R2.315 [13CH3]Sc1cccc2c1cco2 62a_200025704644_100000756496 [1,0,0,1,0,0|0,1,1]=4 3210 B12R2.315 [13CH3]Sc1cccc2c1ccs2 62a_200025704644_100009816950 [1,0,0,1,0,0|0,2,0]=4 3211 B12R2.315 [13CH3]Sc1cccc2c1occ2 62a_200025704644_100011935138 [1,0,0,1,0,0|1,1,0]=4 3212 B12R2.315 [13CH3]Sc1cccc2c1scc2 62a_200025704644_100000766737 [1,0,0,1,0,0|1,1,0]=4 3213 B14R2.1146 CNc1cc(cc2c1cccc2)Br 34a_100010171453_200000210301 [0,1,0,1,0,0|2,0,0]=4 3214 B14R2.1146 COc1cc(cc2c1cccc2)Br 34a_100010089979_200000210301 [0,1,0,1,0,0|1,0,0]=3 3215 B14R2.1146 COc1cc(cc2c1cccc2)Br 7a_100010089979_200000210301 [0,1,0,1,0,0|1,0,0]=3 3216 B14R2.1146 COc1cc(cc2c1cccn2)O 271570a_203496583355_100010248854 [0,1,0,1,0,0|1,0,0]=3 3217 B14R2.1146 COc1cc(cc2c1nccc2)Br 34a_100010248853_200000210301 [0,1,0,1,0,0|2,0,0]=4 3218 B14R2.1146 COc1cc(cc2c1nccc2)Br 7a_100010248853_200000210301 [0,1,0,1,0,0|2,0,0]=4 3219 B14R2.1146 COc1cc(cc2c1nccc2)C 34a_100009888445_200000210301 [0,1,0,1,0,0|2,0,0]=4 3220 B14R2.1146 COc1cc(cc2c1nccc2)C 7a_100009888445_200000210301 [0,1,0,1,0,0|2,0,0]=4 3221 B14R2.1146 COc1cc(cc2c1nccc2)Cl 34a_200000089624_200000210301 [0,1,0,1,0,0|2,0,0]=4 3222 B14R2.1146 COc1cc(cc2c1nccc2)Cl 7a_200000089624_200000210301 [0,1,0,1,0,0|2,0,0]=4 3223 B14R2.1146 COc1cc(cc2c1nccc2)O 271570a_203496583355_100010248852 [0,1,0,1,0,0|2,0,0]=4 3224 B14R2.1146 COc1cc(nc2c1cccc2)C 34a_100000698765_200000210301 [0,1,0,1,0,0|2,0,0]=4 3225 B14R2.1146 COc1cc(nc2c1cccc2)O 271570a_203496583355_200010892118 [0,1,0,1,0,0|2,0,0]=4 3226 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_100010089974_200000210301 [0,1,0,1,0,0|1,1,0]=4 3227 B14R2.1146 CSc1cc(cc2c1cccc2)N 62a_200000210301_100010089974 [0,1,0,1,0,0|1,1,0]=4 3228 B14R2.1146 CSc1cc(cc2c1cccc2)O 62a_200000210301_100010001680 [0,1,0,1,0,0|1,1,0]=4 3229 B14R2.1146 Cc1cc(c2ccccc2n1)O[13CH3] 34a_100000698765_200025704644 [0,1,0,1,0,0|2,0,0]=4 3230 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 34a_100009888445_200025704644 [0,1,0,1,0,0|2,0,0]=4 3231 B14R2.1146 Cc1cc(c2ncccc2c1)O[13CH3] 7a_100009888445_200025704644 [0,1,0,1,0,0|2,0,0]=4 3232 B14R2.1146 [13CH3]Nc1cc(cc2c1cccc2)Br 34a_100010171453_200025704644 [0,1,0,1,0,0|2,0,0]=4 3233 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 34a_100010089979_200025704644 [0,1,0,1,0,0|1,0,0]=3 3234 B14R2.1146 [13CH3]Oc1cc(cc2c1cccc2)Br 7a_100010089979_200025704644 [0,1,0,1,0,0|1,0,0]=3 3235 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 34a_100010248853_200025704644 [0,1,0,1,0,0|2,0,0]=4 3236 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Br 7a_100010248853_200025704644 [0,1,0,1,0,0|2,0,0]=4 3237 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 34a_200000089624_200025704644 [0,1,0,1,0,0|2,0,0]=4 3238 B14R2.1146 [13CH3]Oc1cc(cc2c1nccc2)Cl 7a_200000089624_200025704644 [0,1,0,1,0,0|2,0,0]=4 3239 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_100010089974_200025704644 [0,1,0,1,0,0|1,1,0]=4 3240 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)N 62a_200025704644_100010089974 [0,1,0,1,0,0|1,1,0]=4 3241 B14R2.1146 [13CH3]Sc1cc(cc2c1cccc2)O 62a_200025704644_100010001680 [0,1,0,1,0,0|1,1,0]=4 3242 B14R2.2332 O=Cc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356508 [0,1,0,1,0,0|1,0,1]=4 3243 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [0,1,0,1,0,0|1,0,0]=3 3244 B14R2.4513 Cn1c(=O)cnc2c1cc(cc2)O 271570a_203496583355_100010221214 [0,1,0,1,0,0|2,0,0]=4 3245 B14R2.3 O=CCNC1COc2c1cccc2 2230a_100000747519_200015260668 [0,1,0,1,0,0|0,0,2]=4 3246 B14R2.3 O=CCSc1coc2c1cccc2 62a_200015260668_100009812202 [0,1,0,1,0,0|0,0,2]=4 3247 B14R2.3 O=CCSc1noc2c1cccc2 62a_200000703156_200015260668 [0,1,0,1,0,0|1,0,1]=4 3248 B14R2.3 O=CCSc1noc2c1cccc2 62a_200015260668_200000703156 [0,1,0,1,0,0|1,0,1]=4 3249 B14R2.44 CC=Cc1nc2ccccc2n1C 271570a_100016259895_200000239431 [0,1,0,1,0,0|2,0,0]=4 3250 B14R2.44 CC=Cc1sc2ccccc2c1C 271570a_100016259895_200010198769 [0,1,0,1,0,0|2,0,0]=4 3251 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [0,1,0,1,0,0|2,0,0]=4 3252 B14R2.92 C=Cc1coc2ccccc2c1=O 271570a_100011290941_100009813851 [0,1,0,1,0,0|1,0,1]=4 3253 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,1,0,1,0,0|1,0,1]=4 3254 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,1,0,1,0,0|1,0,1]=4 3255 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [0,1,0,1,0,0|1,1,0]=4 3256 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [0,1,0,1,0,0|1,1,0]=4 3257 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,1,0,1,0,0|1,0,1]=4 3258 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,1,0,1,0,0|1,0,1]=4 3259 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [0,1,0,1,0,0|1,1,0]=4 3260 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [0,1,0,1,0,0|1,1,0]=4 3261 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,1,0,0|1,0,1]=4 3262 B14R2.98 CCc1ccccc1c2c[nH]cn2 271570a_100011216252_100000756875 [0,1,0,1,0,0|2,0,0]=4 3263 B14R2.98 CCc1ccccc1c2cc[nH]c2 271570a_100000102155_100011215823 [0,1,0,1,0,0|2,0,0]=4 3264 B14R2.98 CCc1ccccc1c2cc[nH]n2 271570a_100000062414_100011215823 [0,1,0,1,0,0|2,0,0]=4 3265 B14R2.98 CCc1ccccc1c2cc[nH]n2 271570a_100011216252_100000062575 [0,1,0,1,0,0|2,0,0]=4 3266 B14R2.98 CCc1ccccc1c2ccco2 271570a_100000750936_100011215823 [0,1,0,1,0,0|1,0,1]=4 3267 B14R2.98 CCc1ccccc1c2ccco2 271570a_100011216252_100009814098 [0,1,0,1,0,0|1,0,1]=4 3268 B14R2.98 CCc1ccccc1c2cccs2 271570a_100000742291_100011215823 [0,1,0,1,0,0|1,1,0]=4 3269 B14R2.98 CCc1ccccc1c2cccs2 271570a_100011216252_100011215356 [0,1,0,1,0,0|1,1,0]=4 3270 B14R2.98 CCc1ccccc1c2ccoc2 271570a_100011216252_100011215275 [0,1,0,1,0,0|1,0,1]=4 3271 B14R2.98 CCc1ccccc1c2ccoc2 271570a_100011218838_100011215823 [0,1,0,1,0,0|1,0,1]=4 3272 B14R2.98 CCc1ccccc1c2ccsc2 271570a_100011216252_100000738268 [0,1,0,1,0,0|1,1,0]=4 3273 B14R2.98 CCc1ccccc1c2ccsc2 271570a_100011934443_100011215823 [0,1,0,1,0,0|1,1,0]=4 3274 B14R2.98 CCc1ccccc1c2ccsn2 271570a_100011216252_100009818082 [0,1,0,1,0,0|1,1,0]=4 3275 B14R2.98 CCc1ccccc1c2cnco2 271570a_100011216252_100020591547 [0,1,0,1,0,0|1,0,1]=4 3276 B14R2.98 CCc1ccccc1c2cncs2 271570a_100010231675_100011215823 [0,1,0,1,0,0|1,1,0]=4 3277 B14R2.98 CCc1ccccc1c2cncs2 271570a_100011216252_100011934649 [0,1,0,1,0,0|1,1,0]=4 3278 B14R2.98 CCc1ccccc1c2cscn2 271570a_100011216252_100000751502 [0,1,0,1,0,0|2,0,0]=4 3279 B14R2.98 CCc1ccccc1c2ncc[nH]2 271570a_100011216252_100025796157 [0,1,0,1,0,0|2,0,0]=4 3280 B14R2.98 CCc1ccccc1c2ncc[nH]2 271570a_100016988920_100011215823 [0,1,0,1,0,0|2,0,0]=4 3281 B14R2.98 CCc1ccccc1c2ncco2 271570a_100011216252_100011787736 [0,1,0,1,0,0|1,0,1]=4 3282 B14R2.98 CCc1ccccc1c2nccs2 271570a_100011216252_100000211983 [0,1,0,1,0,0|1,1,0]=4 3283 B14R2.98 CNc1ccccc1c2cc[nH]c2 271570a_100000102155_100020606079 [0,1,0,1,0,0|2,0,0]=4 3284 B14R2.98 CNc1ccccc1c2cc[nH]n2 271570a_100000062414_100020606079 [0,1,0,1,0,0|2,0,0]=4 3285 B14R2.98 CNc1ccccc1c2ccco2 271570a_100000750936_100020606079 [0,1,0,1,0,0|1,0,1]=4 3286 B14R2.98 CNc1ccccc1c2ccco2 34a_200020605208_200000210301 [0,1,0,1,0,0|1,0,1]=4 3287 B14R2.98 CNc1ccccc1c2cccs2 271570a_100000742291_100020606079 [0,1,0,1,0,0|1,1,0]=4 3288 B14R2.98 CNc1ccccc1c2ccoc2 271570a_100011218838_100020606079 [0,1,0,1,0,0|1,0,1]=4 3289 B14R2.98 CNc1ccccc1c2ccsc2 271570a_100011934443_100020606079 [0,1,0,1,0,0|1,1,0]=4 3290 B14R2.98 CNc1ccccc1c2cncs2 271570a_100010231675_100020606079 [0,1,0,1,0,0|1,1,0]=4 3291 B14R2.98 CNc1ccccc1c2ncc[nH]2 271570a_100016988920_100020606079 [0,1,0,1,0,0|2,0,0]=4 3292 B14R2.98 CNc1ccccc1n2cccc2 34a_100000187513_200000210301 [0,1,0,1,0,0|2,0,0]=4 3293 B14R2.98 CNc1ccccc1n2cccn2 2230a_100000738828_200000210301 [0,1,0,1,0,0|2,0,0]=4 3294 B14R2.98 CNc1ccccc1n2cccn2 34a_100000738828_200000210301 [0,1,0,1,0,0|2,0,0]=4 3295 B14R2.98 COc1ccccc1C2=CCCC2 271570a_100000089523_100000174000 [0,1,0,1,0,0|1,0,1]=4 3296 B14R2.98 COc1ccccc1C2=CCOC2 271570a_100009872500_100000174000 [0,1,0,1,0,0|0,0,2]=4 3297 B14R2.98 COc1ccccc1C2=COCC2 271570a_100000118173_100000174000 [0,1,0,1,0,0|1,0,1]=4 3298 B14R2.98 COc1ccccc1c2c[nH]cn2 271570a_100000756652_100000756875 [0,1,0,1,0,0|1,0,0]=3 3299 B14R2.98 COc1ccccc1c2cc[nH]c2 271570a_100000102155_100000174000 [0,1,0,1,0,0|1,0,0]=3 3300 B14R2.98 COc1ccccc1c2cc[nH]n2 271570a_100000062414_100000174000 [0,1,0,1,0,0|1,0,0]=3 3301 B14R2.98 COc1ccccc1c2cc[nH]n2 271570a_100000756652_100000062575 [0,1,0,1,0,0|1,0,0]=3 3302 B14R2.98 COc1ccccc1c2ccco2 271570a_100000750936_100000174000 [0,1,0,1,0,0|0,0,1]=3 3303 B14R2.98 COc1ccccc1c2ccco2 271570a_100000756652_100009814098 [0,1,0,1,0,0|0,0,1]=3 3304 B14R2.98 COc1ccccc1c2cccs2 271570a_100000742291_100000174000 [0,1,0,1,0,0|0,1,0]=3 3305 B14R2.98 COc1ccccc1c2cccs2 271570a_100000756652_100011215356 [0,1,0,1,0,0|0,1,0]=3 3306 B14R2.98 COc1ccccc1c2ccno2 34a_100000031527_200000210301 [0,1,0,1,0,0|0,0,1]=3 3307 B14R2.98 COc1ccccc1c2ccoc2 271570a_100000756652_100011215275 [0,1,0,1,0,0|0,0,1]=3 3308 B14R2.98 COc1ccccc1c2ccoc2 271570a_100011218838_100000174000 [0,1,0,1,0,0|0,0,1]=3 3309 B14R2.98 COc1ccccc1c2ccsc2 271570a_100000756652_100000738268 [0,1,0,1,0,0|0,1,0]=3 3310 B14R2.98 COc1ccccc1c2ccsc2 271570a_100011934443_100000174000 [0,1,0,1,0,0|0,1,0]=3 3311 B14R2.98 COc1ccccc1c2ccsc2 34a_100011997965_200000210301 [0,1,0,1,0,0|0,1,0]=3 3312 B14R2.98 COc1ccccc1c2ccsc2 7a_100011997965_200000210301 [0,1,0,1,0,0|0,1,0]=3 3313 B14R2.98 COc1ccccc1c2ccsn2 271570a_100000756652_100009818082 [0,1,0,1,0,0|0,1,0]=3 3314 B14R2.98 COc1ccccc1c2cn[nH]c2 271570a_100000041997_100000174000 [0,1,0,1,0,0|2,0,0]=4 3315 B14R2.98 COc1ccccc1c2cn[nH]c2 271570a_100000756652_100000238712 [0,1,0,1,0,0|2,0,0]=4 3316 B14R2.98 COc1ccccc1c2cnco2 271570a_100000756652_100020591547 [0,1,0,1,0,0|0,0,1]=3 3317 B14R2.98 COc1ccccc1c2cncs2 271570a_100000756652_100011934649 [0,1,0,1,0,0|0,1,0]=3 3318 B14R2.98 COc1ccccc1c2cncs2 271570a_100010231675_100000174000 [0,1,0,1,0,0|0,1,0]=3 3319 B14R2.98 COc1ccccc1c2cnoc2 271570a_100000756652_100009815712 [0,1,0,1,0,0|1,0,1]=4 3320 B14R2.98 COc1ccccc1c2cnsc2 271570a_100000756652_100009815736 [0,1,0,1,0,0|1,1,0]=4 3321 B14R2.98 COc1ccccc1c2cscn2 271570a_100000756652_100000751502 [0,1,0,1,0,0|1,0,0]=3 3322 B14R2.98 COc1ccccc1c2nc[nH]n2 271570a_100000756652_100000761765 [0,1,0,1,0,0|2,0,0]=4 3323 B14R2.98 COc1ccccc1c2ncc[nH]2 271570a_100000756652_100025796157 [0,1,0,1,0,0|1,0,0]=3 3324 B14R2.98 COc1ccccc1c2ncc[nH]2 271570a_100016988920_100000174000 [0,1,0,1,0,0|1,0,0]=3 3325 B14R2.98 COc1ccccc1c2ncc[nH]2 34a_200000089398_200000210301 [0,1,0,1,0,0|1,0,0]=3 3326 B14R2.98 COc1ccccc1c2ncco2 271570a_100000756652_100011787736 [0,1,0,1,0,0|0,0,1]=3 3327 B14R2.98 COc1ccccc1c2nccs2 271570a_100000756652_100000211983 [0,1,0,1,0,0|0,1,0]=3 3328 B14R2.98 COc1ccccc1c2ncns2 271570a_100000756652_100000693119 [0,1,0,1,0,0|1,1,0]=4 3329 B14R2.98 COc1ccccc1c2nnco2 34a_100000013539_200000210301 [0,1,0,1,0,0|1,0,1]=4 3330 B14R2.98 COc1ccccc1c2nncs2 271570a_100000756652_100000739804 [0,1,0,1,0,0|1,1,0]=4 3331 B14R2.98 COc1cccnc1c2cc[nH]c2 271570a_100000102155_100000690851 [0,1,0,1,0,0|2,0,0]=4 3332 B14R2.98 COc1cccnc1c2cc[nH]n2 271570a_100000062414_100000690851 [0,1,0,1,0,0|2,0,0]=4 3333 B14R2.98 COc1cccnc1c2ccco2 271570a_100000750936_100000690851 [0,1,0,1,0,0|1,0,1]=4 3334 B14R2.98 COc1cccnc1c2cccs2 271570a_100000742291_100000690851 [0,1,0,1,0,0|1,1,0]=4 3335 B14R2.98 COc1cccnc1c2ccoc2 271570a_100011218838_100000690851 [0,1,0,1,0,0|1,0,1]=4 3336 B14R2.98 COc1cccnc1c2ccsc2 271570a_100011934443_100000690851 [0,1,0,1,0,0|1,1,0]=4 3337 B14R2.98 COc1cccnc1c2cncs2 271570a_100010231675_100000690851 [0,1,0,1,0,0|1,1,0]=4 3338 B14R2.98 COc1cccnc1c2ncc[nH]2 271570a_100016988920_100000690851 [0,1,0,1,0,0|2,0,0]=4 3339 B14R2.98 COc1ccncc1c2c[nH]cn2 271570a_100011830476_100000756875 [0,1,0,1,0,0|2,0,0]=4 3340 B14R2.98 COc1ccncc1c2cc[nH]c2 271570a_100000102155_100011997281 [0,1,0,1,0,0|2,0,0]=4 3341 B14R2.98 COc1ccncc1c2cc[nH]n2 271570a_100000062414_100011997281 [0,1,0,1,0,0|2,0,0]=4 3342 B14R2.98 COc1ccncc1c2cc[nH]n2 271570a_100011830476_100000062575 [0,1,0,1,0,0|2,0,0]=4 3343 B14R2.98 COc1ccncc1c2ccco2 271570a_100000750936_100011997281 [0,1,0,1,0,0|1,0,1]=4 3344 B14R2.98 COc1ccncc1c2ccco2 271570a_100011830476_100009814098 [0,1,0,1,0,0|1,0,1]=4 3345 B14R2.98 COc1ccncc1c2cccs2 271570a_100000742291_100011997281 [0,1,0,1,0,0|1,1,0]=4 3346 B14R2.98 COc1ccncc1c2cccs2 271570a_100011830476_100011215356 [0,1,0,1,0,0|1,1,0]=4 3347 B14R2.98 COc1ccncc1c2ccoc2 271570a_100011218838_100011997281 [0,1,0,1,0,0|1,0,1]=4 3348 B14R2.98 COc1ccncc1c2ccoc2 271570a_100011830476_100011215275 [0,1,0,1,0,0|1,0,1]=4 3349 B14R2.98 COc1ccncc1c2ccsc2 271570a_100011830476_100000738268 [0,1,0,1,0,0|1,1,0]=4 3350 B14R2.98 COc1ccncc1c2ccsc2 271570a_100011934443_100011997281 [0,1,0,1,0,0|1,1,0]=4 3351 B14R2.98 COc1ccncc1c2ccsn2 271570a_100011830476_100009818082 [0,1,0,1,0,0|1,1,0]=4 3352 B14R2.98 COc1ccncc1c2cnco2 271570a_100011830476_100020591547 [0,1,0,1,0,0|1,0,1]=4 3353 B14R2.98 COc1ccncc1c2cncs2 271570a_100010231675_100011997281 [0,1,0,1,0,0|1,1,0]=4 3354 B14R2.98 COc1ccncc1c2cncs2 271570a_100011830476_100011934649 [0,1,0,1,0,0|1,1,0]=4 3355 B14R2.98 COc1ccncc1c2cscn2 271570a_100011830476_100000751502 [0,1,0,1,0,0|2,0,0]=4 3356 B14R2.98 COc1ccncc1c2ncc[nH]2 271570a_100011830476_100025796157 [0,1,0,1,0,0|2,0,0]=4 3357 B14R2.98 COc1ccncc1c2ncc[nH]2 271570a_100016988920_100011997281 [0,1,0,1,0,0|2,0,0]=4 3358 B14R2.98 COc1ccncc1c2ncco2 271570a_100011830476_100011787736 [0,1,0,1,0,0|1,0,1]=4 3359 B14R2.98 COc1ccncc1c2nccs2 271570a_100011830476_100000211983 [0,1,0,1,0,0|1,1,0]=4 3360 B14R2.98 COc1cnccc1c2c[nH]cn2 271570a_100000084644_100000756875 [0,1,0,1,0,0|2,0,0]=4 3361 B14R2.98 COc1cnccc1c2cc[nH]c2 271570a_100000102155_100016988167 [0,1,0,1,0,0|2,0,0]=4 3362 B14R2.98 COc1cnccc1c2cc[nH]n2 271570a_100000062414_100016988167 [0,1,0,1,0,0|2,0,0]=4 3363 B14R2.98 COc1cnccc1c2cc[nH]n2 271570a_100000084644_100000062575 [0,1,0,1,0,0|2,0,0]=4 3364 B14R2.98 COc1cnccc1c2ccco2 271570a_100000084644_100009814098 [0,1,0,1,0,0|1,0,1]=4 3365 B14R2.98 COc1cnccc1c2ccco2 271570a_100000750936_100016988167 [0,1,0,1,0,0|1,0,1]=4 3366 B14R2.98 COc1cnccc1c2cccs2 271570a_100000084644_100011215356 [0,1,0,1,0,0|1,1,0]=4 3367 B14R2.98 COc1cnccc1c2cccs2 271570a_100000742291_100016988167 [0,1,0,1,0,0|1,1,0]=4 3368 B14R2.98 COc1cnccc1c2ccoc2 271570a_100000084644_100011215275 [0,1,0,1,0,0|1,0,1]=4 3369 B14R2.98 COc1cnccc1c2ccoc2 271570a_100011218838_100016988167 [0,1,0,1,0,0|1,0,1]=4 3370 B14R2.98 COc1cnccc1c2ccsc2 271570a_100000084644_100000738268 [0,1,0,1,0,0|1,1,0]=4 3371 B14R2.98 COc1cnccc1c2ccsc2 271570a_100011934443_100016988167 [0,1,0,1,0,0|1,1,0]=4 3372 B14R2.98 COc1cnccc1c2ccsn2 271570a_100000084644_100009818082 [0,1,0,1,0,0|1,1,0]=4 3373 B14R2.98 COc1cnccc1c2cnco2 271570a_100000084644_100020591547 [0,1,0,1,0,0|1,0,1]=4 3374 B14R2.98 COc1cnccc1c2cncs2 271570a_100000084644_100011934649 [0,1,0,1,0,0|1,1,0]=4 3375 B14R2.98 COc1cnccc1c2cncs2 271570a_100010231675_100016988167 [0,1,0,1,0,0|1,1,0]=4 3376 B14R2.98 COc1cnccc1c2cscn2 271570a_100000084644_100000751502 [0,1,0,1,0,0|2,0,0]=4 3377 B14R2.98 COc1cnccc1c2ncc[nH]2 271570a_100000084644_100025796157 [0,1,0,1,0,0|2,0,0]=4 3378 B14R2.98 COc1cnccc1c2ncc[nH]2 271570a_100016988920_100016988167 [0,1,0,1,0,0|2,0,0]=4 3379 B14R2.98 COc1cnccc1c2ncco2 271570a_100000084644_100011787736 [0,1,0,1,0,0|1,0,1]=4 3380 B14R2.98 COc1cnccc1c2nccs2 271570a_100000084644_100000211983 [0,1,0,1,0,0|1,1,0]=4 3381 B14R2.98 COc1ncccc1c2c[nH]cn2 271570a_100011290909_100000756875 [0,1,0,1,0,0|2,0,0]=4 3382 B14R2.98 COc1ncccc1c2cc[nH]c2 271570a_100000102155_100000047025 [0,1,0,1,0,0|2,0,0]=4 3383 B14R2.98 COc1ncccc1c2cc[nH]n2 271570a_100000062414_100000047025 [0,1,0,1,0,0|2,0,0]=4 3384 B14R2.98 COc1ncccc1c2cc[nH]n2 271570a_100011290909_100000062575 [0,1,0,1,0,0|2,0,0]=4 3385 B14R2.98 COc1ncccc1c2ccco2 271570a_100000750936_100000047025 [0,1,0,1,0,0|1,0,1]=4 3386 B14R2.98 COc1ncccc1c2ccco2 271570a_100011290909_100009814098 [0,1,0,1,0,0|1,0,1]=4 3387 B14R2.98 COc1ncccc1c2cccs2 271570a_100000742291_100000047025 [0,1,0,1,0,0|1,1,0]=4 3388 B14R2.98 COc1ncccc1c2cccs2 271570a_100011290909_100011215356 [0,1,0,1,0,0|1,1,0]=4 3389 B14R2.98 COc1ncccc1c2ccoc2 271570a_100011218838_100000047025 [0,1,0,1,0,0|1,0,1]=4 3390 B14R2.98 COc1ncccc1c2ccoc2 271570a_100011290909_100011215275 [0,1,0,1,0,0|1,0,1]=4 3391 B14R2.98 COc1ncccc1c2ccsc2 271570a_100011290909_100000738268 [0,1,0,1,0,0|1,1,0]=4 3392 B14R2.98 COc1ncccc1c2ccsc2 271570a_100011934443_100000047025 [0,1,0,1,0,0|1,1,0]=4 3393 B14R2.98 COc1ncccc1c2ccsn2 271570a_100011290909_100009818082 [0,1,0,1,0,0|1,1,0]=4 3394 B14R2.98 COc1ncccc1c2cnco2 271570a_100011290909_100020591547 [0,1,0,1,0,0|1,0,1]=4 3395 B14R2.98 COc1ncccc1c2cncs2 271570a_100010231675_100000047025 [0,1,0,1,0,0|1,1,0]=4 3396 B14R2.98 COc1ncccc1c2cncs2 271570a_100011290909_100011934649 [0,1,0,1,0,0|1,1,0]=4 3397 B14R2.98 COc1ncccc1c2cscn2 271570a_100011290909_100000751502 [0,1,0,1,0,0|2,0,0]=4 3398 B14R2.98 COc1ncccc1c2ncc[nH]2 271570a_100011290909_100025796157 [0,1,0,1,0,0|2,0,0]=4 3399 B14R2.98 COc1ncccc1c2ncc[nH]2 271570a_100016988920_100000047025 [0,1,0,1,0,0|2,0,0]=4 3400 B14R2.98 COc1ncccc1c2ncco2 271570a_100011290909_100011787736 [0,1,0,1,0,0|1,0,1]=4 3401 B14R2.98 COc1ncccc1c2nccs2 271570a_100011290909_100000211983 [0,1,0,1,0,0|1,1,0]=4 3402 B14R2.98 CSc1ccccc1c2c[nH]cn2 271570a_100011218165_100000756875 [0,1,0,1,0,0|1,1,0]=4 3403 B14R2.98 CSc1ccccc1c2cc[nH]c2 271570a_100000102155_100011217816 [0,1,0,1,0,0|1,1,0]=4 3404 B14R2.98 CSc1ccccc1c2cc[nH]n2 271570a_100000062414_100011217816 [0,1,0,1,0,0|1,1,0]=4 3405 B14R2.98 CSc1ccccc1c2cc[nH]n2 271570a_100011218165_100000062575 [0,1,0,1,0,0|1,1,0]=4 3406 B14R2.98 CSc1ccccc1c2cc[nH]n2 62a_100011216357_200000210301 [0,1,0,1,0,0|1,1,0]=4 3407 B14R2.98 CSc1ccccc1c2ccco2 271570a_100000750936_100011217816 [0,1,0,1,0,0|0,1,1]=4 3408 B14R2.98 CSc1ccccc1c2ccco2 271570a_100011218165_100009814098 [0,1,0,1,0,0|0,1,1]=4 3409 B14R2.98 CSc1ccccc1c2cccs2 271570a_100000742291_100011217816 [0,1,0,1,0,0|0,2,0]=4 3410 B14R2.98 CSc1ccccc1c2cccs2 271570a_100011218165_100011215356 [0,1,0,1,0,0|0,2,0]=4 3411 B14R2.98 CSc1ccccc1c2ccno2 62a_100011218344_200000210301 [0,1,0,1,0,0|0,1,1]=4 3412 B14R2.98 CSc1ccccc1c2ccno2 62a_200000210301_100011218344 [0,1,0,1,0,0|0,1,1]=4 3413 B14R2.98 CSc1ccccc1c2ccoc2 271570a_100011218165_100011215275 [0,1,0,1,0,0|0,1,1]=4 3414 B14R2.98 CSc1ccccc1c2ccoc2 271570a_100011218838_100011217816 [0,1,0,1,0,0|0,1,1]=4 3415 B14R2.98 CSc1ccccc1c2ccsc2 271570a_100011218165_100000738268 [0,1,0,1,0,0|0,2,0]=4 3416 B14R2.98 CSc1ccccc1c2ccsc2 271570a_100011934443_100011217816 [0,1,0,1,0,0|0,2,0]=4 3417 B14R2.98 CSc1ccccc1c2ccsn2 271570a_100011218165_100009818082 [0,1,0,1,0,0|0,2,0]=4 3418 B14R2.98 CSc1ccccc1c2cnco2 271570a_100011218165_100020591547 [0,1,0,1,0,0|0,1,1]=4 3419 B14R2.98 CSc1ccccc1c2cnco2 62a_100009816723_200000210301 [0,1,0,1,0,0|0,1,1]=4 3420 B14R2.98 CSc1ccccc1c2cnco2 62a_200000210301_100009816723 [0,1,0,1,0,0|0,1,1]=4 3421 B14R2.98 CSc1ccccc1c2cncs2 271570a_100010231675_100011217816 [0,1,0,1,0,0|0,2,0]=4 3422 B14R2.98 CSc1ccccc1c2cncs2 271570a_100011218165_100011934649 [0,1,0,1,0,0|0,2,0]=4 3423 B14R2.98 CSc1ccccc1c2cocn2 62a_100010198669_200000210301 [0,1,0,1,0,0|1,1,0]=4 3424 B14R2.98 CSc1ccccc1c2cocn2 62a_200000210301_100010198669 [0,1,0,1,0,0|1,1,0]=4 3425 B14R2.98 CSc1ccccc1c2cscn2 271570a_100011218165_100000751502 [0,1,0,1,0,0|1,1,0]=4 3426 B14R2.98 CSc1ccccc1c2ncc[nH]2 271570a_100011218165_100025796157 [0,1,0,1,0,0|1,1,0]=4 3427 B14R2.98 CSc1ccccc1c2ncc[nH]2 271570a_100016988920_100011217816 [0,1,0,1,0,0|1,1,0]=4 3428 B14R2.98 CSc1ccccc1c2ncc[nH]2 62a_100011532729_200000210301 [0,1,0,1,0,0|1,1,0]=4 3429 B14R2.98 CSc1ccccc1c2ncc[nH]2 62a_200000210301_100011532729 [0,1,0,1,0,0|1,1,0]=4 3430 B14R2.98 CSc1ccccc1c2ncco2 271570a_100011218165_100011787736 [0,1,0,1,0,0|0,1,1]=4 3431 B14R2.98 CSc1ccccc1c2ncco2 62a_100010188011_200000210301 [0,1,0,1,0,0|0,1,1]=4 3432 B14R2.98 CSc1ccccc1c2ncco2 62a_200000210301_100010188011 [0,1,0,1,0,0|0,1,1]=4 3433 B14R2.98 CSc1ccccc1c2nccs2 271570a_100011218165_100000211983 [0,1,0,1,0,0|0,2,0]=4 3434 B14R2.98 CSc1ccccc1c2nccs2 62a_103496549459_200000210301 [0,1,0,1,0,0|0,2,0]=4 3435 B14R2.98 CSc1ccccc1c2nccs2 62a_200000210301_103496549459 [0,1,0,1,0,0|0,2,0]=4 3436 B14R2.98 CSc1ccccc1n2cccc2 62a_200000178846_200000210301 [0,1,0,1,0,0|1,1,0]=4 3437 B14R2.98 CSc1ccccc1n2cccc2 62a_200000210301_200000178846 [0,1,0,1,0,0|1,1,0]=4 3438 B14R2.98 CSc1ccccc1n2cccn2 62a_100011313175_200000210301 [0,1,0,1,0,0|1,1,0]=4 3439 B14R2.98 [13CH3]Nc1ccccc1c2ccco2 34a_200020605208_200025704644 [0,1,0,1,0,0|1,0,1]=4 3440 B14R2.98 [13CH3]Nc1ccccc1n2cccc2 34a_100000187513_200025704644 [0,1,0,1,0,0|2,0,0]=4 3441 B14R2.98 [13CH3]Nc1ccccc1n2cccn2 2230a_100000738828_200025704644 [0,1,0,1,0,0|2,0,0]=4 3442 B14R2.98 [13CH3]Nc1ccccc1n2cccn2 34a_100000738828_200025704644 [0,1,0,1,0,0|2,0,0]=4 3443 B14R2.98 [13CH3]Oc1ccccc1c2ccno2 34a_100000031527_200025704644 [0,1,0,1,0,0|0,0,1]=3 3444 B14R2.98 [13CH3]Oc1ccccc1c2ccsc2 34a_100011997965_200025704644 [0,1,0,1,0,0|0,1,0]=3 3445 B14R2.98 [13CH3]Oc1ccccc1c2ccsc2 7a_100011997965_200025704644 [0,1,0,1,0,0|0,1,0]=3 3446 B14R2.98 [13CH3]Oc1ccccc1c2ncc[nH]2 34a_200000089398_200025704644 [0,1,0,1,0,0|1,0,0]=3 3447 B14R2.98 [13CH3]Oc1ccccc1c2nnco2 34a_100000013539_200025704644 [0,1,0,1,0,0|1,0,1]=4 3448 B14R2.98 [13CH3]Sc1ccccc1c2cc[nH]n2 62a_100011216357_200025704644 [0,1,0,1,0,0|1,1,0]=4 3449 B14R2.98 [13CH3]Sc1ccccc1c2ccno2 62a_100011218344_200025704644 [0,1,0,1,0,0|0,1,1]=4 3450 B14R2.98 [13CH3]Sc1ccccc1c2ccno2 62a_200025704644_100011218344 [0,1,0,1,0,0|0,1,1]=4 3451 B14R2.98 [13CH3]Sc1ccccc1c2cnco2 62a_100009816723_200025704644 [0,1,0,1,0,0|0,1,1]=4 3452 B14R2.98 [13CH3]Sc1ccccc1c2cnco2 62a_200025704644_100009816723 [0,1,0,1,0,0|0,1,1]=4 3453 B14R2.98 [13CH3]Sc1ccccc1c2cocn2 62a_100010198669_200025704644 [0,1,0,1,0,0|1,1,0]=4 3454 B14R2.98 [13CH3]Sc1ccccc1c2cocn2 62a_200025704644_100010198669 [0,1,0,1,0,0|1,1,0]=4 3455 B14R2.98 [13CH3]Sc1ccccc1c2ncc[nH]2 62a_100011532729_200025704644 [0,1,0,1,0,0|1,1,0]=4 3456 B14R2.98 [13CH3]Sc1ccccc1c2ncc[nH]2 62a_200025704644_100011532729 [0,1,0,1,0,0|1,1,0]=4 3457 B14R2.98 [13CH3]Sc1ccccc1c2ncco2 62a_100010188011_200025704644 [0,1,0,1,0,0|0,1,1]=4 3458 B14R2.98 [13CH3]Sc1ccccc1c2ncco2 62a_200025704644_100010188011 [0,1,0,1,0,0|0,1,1]=4 3459 B14R2.98 [13CH3]Sc1ccccc1c2nccs2 62a_103496549459_200025704644 [0,1,0,1,0,0|0,2,0]=4 3460 B14R2.98 [13CH3]Sc1ccccc1c2nccs2 62a_200025704644_103496549459 [0,1,0,1,0,0|0,2,0]=4 3461 B14R2.98 [13CH3]Sc1ccccc1n2cccc2 62a_200000178846_200025704644 [0,1,0,1,0,0|1,1,0]=4 3462 B14R2.98 [13CH3]Sc1ccccc1n2cccc2 62a_200025704644_200000178846 [0,1,0,1,0,0|1,1,0]=4 3463 B14R2.98 [13CH3]Sc1ccccc1n2cccn2 62a_100011313175_200025704644 [0,1,0,1,0,0|1,1,0]=4 3464 B14R2.112 CNCC1=Cc2ccccc2OC1 270004a_106832991635_100000013085 [0,1,0,1,0,0|1,0,1]=4 3465 B14R2.1072 C=Cc1c[nH]c2c1ccnc2OC 271570a_100011290941_100010168644 [0,1,0,1,0,0|2,0,0]=4 3466 B14R2.1072 C=Cc1n[nH]c2c1cccc2OC 271570a_100011290941_100010231496 [0,1,0,1,0,0|2,0,0]=4 3467 B14R2.1072 CSc1cccn2c1ncc2C=O 62a_200000210301_100010272206 [0,1,0,1,0,0|1,1,0]=4 3468 B14R2.1072 [13CH3]Sc1cccn2c1ncc2C=O 62a_200025704644_100010272206 [0,1,0,1,0,0|1,1,0]=4 3469 B14R2.1078 C=Cc1cccc2c1[nH]ccc2=O 271570a_100011290941_100000749886 [0,1,0,1,0,0|1,0,1]=4 3470 B14R2.1078 C=Cc1cccc2c1cc[nH]c2=O 271570a_100011290941_100000703947 [0,1,0,1,0,0|1,0,1]=4 3471 B14R2.1078 CNc1cccc2c1ccc[n+]2C 34a_200021579679_200000210301 [0,1,0,1,0,0|2,0,0]=4 3472 B14R2.1078 CNc1cccc2c1cccc2Br 34a_100009816864_200000210301 [0,1,0,1,0,0|2,0,0]=4 3473 B14R2.1078 CNc1cccc2c1cccc2Cl 34a_100000077128_200000210301 [0,1,0,1,0,0|2,0,0]=4 3474 B14R2.1078 CNc1cccc2c1cccc2O 34a_100000210686_200000210301 [0,1,0,1,0,0|1,0,1]=4 3475 B14R2.1078 CNc1cccc2c1ccnc2Cl 34a_100000070072_200000210301 [0,1,0,1,0,0|2,0,0]=4 3476 B14R2.1078 CNc1cccc2c1nc[nH]c2=O 27a_100102657272_100000741247 [0,1,0,1,0,0|2,0,0]=4 3477 B14R2.1078 CNc1cccc2c1nccc2C 27a_100102657272_100010254272 [0,1,0,1,0,0|2,0,0]=4 3478 B14R2.1078 CNc1cccc2c1nccc2C 34a_100011934384_200000210301 [0,1,0,1,0,0|2,0,0]=4 3479 B14R2.1078 CNc1cccc2c1nccc2Cl 34a_100009892510_200000210301 [0,1,0,1,0,0|2,0,0]=4 3480 B14R2.1078 COc1cccc2c1CCCC2=O 34a_100000763485_200000210301 [0,1,0,1,0,0|0,0,2]=4 3481 B14R2.1078 COc1cccc2c1CCCC2=O 7a_100000763485_200000210301 [0,1,0,1,0,0|0,0,2]=4 3482 B14R2.1078 COc1cccc2c1CCNC2=O 34a_100000079299_200000210301 [0,1,0,1,0,0|0,0,2]=4 3483 B14R2.1078 COc1cccc2c1CCNC2=O 7a_100000079299_200000210301 [0,1,0,1,0,0|0,0,2]=4 3484 B14R2.1078 COc1cccc2c1OCCC2=O 34a_100009867664_200000210301 [0,1,0,1,0,0|0,0,2]=4 3485 B14R2.1078 COc1cccc2c1OCCC2=O 7a_100009867664_200000210301 [0,1,0,1,0,0|0,0,2]=4 3486 B14R2.1078 COc1cccc2c1cccc2Br 34a_100010003857_200000210301 [0,1,0,1,0,0|1,0,0]=3 3487 B14R2.1078 COc1cccc2c1cccc2Br 7a_100010003857_200000210301 [0,1,0,1,0,0|1,0,0]=3 3488 B14R2.1078 COc1cccc2c1cccc2N 34a_100000210686_200000210301 [0,1,0,1,0,0|1,0,0]=3 3489 B14R2.1078 COc1cccc2c1nccc2Br 34a_100000703299_200000210301 [0,1,0,1,0,0|1,0,0]=3 3490 B14R2.1078 COc1cccc2c1nccc2Br 7a_100000703299_200000210301 [0,1,0,1,0,0|1,0,0]=3 3491 B14R2.1078 COc1cccc2c1nccc2C 7a_100000702989_200000210301 [0,1,0,1,0,0|1,0,0]=3 3492 B14R2.1078 COc1cccc2c1nccc2O 271570a_203496583355_100000709070 [0,1,0,1,0,0|0,0,1]=3 3493 B14R2.1078 COc1cccc2c1ncnc2O 271570a_203496583355_100012001261 [0,1,0,1,0,0|1,0,1]=4 3494 B14R2.1078 COc1ccnc2c1cccc2F 34a_100000709910_200000210301 [0,1,0,1,0,0|2,0,0]=4 3495 B14R2.1078 CSc1cccc2c1cc[nH]c2=O 62a_200000210301_100000703947 [0,1,0,1,0,0|0,1,0]=3 3496 B14R2.1078 CSc1cccc2c1cccc2F 62a_100009817034_200000210301 [0,1,0,1,0,0|1,1,0]=4 3497 B14R2.1078 CSc1cccc2c1cccc2F 62a_200000210301_100009817034 [0,1,0,1,0,0|1,1,0]=4 3498 B14R2.1078 CSc1cccc2c1cccc2N 62a_100009816864_200000210301 [0,1,0,1,0,0|1,1,0]=4 3499 B14R2.1078 CSc1cccc2c1cccc2O 62a_200000210301_100010003857 [0,1,0,1,0,0|0,1,1]=4 3500 B14R2.1078 CSc1cccc2c1ccnc2C 62a_100010137443_200000210301 [0,1,0,1,0,0|1,1,0]=4 3501 B14R2.1078 CSc1cccc2c1ccnc2C 62a_200000210301_100010137443 [0,1,0,1,0,0|1,1,0]=4 3502 B14R2.1078 CSc1cccc2c1ccnc2Cl 62a_200000210301_100010080171 [0,1,0,1,0,0|1,1,0]=4 3503 B14R2.1078 CSc1cccc2c1ccnc2N 62a_103549770558_200000210301 [0,1,0,1,0,0|1,1,0]=4 3504 B14R2.1078 CSc1cccc2c1nccc2C 62a_200000210301_100010254272 [0,1,0,1,0,0|1,1,0]=4 3505 B14R2.1078 CSc1cccc2c1nccc2N 62a_100011620713_200000210301 [0,1,0,1,0,0|1,1,0]=4 3506 B14R2.1078 CSc1cccc2c1nccc2N 62a_200000210301_100011620713 [0,1,0,1,0,0|1,1,0]=4 3507 B14R2.1078 C[n+]1cccc2c1cccc2N[13CH3] 34a_200021579679_200025704644 [0,1,0,1,0,0|2,0,0]=4 3508 B14R2.1078 Cc1ccnc2c1cccc2N[13CH3] 34a_100011934384_200025704644 [0,1,0,1,0,0|2,0,0]=4 3509 B14R2.1078 Cc1ccnc2c1cccc2O[13CH3] 7a_100000702989_200025704644 [0,1,0,1,0,0|1,0,0]=3 3510 B14R2.1078 Cc1ccnc2c1cccc2S[13CH3] 62a_200025704644_100010254272 [0,1,0,1,0,0|1,1,0]=4 3511 B14R2.1078 Cc1nccc2c1cccc2S[13CH3] 62a_100010137443_200025704644 [0,1,0,1,0,0|1,1,0]=4 3512 B14R2.1078 Cc1nccc2c1cccc2S[13CH3] 62a_200025704644_100010137443 [0,1,0,1,0,0|1,1,0]=4 3513 B14R2.1078 [13CH3]Nc1cccc2c1cccc2Br 34a_100009816864_200025704644 [0,1,0,1,0,0|2,0,0]=4 3514 B14R2.1078 [13CH3]Nc1cccc2c1cccc2Cl 34a_100000077128_200025704644 [0,1,0,1,0,0|2,0,0]=4 3515 B14R2.1078 [13CH3]Nc1cccc2c1cccc2O 34a_100000210686_200025704644 [0,1,0,1,0,0|1,0,1]=4 3516 B14R2.1078 [13CH3]Nc1cccc2c1ccnc2Cl 34a_100000070072_200025704644 [0,1,0,1,0,0|2,0,0]=4 3517 B14R2.1078 [13CH3]Nc1cccc2c1nccc2Cl 34a_100009892510_200025704644 [0,1,0,1,0,0|2,0,0]=4 3518 B14R2.1078 [13CH3]Oc1cccc2c1CCCC2=O 34a_100000763485_200025704644 [0,1,0,1,0,0|0,0,2]=4 3519 B14R2.1078 [13CH3]Oc1cccc2c1CCCC2=O 7a_100000763485_200025704644 [0,1,0,1,0,0|0,0,2]=4 3520 B14R2.1078 [13CH3]Oc1cccc2c1CCNC2=O 34a_100000079299_200025704644 [0,1,0,1,0,0|0,0,2]=4 3521 B14R2.1078 [13CH3]Oc1cccc2c1CCNC2=O 7a_100000079299_200025704644 [0,1,0,1,0,0|0,0,2]=4 3522 B14R2.1078 [13CH3]Oc1cccc2c1OCCC2=O 34a_100009867664_200025704644 [0,1,0,1,0,0|0,0,2]=4 3523 B14R2.1078 [13CH3]Oc1cccc2c1OCCC2=O 7a_100009867664_200025704644 [0,1,0,1,0,0|0,0,2]=4 3524 B14R2.1078 [13CH3]Oc1cccc2c1cccc2Br 34a_100010003857_200025704644 [0,1,0,1,0,0|1,0,0]=3 3525 B14R2.1078 [13CH3]Oc1cccc2c1cccc2Br 7a_100010003857_200025704644 [0,1,0,1,0,0|1,0,0]=3 3526 B14R2.1078 [13CH3]Oc1cccc2c1cccc2N 34a_100000210686_200025704644 [0,1,0,1,0,0|1,0,0]=3 3527 B14R2.1078 [13CH3]Oc1cccc2c1nccc2Br 34a_100000703299_200025704644 [0,1,0,1,0,0|1,0,0]=3 3528 B14R2.1078 [13CH3]Oc1cccc2c1nccc2Br 7a_100000703299_200025704644 [0,1,0,1,0,0|1,0,0]=3 3529 B14R2.1078 [13CH3]Oc1ccnc2c1cccc2F 34a_100000709910_200025704644 [0,1,0,1,0,0|2,0,0]=4 3530 B14R2.1078 [13CH3]Sc1cccc2c1cc[nH]c2=O 62a_200025704644_100000703947 [0,1,0,1,0,0|0,1,0]=3 3531 B14R2.1078 [13CH3]Sc1cccc2c1cccc2F 62a_100009817034_200025704644 [0,1,0,1,0,0|1,1,0]=4 3532 B14R2.1078 [13CH3]Sc1cccc2c1cccc2F 62a_200025704644_100009817034 [0,1,0,1,0,0|1,1,0]=4 3533 B14R2.1078 [13CH3]Sc1cccc2c1cccc2N 62a_100009816864_200025704644 [0,1,0,1,0,0|1,1,0]=4 3534 B14R2.1078 [13CH3]Sc1cccc2c1cccc2O 62a_200025704644_100010003857 [0,1,0,1,0,0|0,1,1]=4 3535 B14R2.1078 [13CH3]Sc1cccc2c1ccnc2Cl 62a_200025704644_100010080171 [0,1,0,1,0,0|1,1,0]=4 3536 B14R2.1078 [13CH3]Sc1cccc2c1ccnc2N 62a_103549770558_200025704644 [0,1,0,1,0,0|1,1,0]=4 3537 B14R2.1078 [13CH3]Sc1cccc2c1nccc2N 62a_100011620713_200025704644 [0,1,0,1,0,0|1,1,0]=4 3538 B14R2.1078 [13CH3]Sc1cccc2c1nccc2N 62a_200025704644_100011620713 [0,1,0,1,0,0|1,1,0]=4 3539 B14R2.11625 COc1ccccc1C=CC2CC2 271570a_100102526188_100000174000 [0,1,0,1,0,0|1,0,1]=4 3540 B14R2.2 CC(=Cc1coc2c1cccc2)C 271570a_100102525489_100009812202 [0,1,0,1,0,0|1,0,1]=4 3541 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,1,0,1,0,0|0,0,2]=4 3542 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000070787_100009813815 [0,1,0,1,0,0|1,0,1]=4 3543 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000205995_200000210301 [0,1,0,1,0,0|1,0,1]=4 3544 B14R2.2 CC(=O)NC1COc2c1cccc2 11a_100000747519_100015343762 [0,1,0,1,0,0|1,0,1]=4 3545 B14R2.2 CC(=O)NC1COc2c1cccc2 1626a_100000747519_100015343762 [0,1,0,1,0,0|1,0,1]=4 3546 B14R2.2 CC(=O)NC1COc2c1cccc2 240690a_100000747519_100015343762 [0,1,0,1,0,0|1,0,1]=4 3547 B14R2.2 CC(=O)NC1COc2c1cccc2 527a_100000747519_100103153847 [0,1,0,1,0,0|1,0,1]=4 3548 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,1,0,1,0,0|0,0,2]=4 3549 B14R2.2 [13CH3]C(=O)Cc1noc2c1cccc2 1458a_100000205995_200025704644 [0,1,0,1,0,0|1,0,1]=4 3550 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,1,0,1,0,0|1,0,1]=4 3551 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,1,0,1,0,0|1,0,1]=4 3552 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200000210301 [0,1,0,1,0,0|0,0,0]=2 3553 B14R2.781 CC(=O)C1COc2ccccc2C1 1458a_100000203760_200000210301 [0,1,0,1,0,0|0,0,2]=4 3554 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [0,1,0,1,0,0|1,0,1]=4 3555 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,1,0,1,0,0|1,0,1]=4 3556 B14R2.781 [13CH3]C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200025704644 [0,1,0,1,0,0|0,0,0]=2 3557 B14R2.781 [13CH3]C(=O)C1COc2ccccc2C1 1458a_100000203760_200025704644 [0,1,0,1,0,0|0,0,2]=4 3558 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [0,1,0,1,0,0|1,0,1]=4 3559 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,1,0,1,0,0|1,0,1]=4 3560 B14R2.1073 C=Cc1cccc2c1ccc(=O)[nH]2 271570a_100011290941_100000726145 [0,1,0,1,0,0|1,0,1]=4 3561 B14R2.1073 CNc1cccc2c1ccc(c2)Br 34a_100010090037_200000210301 [0,1,0,1,0,0|2,0,0]=4 3562 B14R2.1073 CNc1cccc2c1ccc(c2)O 34a_100000034668_200000210301 [0,1,0,1,0,0|1,0,1]=4 3563 B14R2.1073 CNc1cccc2c1ccc(n2)C 27a_100102657272_100010173736 [0,1,0,1,0,0|2,0,0]=4 3564 B14R2.1073 CNc1cccc2c1ccc(n2)C 34a_106741707140_200000210301 [0,1,0,1,0,0|2,0,0]=4 3565 B14R2.1073 COc1cccc2c1CCC(=O)N2 34a_100000066681_200000210301 [0,1,0,1,0,0|0,0,2]=4 3566 B14R2.1073 COc1cccc2c1CCC(=O)N2 7a_100000066681_200000210301 [0,1,0,1,0,0|0,0,2]=4 3567 B14R2.1073 COc1cccc2c1ccc(c2)Br 34a_100010202202_200000210301 [0,1,0,1,0,0|1,0,0]=3 3568 B14R2.1073 COc1cccc2c1ccc(c2)Br 7a_100010202202_200000210301 [0,1,0,1,0,0|1,0,0]=3 3569 B14R2.1073 COc1cccc2c1ccc(c2)F 34a_100009846233_200000210301 [0,1,0,1,0,0|1,0,0]=3 3570 B14R2.1073 COc1cccc2c1ccc(c2)F 7a_100009846233_200000210301 [0,1,0,1,0,0|1,0,0]=3 3571 B14R2.1073 COc1cccc2c1ccc(c2)N 34a_100000035793_200000210301 [0,1,0,1,0,0|1,0,0]=3 3572 B14R2.1073 COc1cccc2c1ccc(n2)O 271570a_203496583355_100010382897 [0,1,0,1,0,0|0,0,1]=3 3573 B14R2.1073 COc1cccc2c1ncc(c2)C 34a_100000144662_200000210301 [0,1,0,1,0,0|2,0,0]=4 3574 B14R2.1073 COc1cccc2c1ncc(c2)C 7a_100000144662_200000210301 [0,1,0,1,0,0|2,0,0]=4 3575 B14R2.1073 COc1cccc2c1ncc(c2)Cl 34a_100009858588_200000210301 [0,1,0,1,0,0|2,0,0]=4 3576 B14R2.1073 COc1cccc2c1ncc(c2)Cl 7a_100009858588_200000210301 [0,1,0,1,0,0|2,0,0]=4 3577 B14R2.1073 COc1cccc2c1ncc(n2)O 271570a_203496583355_100010890105 [0,1,0,1,0,0|1,0,1]=4 3578 B14R2.1073 COc1ccnc2c1ccc(c2)Cl 34a_100011215206_200000210301 [0,1,0,1,0,0|2,0,0]=4 3579 B14R2.1073 COc1ccnc2c1ccc(c2)F 34a_100000004115_200000210301 [0,1,0,1,0,0|2,0,0]=4 3580 B14R2.1073 COc1ccnc2c1ccc(c2)O 271570a_203496583355_100010204255 [0,1,0,1,0,0|1,0,1]=4 3581 B14R2.1073 COc1nccc2c1ccc(c2)Br 34a_100000760485_200000210301 [0,1,0,1,0,0|2,0,0]=4 3582 B14R2.1073 CSc1cccc2c1ccc(=O)[nH]2 62a_200000210301_100000726145 [0,1,0,1,0,0|0,1,0]=3 3583 B14R2.1073 CSc1cccc2c1ccc(n2)C 62a_100010173736_200000210301 [0,1,0,1,0,0|1,1,0]=4 3584 B14R2.1073 CSc1cccc2c1ccc(n2)C 62a_200000210301_100010173736 [0,1,0,1,0,0|1,1,0]=4 3585 B14R2.1073 CSc1cccc2c1ccc(n2)N 62a_100000723655_200000210301 [0,1,0,1,0,0|1,1,0]=4 3586 B14R2.1073 Cc1ccc2c(cccc2n1)N[13CH3] 34a_106741707140_200025704644 [0,1,0,1,0,0|2,0,0]=4 3587 B14R2.1073 Cc1ccc2c(cccc2n1)S[13CH3] 62a_100010173736_200025704644 [0,1,0,1,0,0|1,1,0]=4 3588 B14R2.1073 Cc1ccc2c(cccc2n1)S[13CH3] 62a_200025704644_100010173736 [0,1,0,1,0,0|1,1,0]=4 3589 B14R2.1073 Cc1cnc2c(cccc2c1)O[13CH3] 34a_100000144662_200025704644 [0,1,0,1,0,0|2,0,0]=4 3590 B14R2.1073 Cc1cnc2c(cccc2c1)O[13CH3] 7a_100000144662_200025704644 [0,1,0,1,0,0|2,0,0]=4 3591 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)Br 34a_100010090037_200025704644 [0,1,0,1,0,0|2,0,0]=4 3592 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)O 34a_100000034668_200025704644 [0,1,0,1,0,0|1,0,1]=4 3593 B14R2.1073 [13CH3]Oc1cccc2c1CCC(=O)N2 34a_100000066681_200025704644 [0,1,0,1,0,0|0,0,2]=4 3594 B14R2.1073 [13CH3]Oc1cccc2c1CCC(=O)N2 7a_100000066681_200025704644 [0,1,0,1,0,0|0,0,2]=4 3595 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 34a_100010202202_200025704644 [0,1,0,1,0,0|1,0,0]=3 3596 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 7a_100010202202_200025704644 [0,1,0,1,0,0|1,0,0]=3 3597 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 34a_100009846233_200025704644 [0,1,0,1,0,0|1,0,0]=3 3598 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 7a_100009846233_200025704644 [0,1,0,1,0,0|1,0,0]=3 3599 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)N 34a_100000035793_200025704644 [0,1,0,1,0,0|1,0,0]=3 3600 B14R2.1073 [13CH3]Oc1cccc2c1ncc(c2)Cl 34a_100009858588_200025704644 [0,1,0,1,0,0|2,0,0]=4 3601 B14R2.1073 [13CH3]Oc1cccc2c1ncc(c2)Cl 7a_100009858588_200025704644 [0,1,0,1,0,0|2,0,0]=4 3602 B14R2.1073 [13CH3]Oc1ccnc2c1ccc(c2)Cl 34a_100011215206_200025704644 [0,1,0,1,0,0|2,0,0]=4 3603 B14R2.1073 [13CH3]Oc1ccnc2c1ccc(c2)F 34a_100000004115_200025704644 [0,1,0,1,0,0|2,0,0]=4 3604 B14R2.1073 [13CH3]Oc1nccc2c1ccc(c2)Br 34a_100000760485_200025704644 [0,1,0,1,0,0|2,0,0]=4 3605 B14R2.1073 [13CH3]Sc1cccc2c1ccc(=O)[nH]2 62a_200025704644_100000726145 [0,1,0,1,0,0|0,1,0]=3 3606 B14R2.1073 [13CH3]Sc1cccc2c1ccc(n2)N 62a_100000723655_200025704644 [0,1,0,1,0,0|1,1,0]=4 3607 B14R2.11645 CSc1cccc2c1NC(=O)C2=O 62a_100000183292_200000210301 [0,1,0,1,0,0|1,1,0]=4 3608 B14R2.11645 [13CH3]Sc1cccc2c1NC(=O)C2=O 62a_100000183292_200025704644 [0,1,0,1,0,0|1,1,0]=4 3609 B14R2.11647 C=Cc1cccc2c1cc(s2)C=O 271570a_100011290941_100010109917 [0,1,0,1,0,0|1,0,1]=4 3610 B14R2.11647 C=Cc1nc2c(cccc2s1)OC 271570a_100011290941_100010195968 [0,1,0,1,0,0|2,0,0]=4 3611 B14R2.11647 CSc1cccc2c1cc([nH]2)C=O 62a_200000210301_200010333833 [0,1,0,1,0,0|0,1,0]=3 3612 B14R2.11647 CSc1cccc2c1cc(s2)C=O 62a_100010109917_200000210301 [0,1,0,1,0,0|0,1,0]=3 3613 B14R2.11647 CSc1cccc2n1cc(n2)C=O 62a_100010238484_200000210301 [0,1,0,1,0,0|1,1,0]=4 3614 B14R2.11647 CSc1nccc2c1cc([nH]2)C=O 62a_200000210301_100009865985 [0,1,0,1,0,0|1,1,0]=4 3615 B14R2.11647 [13CH3]Sc1cccc2c1cc([nH]2)C=O 62a_200025704644_200010333833 [0,1,0,1,0,0|0,1,0]=3 3616 B14R2.11647 [13CH3]Sc1cccc2c1cc(s2)C=O 62a_100010109917_200025704644 [0,1,0,1,0,0|0,1,0]=3 3617 B14R2.11647 [13CH3]Sc1cccc2n1cc(n2)C=O 62a_100010238484_200025704644 [0,1,0,1,0,0|1,1,0]=4 3618 B14R2.11647 [13CH3]Sc1nccc2c1cc([nH]2)C=O 62a_200025704644_100009865985 [0,1,0,1,0,0|1,1,0]=4 3619 B14R2.11684 CNc1cccc2c1cc(cc2)Br 34a_100010090012_200000210301 [0,1,0,1,0,0|2,0,0]=4 3620 B14R2.11684 CNc1cccc2c1cc(cc2)O 34a_100000034012_200000210301 [0,1,0,1,0,0|2,0,0]=4 3621 B14R2.11684 CNc1cccc2c1cc(cn2)Br 34a_100010264086_200000210301 [0,1,0,1,0,0|2,0,0]=4 3622 B14R2.11684 COc1cccc2c1cc(cc2)Br 34a_100010089991_200000210301 [0,1,0,1,0,0|1,0,0]=3 3623 B14R2.11684 COc1cccc2c1cc(cc2)Br 7a_100010089991_200000210301 [0,1,0,1,0,0|1,0,0]=3 3624 B14R2.11684 COc1cccc2c1cc(cc2)C 34a_100000040781_200000210301 [0,1,0,1,0,0|1,0,0]=3 3625 B14R2.11684 COc1cccc2c1cc(cc2)C 7a_100000040781_200000210301 [0,1,0,1,0,0|1,0,0]=3 3626 B14R2.11684 COc1cccc2c1cc(cc2)Cl 34a_100009840344_200000210301 [0,1,0,1,0,0|1,0,0]=3 3627 B14R2.11684 COc1cccc2c1cc(cc2)Cl 7a_100009840344_200000210301 [0,1,0,1,0,0|1,0,0]=3 3628 B14R2.11684 COc1cccc2c1cc(cc2)F 34a_100009881884_200000210301 [0,1,0,1,0,0|1,0,0]=3 3629 B14R2.11684 COc1cccc2c1cc(cc2)F 7a_100009881884_200000210301 [0,1,0,1,0,0|1,0,0]=3 3630 B14R2.11684 COc1cccc2c1cc(cc2)N 34a_100132313934_200000210301 [0,1,0,1,0,0|1,0,0]=3 3631 B14R2.11684 COc1cccc2c1cc(cc2)N 7a_100132313934_200000210301 [0,1,0,1,0,0|1,0,0]=3 3632 B14R2.11684 COc1cccc2c1cc(cn2)Br 34a_200010153752_200000210301 [0,1,0,1,0,0|1,0,0]=3 3633 B14R2.11684 COc1cccc2c1cc(cn2)Br 7a_200010153752_200000210301 [0,1,0,1,0,0|1,0,0]=3 3634 B14R2.11684 COc1cccc2c1cc(cn2)N 34a_100009853962_200000210301 [0,1,0,1,0,0|1,0,0]=3 3635 B14R2.11684 COc1cccc2c1nc(cc2)Br 34a_100010153751_200000210301 [0,1,0,1,0,0|2,0,0]=4 3636 B14R2.11684 COc1cccc2c1nc(cc2)Br 7a_100010153751_200000210301 [0,1,0,1,0,0|2,0,0]=4 3637 B14R2.11684 COc1cccc2c1nc(cc2)C 34a_100000184714_200000210301 [0,1,0,1,0,0|2,0,0]=4 3638 B14R2.11684 COc1cccc2c1nc(cc2)C 7a_100000184714_200000210301 [0,1,0,1,0,0|2,0,0]=4 3639 B14R2.11684 COc1cccc2c1nc(cc2)Cl 34a_100000013812_200000210301 [0,1,0,1,0,0|2,0,0]=4 3640 B14R2.11684 COc1cccc2c1nc(cc2)Cl 7a_100000013812_200000210301 [0,1,0,1,0,0|2,0,0]=4 3641 B14R2.11684 COc1cccc2c1nc(cc2)N 34a_100000032106_200000210301 [0,1,0,1,0,0|2,0,0]=4 3642 B14R2.11684 COc1cccc2c1nc(cc2)N 7a_100000032106_200000210301 [0,1,0,1,0,0|2,0,0]=4 3643 B14R2.11684 COc1cccc2c1nc(cc2)O 271570a_203496583355_200011787714 [0,1,0,1,0,0|2,0,0]=4 3644 B14R2.11684 COc1cccc2c1nc(cn2)O 271570a_203496583355_100010783442 [0,1,0,1,0,0|2,0,0]=4 3645 B14R2.11684 COc1ccnc2c1cc(cc2)C 34a_200011310529_200000210301 [0,1,0,1,0,0|2,0,0]=4 3646 B14R2.11684 COc1ccnc2c1cc(cc2)F 34a_100000004104_200000210301 [0,1,0,1,0,0|2,0,0]=4 3647 B14R2.11684 COc1ccnc2c1cc(cc2)O 271570a_203496583355_100009816692 [0,1,0,1,0,0|2,0,0]=4 3648 B14R2.11684 COc1cncc2c1cc(cc2)Br 34a_100010136424_200000210301 [0,1,0,1,0,0|2,0,0]=4 3649 B14R2.11684 COc1cncc2c1cc(cc2)Br 7a_100010136424_200000210301 [0,1,0,1,0,0|2,0,0]=4 3650 B14R2.11684 COc1nccc2c1cc(cc2)Br 34a_100000010956_200000210301 [0,1,0,1,0,0|2,0,0]=4 3651 B14R2.11684 COc1nccc2c1cc(cc2)Cl 34a_100000005406_200000210301 [0,1,0,1,0,0|2,0,0]=4 3652 B14R2.11684 COc1nccc2c1cc(cc2)O 271570a_203496583355_200011098638 [0,1,0,1,0,0|2,0,0]=4 3653 B14R2.11684 CSc1cccc2c1cc(cc2)O 62a_200000210301_100010169565 [0,1,0,1,0,0|1,1,0]=4 3654 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 34a_100000040781_200025704644 [0,1,0,1,0,0|1,0,0]=3 3655 B14R2.11684 Cc1ccc2cccc(c2c1)O[13CH3] 7a_100000040781_200025704644 [0,1,0,1,0,0|1,0,0]=3 3656 B14R2.11684 Cc1ccc2cccc(c2n1)O[13CH3] 34a_100000184714_200025704644 [0,1,0,1,0,0|2,0,0]=4 3657 B14R2.11684 Cc1ccc2cccc(c2n1)O[13CH3] 7a_100000184714_200025704644 [0,1,0,1,0,0|2,0,0]=4 3658 B14R2.11684 Cc1ccc2nccc(c2c1)O[13CH3] 34a_200011310529_200025704644 [0,1,0,1,0,0|2,0,0]=4 3659 B14R2.11684 [13CH3]Nc1cccc2c1cc(cc2)Br 34a_100010090012_200025704644 [0,1,0,1,0,0|2,0,0]=4 3660 B14R2.11684 [13CH3]Nc1cccc2c1cc(cc2)O 34a_100000034012_200025704644 [0,1,0,1,0,0|2,0,0]=4 3661 B14R2.11684 [13CH3]Nc1cccc2c1cc(cn2)Br 34a_100010264086_200025704644 [0,1,0,1,0,0|2,0,0]=4 3662 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 34a_100010089991_200025704644 [0,1,0,1,0,0|1,0,0]=3 3663 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Br 7a_100010089991_200025704644 [0,1,0,1,0,0|1,0,0]=3 3664 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 34a_100009840344_200025704644 [0,1,0,1,0,0|1,0,0]=3 3665 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)Cl 7a_100009840344_200025704644 [0,1,0,1,0,0|1,0,0]=3 3666 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 34a_100009881884_200025704644 [0,1,0,1,0,0|1,0,0]=3 3667 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)F 7a_100009881884_200025704644 [0,1,0,1,0,0|1,0,0]=3 3668 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 34a_100132313934_200025704644 [0,1,0,1,0,0|1,0,0]=3 3669 B14R2.11684 [13CH3]Oc1cccc2c1cc(cc2)N 7a_100132313934_200025704644 [0,1,0,1,0,0|1,0,0]=3 3670 B14R2.11684 [13CH3]Oc1cccc2c1cc(cn2)Br 34a_200010153752_200025704644 [0,1,0,1,0,0|1,0,0]=3 3671 B14R2.11684 [13CH3]Oc1cccc2c1cc(cn2)Br 7a_200010153752_200025704644 [0,1,0,1,0,0|1,0,0]=3 3672 B14R2.11684 [13CH3]Oc1cccc2c1cc(cn2)N 34a_100009853962_200025704644 [0,1,0,1,0,0|1,0,0]=3 3673 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Br 34a_100010153751_200025704644 [0,1,0,1,0,0|2,0,0]=4 3674 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Br 7a_100010153751_200025704644 [0,1,0,1,0,0|2,0,0]=4 3675 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Cl 34a_100000013812_200025704644 [0,1,0,1,0,0|2,0,0]=4 3676 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)Cl 7a_100000013812_200025704644 [0,1,0,1,0,0|2,0,0]=4 3677 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)N 34a_100000032106_200025704644 [0,1,0,1,0,0|2,0,0]=4 3678 B14R2.11684 [13CH3]Oc1cccc2c1nc(cc2)N 7a_100000032106_200025704644 [0,1,0,1,0,0|2,0,0]=4 3679 B14R2.11684 [13CH3]Oc1ccnc2c1cc(cc2)F 34a_100000004104_200025704644 [0,1,0,1,0,0|2,0,0]=4 3680 B14R2.11684 [13CH3]Oc1cncc2c1cc(cc2)Br 34a_100010136424_200025704644 [0,1,0,1,0,0|2,0,0]=4 3681 B14R2.11684 [13CH3]Oc1cncc2c1cc(cc2)Br 7a_100010136424_200025704644 [0,1,0,1,0,0|2,0,0]=4 3682 B14R2.11684 [13CH3]Oc1nccc2c1cc(cc2)Br 34a_100000010956_200025704644 [0,1,0,1,0,0|2,0,0]=4 3683 B14R2.11684 [13CH3]Oc1nccc2c1cc(cc2)Cl 34a_100000005406_200025704644 [0,1,0,1,0,0|2,0,0]=4 3684 B14R2.11684 [13CH3]Sc1cccc2c1cc(cc2)O 62a_200025704644_100010169565 [0,1,0,1,0,0|1,1,0]=4 3685 B14R2.510 CC=Cc1nn(c2c1cccc2)C 271570a_100016259895_100009817141 [0,1,0,1,0,0|2,0,0]=4 3686 B14R2.7150 CC=Cc1cccc2c1cccc2 271570a_100016259895_100000210605 [0,1,0,1,0,0|2,0,0]=4 3687 B14R2.7150 CC=Cc1cccc2c1cccn2 271570a_100016259895_100011290932 [0,1,0,1,0,0|2,0,0]=4 3688 B14R2.7150 CCNc1cccc2c1cccc2 34a_100000185869_100000210202 [0,1,0,1,0,0|2,0,0]=4 3689 B14R2.7150 CCNc1cccc2c1cccn2 27a_100015525214_100011290932 [0,1,0,1,0,0|2,0,0]=4 3690 B14R2.7150 CCNc1cccc2c1cccn2 34a_100000183906_100000210202 [0,1,0,1,0,0|2,0,0]=4 3691 B14R2.7150 CCOc1cccc2c1CC=CC2 34a_100000074931_100000210202 [0,1,0,1,0,0|1,0,1]=4 3692 B14R2.7150 CCOc1cccc2c1CC=CC2 7a_100000074931_100000210202 [0,1,0,1,0,0|1,0,1]=4 3693 B14R2.7150 CCOc1cccc2c1cccc2 34a_100000210388_100000210202 [0,1,0,1,0,0|1,0,0]=3 3694 B14R2.7150 CCOc1cccc2c1cccc2 7a_100000210388_100000210202 [0,1,0,1,0,0|1,0,0]=3 3695 B14R2.7150 CCOc1cccc2c1cccn2 34a_100011197808_100000210202 [0,1,0,1,0,0|1,0,0]=3 3696 B14R2.7150 CCOc1cccc2c1ccnc2 34a_100011218533_100000210202 [0,1,0,1,0,0|2,0,0]=4 3697 B14R2.7150 CCOc1cccc2c1cncc2 34a_103624766955_100000210202 [0,1,0,1,0,0|2,0,0]=4 3698 B14R2.7150 CCOc1cccc2c1nccc2 34a_100000056035_100000210202 [0,1,0,1,0,0|2,0,0]=4 3699 B14R2.7150 CCOc1cccc2c1nccn2 34a_100000077048_100000210202 [0,1,0,1,0,0|2,0,0]=4 3700 B14R2.7150 CCOc1cncc2c1cccc2 34a_100000066178_100000210202 [0,1,0,1,0,0|2,0,0]=4 3701 B14R2.7150 CCOc1cncc2c1cccc2 7a_100000066178_100000210202 [0,1,0,1,0,0|2,0,0]=4 3702 B14R2.7150 CCOc1nccc2c1cccc2 34a_102531767632_100000210202 [0,1,0,1,0,0|2,0,0]=4 3703 B14R2.7150 CCSc1cccc2c1cccc2 62a_100000210202_100000210605 [0,1,0,1,0,0|1,1,0]=4 3704 B14R2.7150 CCSc1cccc2c1cccn2 62a_100000210202_100011290932 [0,1,0,1,0,0|1,1,0]=4 3705 B14R2.7150 CCSc1cccc2c1cccn2 62a_100011290932_100000210202 [0,1,0,1,0,0|1,1,0]=4 3706 B14R2.7150 CNCc1cccc2c1cccc2 207a_100102657272_100000210074 [0,1,0,1,0,0|2,0,0]=4 3707 B14R2.7150 CNCc1cccc2c1cccc2 2230a_106832991635_100011261445 [0,1,0,1,0,0|2,0,0]=4 3708 B14R2.7150 CNCc1cccc2c1cccc2 270004a_106832991635_100000210074 [0,1,0,1,0,0|2,0,0]=4 3709 B14R2.7150 CNCc1cccc2c1cccc2 34a_100000753325_200000210301 [0,1,0,1,0,0|2,0,0]=4 3710 B14R2.7150 CNCc1cccc2c1cccc2 34a_100102657272_100011261445 [0,1,0,1,0,0|2,0,0]=4 3711 B14R2.7150 CNCc1cccc2c1cccc2 7a_106832991635_100011261445 [0,1,0,1,0,0|2,0,0]=4 3712 B14R2.7150 CNCc1cccc2c1cccn2 207a_100102657272_100000708479 [0,1,0,1,0,0|2,0,0]=4 3713 B14R2.7150 CNCc1cccc2c1cccn2 270004a_106832991635_100000708479 [0,1,0,1,0,0|2,0,0]=4 3714 B14R2.7150 COCc1cccc2c1cccc2 34a_100011216843_200000210301 [0,1,0,1,0,0|1,0,0]=3 3715 B14R2.7150 COCc1cccc2c1cccc2 34a_100138415774_100011261445 [0,1,0,1,0,0|1,0,0]=3 3716 B14R2.7150 COCc1cccc2c1cccc2 7a_100011216843_200000210301 [0,1,0,1,0,0|1,0,0]=3 3717 B14R2.7150 COCc1cccc2c1cccn2 34a_100000709871_200000210301 [0,1,0,1,0,0|1,0,0]=3 3718 B14R2.7150 COCc1cccc2c1ccnc2 34a_100138415774_100016989825 [0,1,0,1,0,0|2,0,0]=4 3719 B14R2.7150 COCc1cccc2c1nccc2 34a_100011303629_200000210301 [0,1,0,1,0,0|2,0,0]=4 3720 B14R2.7150 COCc1cccc2c1nccc2 34a_100138415774_100000241032 [0,1,0,1,0,0|2,0,0]=4 3721 B14R2.7150 COCc1ccnc2c1cccc2 34a_100138415774_100015192512 [0,1,0,1,0,0|2,0,0]=4 3722 B14R2.7150 COCc1nccc2c1cccc2 34a_100138415774_100000033776 [0,1,0,1,0,0|2,0,0]=4 3723 B14R2.7150 CSCc1cccc2c1cccc2 62a_100011261445_200000210301 [0,1,0,1,0,0|1,1,0]=4 3724 B14R2.7150 CSCc1cccc2c1cccc2 62a_200000210301_100000188474 [0,1,0,1,0,0|1,1,0]=4 3725 B14R2.7150 FCNc1cccc2c1cccc2 34a_100000185869_100015361967 [0,1,0,1,0,0|2,0,0]=4 3726 B14R2.7150 FCNc1cccc2c1cccn2 34a_100000183906_100015361967 [0,1,0,1,0,0|2,0,0]=4 3727 B14R2.7150 FCOc1cccc2c1CC=CC2 34a_100000074931_100015361967 [0,1,0,1,0,0|1,0,1]=4 3728 B14R2.7150 FCOc1cccc2c1CC=CC2 7a_100000074931_100015361967 [0,1,0,1,0,0|1,0,1]=4 3729 B14R2.7150 FCOc1cccc2c1cccc2 34a_100000210388_100015361967 [0,1,0,1,0,0|1,0,0]=3 3730 B14R2.7150 FCOc1cccc2c1cccc2 7a_100000210388_100015361967 [0,1,0,1,0,0|1,0,0]=3 3731 B14R2.7150 FCOc1cccc2c1cccn2 34a_100011197808_100015361967 [0,1,0,1,0,0|1,0,0]=3 3732 B14R2.7150 FCOc1cccc2c1ccnc2 34a_100011218533_100015361967 [0,1,0,1,0,0|2,0,0]=4 3733 B14R2.7150 FCOc1cccc2c1cncc2 34a_103624766955_100015361967 [0,1,0,1,0,0|2,0,0]=4 3734 B14R2.7150 FCOc1cccc2c1nccc2 34a_100000056035_100015361967 [0,1,0,1,0,0|2,0,0]=4 3735 B14R2.7150 FCOc1cccc2c1nccn2 34a_100000077048_100015361967 [0,1,0,1,0,0|2,0,0]=4 3736 B14R2.7150 FCOc1cncc2c1cccc2 34a_100000066178_100015361967 [0,1,0,1,0,0|2,0,0]=4 3737 B14R2.7150 FCOc1cncc2c1cccc2 7a_100000066178_100015361967 [0,1,0,1,0,0|2,0,0]=4 3738 B14R2.7150 FCOc1nccc2c1cccc2 34a_102531767632_100015361967 [0,1,0,1,0,0|2,0,0]=4 3739 B14R2.7150 FCSc1cccc2c1cccc2 62a_100015361967_100000210605 [0,1,0,1,0,0|1,1,0]=4 3740 B14R2.7150 FCSc1cccc2c1cccn2 62a_100011290932_100015361967 [0,1,0,1,0,0|1,1,0]=4 3741 B14R2.7150 FCSc1cccc2c1cccn2 62a_100015361967_100011290932 [0,1,0,1,0,0|1,1,0]=4 3742 B14R2.7150 [13CH3]NCc1cccc2c1cccc2 34a_100000753325_200025704644 [0,1,0,1,0,0|2,0,0]=4 3743 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 34a_100011216843_200025704644 [0,1,0,1,0,0|1,0,0]=3 3744 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 7a_100011216843_200025704644 [0,1,0,1,0,0|1,0,0]=3 3745 B14R2.7150 [13CH3]OCc1cccc2c1cccn2 34a_100000709871_200025704644 [0,1,0,1,0,0|1,0,0]=3 3746 B14R2.7150 [13CH3]OCc1cccc2c1nccc2 34a_100011303629_200025704644 [0,1,0,1,0,0|2,0,0]=4 3747 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_100011261445_200025704644 [0,1,0,1,0,0|1,1,0]=4 3748 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_200025704644_100000188474 [0,1,0,1,0,0|1,1,0]=4 3749 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,1,0,1,0,0|1,0,0]=3 3750 B14R2.11635 CCc1cccc2c1c(ccc2)O 271570a_203496583355_202517441601 [0,1,0,1,0,0|2,0,0]=4 3751 B14R2.11635 CNc1cccc2c1c(ccc2)Br 34a_100010002837_200000210301 [0,1,0,1,0,0|2,0,0]=4 3752 B14R2.11635 CNc1cccc2c1c(ccc2)C 34a_100009841044_200000210301 [0,1,0,1,0,0|2,0,0]=4 3753 B14R2.11635 CNc1cccc2c1c(ccc2)C 7a_100009841044_200000210301 [0,1,0,1,0,0|2,0,0]=4 3754 B14R2.11635 CNc1cccc2c1c(ccc2)Cl 34a_100009857565_200000210301 [0,1,0,1,0,0|2,0,0]=4 3755 B14R2.11635 CNc1cccc2c1c(ccc2)F 34a_100009878580_200000210301 [0,1,0,1,0,0|2,0,0]=4 3756 B14R2.11635 CNc1cccc2c1c(ccc2)F 7a_100009878580_200000210301 [0,1,0,1,0,0|2,0,0]=4 3757 B14R2.11635 CNc1cccc2c1c(ccn2)Cl 34a_100010263589_200000210301 [0,1,0,1,0,0|2,0,0]=4 3758 B14R2.11635 COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_200000210301 [0,1,0,1,0,0|2,0,0]=4 3759 B14R2.11635 COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_200000210301 [0,1,0,1,0,0|2,0,0]=4 3760 B14R2.11635 COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_200000210301 [0,1,0,1,0,0|2,0,0]=4 3761 B14R2.11635 COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_200000210301 [0,1,0,1,0,0|2,0,0]=4 3762 B14R2.11635 COc1cccc2c1c(=O)cco2 34a_100000040341_200000210301 [0,1,0,1,0,0|0,0,1]=3 3763 B14R2.11635 COc1cccc2c1c(=O)cco2 7a_100000040341_200000210301 [0,1,0,1,0,0|0,0,1]=3 3764 B14R2.11635 COc1cccc2c1c(ccc2)Br 34a_100010089961_200000210301 [0,1,0,1,0,0|1,0,0]=3 3765 B14R2.11635 COc1cccc2c1c(ccc2)Br 7a_100010089961_200000210301 [0,1,0,1,0,0|1,0,0]=3 3766 B14R2.11635 COc1cccc2c1c(ccc2)O 271570a_203496583355_100010152499 [0,1,0,1,0,0|1,0,0]=3 3767 B14R2.11635 COc1cccc2c1c(ccn2)O 271570a_203496583355_100010204250 [0,1,0,1,0,0|1,0,0]=3 3768 B14R2.11635 COc1ccnc2c1c(ccc2)Br 34a_100010187735_200000210301 [0,1,0,1,0,0|2,0,0]=4 3769 B14R2.11635 COc1ccnc2c1c(ccc2)C 34a_100000087318_200000210301 [0,1,0,1,0,0|2,0,0]=4 3770 B14R2.11635 COc1nccc2c1c(ccc2)Br 34a_100010162479_200000210301 [0,1,0,1,0,0|2,0,0]=4 3771 B14R2.11635 COc1nccc2c1c(ccc2)Cl 34a_200010297299_200000210301 [0,1,0,1,0,0|2,0,0]=4 3772 B14R2.11635 CSc1cccc2c1c(ccc2)Br 62a_100010243825_200000210301 [0,1,0,1,0,0|1,1,0]=4 3773 B14R2.11635 CSc1cccc2c1c(ccc2)Br 62a_200000210301_100010243825 [0,1,0,1,0,0|1,1,0]=4 3774 B14R2.11635 CSc1cccc2c1c(ccc2)C 62a_200000210301_100009995290 [0,1,0,1,0,0|1,1,0]=4 3775 B14R2.11635 CSc1cccc2c1c(ccc2)F 62a_100010177852_200000210301 [0,1,0,1,0,0|1,1,0]=4 3776 B14R2.11635 CSc1cccc2c1c(ccc2)F 62a_200000210301_100010177852 [0,1,0,1,0,0|1,1,0]=4 3777 B14R2.11635 CSc1cccc2c1c(ccc2)N 62a_100010002837_200000210301 [0,1,0,1,0,0|1,1,0]=4 3778 B14R2.11635 CSc1cccc2c1c(ccc2)O 62a_200000210301_100010089961 [0,1,0,1,0,0|1,1,0]=4 3779 B14R2.11635 Cc1cccc2c1c(ccc2)N[13CH3] 34a_100009841044_200025704644 [0,1,0,1,0,0|2,0,0]=4 3780 B14R2.11635 Cc1cccc2c1c(ccc2)N[13CH3] 7a_100009841044_200025704644 [0,1,0,1,0,0|2,0,0]=4 3781 B14R2.11635 Cc1cccc2c1c(ccc2)S[13CH3] 62a_200025704644_100009995290 [0,1,0,1,0,0|1,1,0]=4 3782 B14R2.11635 Cc1cccc2c1c(ccn2)O[13CH3] 34a_100000087318_200025704644 [0,1,0,1,0,0|2,0,0]=4 3783 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)Br 34a_100010002837_200025704644 [0,1,0,1,0,0|2,0,0]=4 3784 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)Cl 34a_100009857565_200025704644 [0,1,0,1,0,0|2,0,0]=4 3785 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)F 34a_100009878580_200025704644 [0,1,0,1,0,0|2,0,0]=4 3786 B14R2.11635 [13CH3]Nc1cccc2c1c(ccc2)F 7a_100009878580_200025704644 [0,1,0,1,0,0|2,0,0]=4 3787 B14R2.11635 [13CH3]Nc1cccc2c1c(ccn2)Cl 34a_100010263589_200025704644 [0,1,0,1,0,0|2,0,0]=4 3788 B14R2.11635 [13CH3]Oc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_200025704644 [0,1,0,1,0,0|2,0,0]=4 3789 B14R2.11635 [13CH3]Oc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_200025704644 [0,1,0,1,0,0|2,0,0]=4 3790 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)[nH]cc2 34a_200010358299_200025704644 [0,1,0,1,0,0|2,0,0]=4 3791 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)[nH]cc2 7a_200010358299_200025704644 [0,1,0,1,0,0|2,0,0]=4 3792 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)cco2 34a_100000040341_200025704644 [0,1,0,1,0,0|0,0,1]=3 3793 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)cco2 7a_100000040341_200025704644 [0,1,0,1,0,0|0,0,1]=3 3794 B14R2.11635 [13CH3]Oc1cccc2c1c(ccc2)Br 34a_100010089961_200025704644 [0,1,0,1,0,0|1,0,0]=3 3795 B14R2.11635 [13CH3]Oc1cccc2c1c(ccc2)Br 7a_100010089961_200025704644 [0,1,0,1,0,0|1,0,0]=3 3796 B14R2.11635 [13CH3]Oc1ccnc2c1c(ccc2)Br 34a_100010187735_200025704644 [0,1,0,1,0,0|2,0,0]=4 3797 B14R2.11635 [13CH3]Oc1nccc2c1c(ccc2)Br 34a_100010162479_200025704644 [0,1,0,1,0,0|2,0,0]=4 3798 B14R2.11635 [13CH3]Oc1nccc2c1c(ccc2)Cl 34a_200010297299_200025704644 [0,1,0,1,0,0|2,0,0]=4 3799 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)Br 62a_100010243825_200025704644 [0,1,0,1,0,0|1,1,0]=4 3800 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)Br 62a_200025704644_100010243825 [0,1,0,1,0,0|1,1,0]=4 3801 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)F 62a_100010177852_200025704644 [0,1,0,1,0,0|1,1,0]=4 3802 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)F 62a_200025704644_100010177852 [0,1,0,1,0,0|1,1,0]=4 3803 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)N 62a_100010002837_200025704644 [0,1,0,1,0,0|1,1,0]=4 3804 B14R2.11635 [13CH3]Sc1cccc2c1c(ccc2)O 62a_200025704644_100010089961 [0,1,0,1,0,0|1,1,0]=4 3805 B14R2.11691 COc1cccc2c1C(=O)OC2=O 7a_100000042631_200000210301 [0,1,0,1,0,0|1,0,0]=3 3806 B14R2.11691 CSc1cccc2c1C(=O)NC2=O 62a_100010194295_200000210301 [0,1,0,1,0,0|1,1,0]=4 3807 B14R2.11691 CSc1cccc2c1C(=O)OC2=O 62a_100010208102_200000210301 [0,1,0,1,0,0|1,1,0]=4 3808 B14R2.11691 [13CH3]Oc1cccc2c1C(=O)OC2=O 7a_100000042631_200025704644 [0,1,0,1,0,0|1,0,0]=3 3809 B14R2.11691 [13CH3]Sc1cccc2c1C(=O)NC2=O 62a_100010194295_200025704644 [0,1,0,1,0,0|1,1,0]=4 3810 B14R2.11691 [13CH3]Sc1cccc2c1C(=O)OC2=O 62a_100010208102_200025704644 [0,1,0,1,0,0|1,1,0]=4 3811 B14R2.203 CNc1c(ccc2c1cccc2)Br 34a_100009817101_200000210301 [0,1,0,1,0,0|2,0,0]=4 3812 B14R2.203 CNc1c(ccc2c1cccc2)C 34a_100000688109_200000210301 [0,1,0,1,0,0|2,0,0]=4 3813 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [0,1,0,1,0,0|2,0,0]=4 3814 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,1,0,1,0,0|1,0,1]=4 3815 B14R2.203 CNc1c(ccc2c1cccn2)C 34a_100011933972_200000210301 [0,1,0,1,0,0|2,0,0]=4 3816 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,1,0,1,0,0|1,0,0]=3 3817 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,1,0,1,0,0|1,0,0]=3 3818 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,1,0,1,0,0|1,0,0]=3 3819 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,1,0,1,0,0|1,0,0]=3 3820 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,1,0,1,0,0|1,0,0]=3 3821 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,1,0,1,0,0|0,0,1]=3 3822 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,1,0,1,0,0|2,0,0]=4 3823 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,1,0,1,0,0|2,0,0]=4 3824 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,1,0,1,0,0|2,0,0]=4 3825 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,1,0,1,0,0|1,0,1]=4 3826 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_100010090040_200000210301 [0,1,0,1,0,0|1,1,0]=4 3827 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_200000210301_100010090040 [0,1,0,1,0,0|1,1,0]=4 3828 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_100000759710_200000210301 [0,1,0,1,0,0|1,1,0]=4 3829 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_200000210301_100000759710 [0,1,0,1,0,0|1,1,0]=4 3830 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_100000705303_200000210301 [0,1,0,1,0,0|1,1,0]=4 3831 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_200000210301_100000705303 [0,1,0,1,0,0|1,1,0]=4 3832 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,1,0,1,0,0|0,1,1]=4 3833 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200000210301_200009995563 [0,1,0,1,0,0|1,1,0]=4 3834 B14R2.203 CSc1c(ccc2c1cccn2)N 62a_200009995563_200000210301 [0,1,0,1,0,0|1,1,0]=4 3835 B14R2.203 Cc1ccc2ccccc2c1N[13CH3] 34a_100000688109_200025704644 [0,1,0,1,0,0|2,0,0]=4 3836 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,1,0,1,0,0|1,0,0]=3 3837 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,1,0,1,0,0|1,0,0]=3 3838 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_100000759710_200025704644 [0,1,0,1,0,0|1,1,0]=4 3839 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000759710 [0,1,0,1,0,0|1,1,0]=4 3840 B14R2.203 Cc1ccc2ncccc2c1N[13CH3] 34a_100011933972_200025704644 [0,1,0,1,0,0|2,0,0]=4 3841 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Br 34a_100009817101_200025704644 [0,1,0,1,0,0|2,0,0]=4 3842 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [0,1,0,1,0,0|2,0,0]=4 3843 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,1,0,1,0,0|1,0,1]=4 3844 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,1,0,1,0,0|1,0,0]=3 3845 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,1,0,1,0,0|1,0,0]=3 3846 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,1,0,1,0,0|1,0,0]=3 3847 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,1,0,1,0,0|2,0,0]=4 3848 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,1,0,1,0,0|2,0,0]=4 3849 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,1,0,1,0,0|2,0,0]=4 3850 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_100010090040_200025704644 [0,1,0,1,0,0|1,1,0]=4 3851 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_200025704644_100010090040 [0,1,0,1,0,0|1,1,0]=4 3852 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_100000705303_200025704644 [0,1,0,1,0,0|1,1,0]=4 3853 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_200025704644_100000705303 [0,1,0,1,0,0|1,1,0]=4 3854 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,1,0,1,0,0|0,1,1]=4 3855 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200009995563_200025704644 [0,1,0,1,0,0|1,1,0]=4 3856 B14R2.203 [13CH3]Sc1c(ccc2c1cccn2)N 62a_200025704644_200009995563 [0,1,0,1,0,0|1,1,0]=4 3857 B14R2.517 C=C=Cc1c(oc2c1cccc2)C 271570a_100015277604_200010236113 [0,1,0,1,0,0|1,0,1]=4 3858 B14R2.517 CC=Cc1c(oc2c1cccc2)C 271570a_100016259895_200010236113 [0,1,0,1,0,0|1,0,0]=3 3859 B14R2.517 CC=Cc1c(sc2c1cccc2)C 271570a_100016259895_100010002616 [0,1,0,1,0,0|1,1,0]=4 3860 B14R2.517 CC=Cc1c2ccccc2nn1C 271570a_100016259895_100010163699 [0,1,0,1,0,0|2,0,0]=4 3861 B14R2.527 CCOc1cccc2c1CCC2=O 34a_100000240044_100000210202 [0,1,0,1,0,0|0,0,2]=4 3862 B14R2.527 CCOc1cccc2c1CCC2=O 7a_100000240044_100000210202 [0,1,0,1,0,0|0,0,2]=4 3863 B14R2.527 CCOc1cccc2c1CNC2=O 34a_100000098541_100000210202 [0,1,0,1,0,0|1,0,1]=4 3864 B14R2.527 CCOc1cccc2c1ccn2C 34a_100000094269_100000210202 [0,1,0,1,0,0|2,0,0]=4 3865 B14R2.527 Cn1ccc2c1cccc2OCF 34a_100000094269_100015361967 [0,1,0,1,0,0|2,0,0]=4 3866 B14R2.527 O=C1CCc2c1cccc2OCF 34a_100000240044_100015361967 [0,1,0,1,0,0|0,0,2]=4 3867 B14R2.527 O=C1CCc2c1cccc2OCF 7a_100000240044_100015361967 [0,1,0,1,0,0|0,0,2]=4 3868 B14R2.527 O=C1NCc2c1cccc2OCF 34a_100000098541_100015361967 [0,1,0,1,0,0|1,0,1]=4 3869 B14R2.892 O=CCNc1cccc2c1COC2 2230a_100000125316_200015260668 [0,1,0,1,0,0|1,0,1]=4 3870 B14R2.892 O=CCNc1cccc2c1COC2 34a_100000125316_200009817547 [0,1,0,1,0,0|1,0,1]=4 3871 B14R2.892 O=CCNc1cccc2c1OCC2 2230a_100000102157_200015260668 [0,1,0,1,0,0|1,0,1]=4 3872 B14R2.892 O=CCNc1cccc2c1OCC2 34a_100000102157_200009817547 [0,1,0,1,0,0|1,0,1]=4 3873 B14R2.892 O=CCNc1cccc2c1OCO2 2230a_100000699912_200015260668 [0,1,0,1,0,0|1,0,1]=4 3874 B14R2.892 O=CCNc1cccc2c1OCO2 34a_100000699912_200009817547 [0,1,0,1,0,0|1,0,1]=4 3875 B14R2.892 O=CCOc1cccc2c1OCO2 34a_100000046630_200009817547 [0,1,0,1,0,0|1,0,1]=4 3876 B14R2.892 O=CCOc1cccc2c1OCO2 7a_100000046630_200015260668 [0,1,0,1,0,0|1,0,1]=4 3877 B14R2.892 O=CCSc1cccc2c1COC2 62a_100010384907_200015260668 [0,1,0,1,0,0|1,0,1]=4 3878 B14R2.892 O=CCSc1cccc2c1COC2 62a_200015260668_100010384907 [0,1,0,1,0,0|1,0,1]=4 3879 B14R2.892 O=CCSc1cccc2c1OCC2 62a_100009818991_200015260668 [0,1,0,1,0,0|1,0,1]=4 3880 B14R2.892 O=CCSc1cccc2c1OCC2 62a_200015260668_100009818991 [0,1,0,1,0,0|1,0,1]=4 3881 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,1,0,0|1,0,1]=4 3882 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,1,0,0|1,0,1]=4 3883 B14R2.134 N#CC1=Cc2cc(ccc2OC1)O 271570a_203496583355_200010000632 [0,1,0,1,0,0|1,0,1]=4 3884 B14R2.134 O=CC1=Cc2cc(ccc2OC1)O 271570a_203496583355_100000739462 [0,1,0,1,0,0|0,0,0]=2 3885 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [0,1,0,1,0,0|1,0,1]=4 3886 B14R2.134 O=Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100010174008 [0,1,0,1,0,0|1,0,1]=4 3887 B14R2.1131 CNc1ccc(c2c1cccc2)Br 34a_100000766797_200000210301 [0,1,0,1,0,0|2,0,0]=4 3888 B14R2.1131 CNc1ccc(c2c1cccc2)Cl 34a_100011216319_200000210301 [0,1,0,1,0,0|2,0,0]=4 3889 B14R2.1131 CNc1ccc(c2c1cccc2)F 34a_100011988692_200000210301 [0,1,0,1,0,0|2,0,0]=4 3890 B14R2.1131 CNc1ccc(c2c1cccc2)O 34a_100000705857_200000210301 [0,1,0,1,0,0|2,0,0]=4 3891 B14R2.1131 CNc1ccc(c2c1cccn2)Br 34a_100012360041_200000210301 [0,1,0,1,0,0|2,0,0]=4 3892 B14R2.1131 CNc1ccc(c2c1cccn2)C 34a_100000736242_200000210301 [0,1,0,1,0,0|2,0,0]=4 3893 B14R2.1131 CNc1ccc(c2c1cccn2)Cl 34a_100000746469_200000210301 [0,1,0,1,0,0|2,0,0]=4 3894 B14R2.1131 CNc1ccc(c2c1cccn2)F 34a_102125277280_200000210301 [0,1,0,1,0,0|2,0,0]=4 3895 B14R2.1131 CNc1ccc(c2c1cccn2)O 34a_100000188197_200000210301 [0,1,0,1,0,0|2,0,0]=4 3896 B14R2.1131 COc1ccc(c2c1cccc2)Br 34a_100000186334_200000210301 [0,1,0,1,0,0|1,0,0]=3 3897 B14R2.1131 COc1ccc(c2c1cccc2)Br 7a_100000186334_200000210301 [0,1,0,1,0,0|1,0,0]=3 3898 B14R2.1131 COc1ccc(c2c1cccc2)C 34a_100000074455_200000210301 [0,1,0,1,0,0|1,0,0]=3 3899 B14R2.1131 COc1ccc(c2c1cccc2)C 7a_100000074455_200000210301 [0,1,0,1,0,0|1,0,0]=3 3900 B14R2.1131 COc1ccc(c2c1cccc2)Cl 34a_100000211000_200000210301 [0,1,0,1,0,0|1,0,0]=3 3901 B14R2.1131 COc1ccc(c2c1cccc2)Cl 7a_100000211000_200000210301 [0,1,0,1,0,0|1,0,0]=3 3902 B14R2.1131 COc1ccc(c2c1cccc2)F 34a_100000100223_200000210301 [0,1,0,1,0,0|1,0,0]=3 3903 B14R2.1131 COc1ccc(c2c1cccc2)F 7a_100000100223_200000210301 [0,1,0,1,0,0|1,0,0]=3 3904 B14R2.1131 COc1ccc(c2c1cccc2)N 34a_100000705857_200000210301 [0,1,0,1,0,0|1,0,0]=3 3905 B14R2.1131 COc1ccc(c2c1cccc2)N 7a_100000705857_200000210301 [0,1,0,1,0,0|1,0,0]=3 3906 B14R2.1131 COc1ccc(c2c1cccc2)O 271570a_203496583355_100011256618 [0,1,0,1,0,0|1,0,0]=3 3907 B14R2.1131 COc1ccc(c2c1nccc2)Br 34a_100011934063_200000210301 [0,1,0,1,0,0|2,0,0]=4 3908 B14R2.1131 COc1ccc(c2c1nccc2)Br 7a_100011934063_200000210301 [0,1,0,1,0,0|2,0,0]=4 3909 B14R2.1131 COc1ccc(c2c1nccc2)C 34a_100000058672_200000210301 [0,1,0,1,0,0|2,0,0]=4 3910 B14R2.1131 COc1ccc(c2c1nccc2)C 7a_100000058672_200000210301 [0,1,0,1,0,0|2,0,0]=4 3911 B14R2.1131 COc1ccc(c2c1nccc2)Cl 34a_100000212186_200000210301 [0,1,0,1,0,0|2,0,0]=4 3912 B14R2.1131 COc1ccc(c2c1nccc2)Cl 7a_100000212186_200000210301 [0,1,0,1,0,0|2,0,0]=4 3913 B14R2.1131 COc1ccc(c2c1nccc2)F 34a_100000034212_200000210301 [0,1,0,1,0,0|2,0,0]=4 3914 B14R2.1131 COc1ccc(c2c1nccc2)F 7a_100000034212_200000210301 [0,1,0,1,0,0|2,0,0]=4 3915 B14R2.1131 COc1ccc(c2c1nccc2)N 34a_100000188197_200000210301 [0,1,0,1,0,0|2,0,0]=4 3916 B14R2.1131 COc1ccc(c2c1nccc2)O 271570a_203496583355_100009820878 [0,1,0,1,0,0|2,0,0]=4 3917 B14R2.1131 COc1cnc(c2c1cccc2)Cl 34a_100000067196_200000210301 [0,1,0,1,0,0|2,0,0]=4 3918 B14R2.1131 COc1cnc(c2c1cccc2)Cl 7a_100000067196_200000210301 [0,1,0,1,0,0|2,0,0]=4 3919 B14R2.1131 COc1cnc(c2c1cccc2)O 271570a_203496583355_100009847308 [0,1,0,1,0,0|2,0,0]=4 3920 B14R2.1131 COc1ncc(c2c1cccc2)O 271570a_203496583355_100010220697 [0,1,0,1,0,0|2,0,0]=4 3921 B14R2.1131 CSc1ccc(c2c1cccc2)Br 62a_100012339872_200000210301 [0,1,0,1,0,0|1,1,0]=4 3922 B14R2.1131 CSc1ccc(c2c1cccc2)Br 62a_200000210301_100012339872 [0,1,0,1,0,0|1,1,0]=4 3923 B14R2.1131 CSc1ccc(c2c1cccc2)C 62a_100011215156_200000210301 [0,1,0,1,0,0|1,1,0]=4 3924 B14R2.1131 CSc1ccc(c2c1cccc2)C 62a_200000210301_100011215156 [0,1,0,1,0,0|1,1,0]=4 3925 B14R2.1131 CSc1ccc(c2c1cccc2)F 62a_100011218216_200000210301 [0,1,0,1,0,0|1,1,0]=4 3926 B14R2.1131 CSc1ccc(c2c1cccc2)F 62a_200000210301_100011218216 [0,1,0,1,0,0|1,1,0]=4 3927 B14R2.1131 CSc1ccc(c2c1cccc2)N 62a_100000766797_200000210301 [0,1,0,1,0,0|1,1,0]=4 3928 B14R2.1131 CSc1ccc(c2c1cccc2)O 62a_200000210301_100000186334 [0,1,0,1,0,0|1,1,0]=4 3929 B14R2.1131 CSc1ccc(c2c1cccn2)C 62a_200000210301_100000694312 [0,1,0,1,0,0|1,1,0]=4 3930 B14R2.1131 CSc1ccc(c2c1cccn2)F 62a_100010245834_200000210301 [0,1,0,1,0,0|1,1,0]=4 3931 B14R2.1131 CSc1ccc(c2c1cccn2)F 62a_200000210301_100010245834 [0,1,0,1,0,0|1,1,0]=4 3932 B14R2.1131 CSc1ccc(c2c1cccn2)N 62a_100000726955_200000210301 [0,1,0,1,0,0|1,1,0]=4 3933 B14R2.1131 CSc1ccc(c2c1cccn2)N 62a_200000210301_100000726955 [0,1,0,1,0,0|1,1,0]=4 3934 B14R2.1131 CSc1ccc(c2c1cccn2)O 62a_200000210301_100011934063 [0,1,0,1,0,0|1,1,0]=4 3935 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 34a_100000074455_200025704644 [0,1,0,1,0,0|1,0,0]=3 3936 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 7a_100000074455_200025704644 [0,1,0,1,0,0|1,0,0]=3 3937 B14R2.1131 Cc1ccc(c2c1cccc2)S[13CH3] 62a_100011215156_200025704644 [0,1,0,1,0,0|1,1,0]=4 3938 B14R2.1131 Cc1ccc(c2c1cccc2)S[13CH3] 62a_200025704644_100011215156 [0,1,0,1,0,0|1,1,0]=4 3939 B14R2.1131 Cc1ccc(c2c1cccn2)O[13CH3] 34a_100000058672_200025704644 [0,1,0,1,0,0|2,0,0]=4 3940 B14R2.1131 Cc1ccc(c2c1cccn2)O[13CH3] 7a_100000058672_200025704644 [0,1,0,1,0,0|2,0,0]=4 3941 B14R2.1131 Cc1ccc(c2c1nccc2)N[13CH3] 34a_100000736242_200025704644 [0,1,0,1,0,0|2,0,0]=4 3942 B14R2.1131 Cc1ccc(c2c1nccc2)S[13CH3] 62a_200025704644_100000694312 [0,1,0,1,0,0|1,1,0]=4 3943 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)Br 34a_100000766797_200025704644 [0,1,0,1,0,0|2,0,0]=4 3944 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)Cl 34a_100011216319_200025704644 [0,1,0,1,0,0|2,0,0]=4 3945 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)F 34a_100011988692_200025704644 [0,1,0,1,0,0|2,0,0]=4 3946 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)O 34a_100000705857_200025704644 [0,1,0,1,0,0|2,0,0]=4 3947 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)Br 34a_100012360041_200025704644 [0,1,0,1,0,0|2,0,0]=4 3948 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)Cl 34a_100000746469_200025704644 [0,1,0,1,0,0|2,0,0]=4 3949 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)F 34a_102125277280_200025704644 [0,1,0,1,0,0|2,0,0]=4 3950 B14R2.1131 [13CH3]Nc1ccc(c2c1cccn2)O 34a_100000188197_200025704644 [0,1,0,1,0,0|2,0,0]=4 3951 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Br 34a_100000186334_200025704644 [0,1,0,1,0,0|1,0,0]=3 3952 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Br 7a_100000186334_200025704644 [0,1,0,1,0,0|1,0,0]=3 3953 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 34a_100000211000_200025704644 [0,1,0,1,0,0|1,0,0]=3 3954 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 7a_100000211000_200025704644 [0,1,0,1,0,0|1,0,0]=3 3955 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)F 34a_100000100223_200025704644 [0,1,0,1,0,0|1,0,0]=3 3956 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)F 7a_100000100223_200025704644 [0,1,0,1,0,0|1,0,0]=3 3957 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)N 34a_100000705857_200025704644 [0,1,0,1,0,0|1,0,0]=3 3958 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)N 7a_100000705857_200025704644 [0,1,0,1,0,0|1,0,0]=3 3959 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Br 34a_100011934063_200025704644 [0,1,0,1,0,0|2,0,0]=4 3960 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Br 7a_100011934063_200025704644 [0,1,0,1,0,0|2,0,0]=4 3961 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Cl 34a_100000212186_200025704644 [0,1,0,1,0,0|2,0,0]=4 3962 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)Cl 7a_100000212186_200025704644 [0,1,0,1,0,0|2,0,0]=4 3963 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)F 34a_100000034212_200025704644 [0,1,0,1,0,0|2,0,0]=4 3964 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)F 7a_100000034212_200025704644 [0,1,0,1,0,0|2,0,0]=4 3965 B14R2.1131 [13CH3]Oc1ccc(c2c1nccc2)N 34a_100000188197_200025704644 [0,1,0,1,0,0|2,0,0]=4 3966 B14R2.1131 [13CH3]Oc1cnc(c2c1cccc2)Cl 34a_100000067196_200025704644 [0,1,0,1,0,0|2,0,0]=4 3967 B14R2.1131 [13CH3]Oc1cnc(c2c1cccc2)Cl 7a_100000067196_200025704644 [0,1,0,1,0,0|2,0,0]=4 3968 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)Br 62a_100012339872_200025704644 [0,1,0,1,0,0|1,1,0]=4 3969 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)Br 62a_200025704644_100012339872 [0,1,0,1,0,0|1,1,0]=4 3970 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)F 62a_100011218216_200025704644 [0,1,0,1,0,0|1,1,0]=4 3971 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)F 62a_200025704644_100011218216 [0,1,0,1,0,0|1,1,0]=4 3972 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)N 62a_100000766797_200025704644 [0,1,0,1,0,0|1,1,0]=4 3973 B14R2.1131 [13CH3]Sc1ccc(c2c1cccc2)O 62a_200025704644_100000186334 [0,1,0,1,0,0|1,1,0]=4 3974 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)F 62a_100010245834_200025704644 [0,1,0,1,0,0|1,1,0]=4 3975 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)F 62a_200025704644_100010245834 [0,1,0,1,0,0|1,1,0]=4 3976 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)N 62a_100000726955_200025704644 [0,1,0,1,0,0|1,1,0]=4 3977 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)N 62a_200025704644_100000726955 [0,1,0,1,0,0|1,1,0]=4 3978 B14R2.1131 [13CH3]Sc1ccc(c2c1cccn2)O 62a_200025704644_100011934063 [0,1,0,1,0,0|1,1,0]=4 3979 B14R2.1745 COc1ccc(c2c1CCC2=O)Br 34a_200010133748_200000210301 [0,1,0,1,0,0|0,0,2]=4 3980 B14R2.1745 COc1ccc(c2c1CCC2=O)Br 7a_200010133748_200000210301 [0,1,0,1,0,0|0,0,2]=4 3981 B14R2.1745 COc1ccc(c2c1CCC2=O)O 271570a_203496583355_100011836013 [0,1,0,1,0,0|0,0,2]=4 3982 B14R2.1745 [13CH3]Oc1ccc(c2c1CCC2=O)Br 34a_200010133748_200025704644 [0,1,0,1,0,0|0,0,2]=4 3983 B14R2.1745 [13CH3]Oc1ccc(c2c1CCC2=O)Br 7a_200010133748_200025704644 [0,1,0,1,0,0|0,0,2]=4 3984 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,1,0,0|2,0,0]=4 3985 B14R2.31359 C=C(C)c1cccc2c1cccc2 271570a_100000694244_100000210605 [0,1,0,1,0,0|2,0,0]=4 3986 B14R2.31359 C=C(C)c1cccc2c1cccn2 271570a_100000694244_100011290932 [0,1,0,1,0,0|2,0,0]=4 3987 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [0,1,0,1,0,0|2,0,0]=4 3988 B14R2.31359 CC(=O)c1cccc2c1cccn2 1458a_100000241005_200000210301 [0,1,0,1,0,0|2,0,0]=4 3989 B14R2.31359 CN(C)c1cccc2c1cccc2 2230a_100000220138_200000210301 [0,1,0,1,0,0|2,0,0]=4 3990 B14R2.31359 CN(C)c1cccc2c1cccc2 269982a_100000220138_200000210301 [0,1,0,1,0,0|2,0,0]=4 3991 B14R2.31359 CN(C)c1cccc2c1cccc2 34a_100000220138_200000210301 [0,1,0,1,0,0|2,0,0]=4 3992 B14R2.31359 CN(C)c1cccc2c1cccn2 27a_100102631434_100011290932 [0,1,0,1,0,0|2,0,0]=4 3993 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 2230a_100000220138_200025704644 [0,1,0,1,0,0|2,0,0]=4 3994 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 269982a_100000220138_200025704644 [0,1,0,1,0,0|2,0,0]=4 3995 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 34a_100000220138_200025704644 [0,1,0,1,0,0|2,0,0]=4 3996 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [0,1,0,1,0,0|2,0,0]=4 3997 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccn2 1458a_100000241005_200025704644 [0,1,0,1,0,0|2,0,0]=4 3998 B14R2.3818 COc1c(ccc2c1CCC2=O)C 34a_100009867297_200000210301 [0,1,0,1,0,0|0,0,2]=4 3999 B14R2.3818 COc1c(ccc2c1CCC2=O)C 7a_100009867297_200000210301 [0,1,0,1,0,0|0,0,2]=4 4000 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 34a_100009867297_200025704644 [0,1,0,1,0,0|0,0,2]=4 4001 B14R2.3818 Cc1ccc2c(c1O[13CH3])CCC2=O 7a_100009867297_200025704644 [0,1,0,1,0,0|0,0,2]=4