0 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,0|2,0,1]=3 33 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,0,0,0,0,0|2,0,1]=3 50 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,0|1,0,1]=2 54 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [0,0,0,0,0,0|2,0,1]=3 55 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.91 CC(O)C=Cc1cccnn1 271570a_200011019289_100016991348 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.91 CC(O)C=Cc1ccncn1 271570a_200011019289_100000703185 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.91 CC(O)C=Cc1ccnnc1 271570a_200011019289_100000732662 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.91 CC(O)C=Cc1cncnc1 271570a_200011019289_100011206942 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.91 CC(O)C=Cc1ncccn1 271570a_200011019289_100000211032 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,0|2,0,2]=4 64 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,0|2,0,2]=4 65 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,0|2,0,2]=4 66 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,0|2,0,2]=4 67 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,0|2,0,2]=4 68 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,0|2,0,2]=4 69 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,0|2,0,2]=4 70 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,0|2,0,2]=4 71 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,0|2,0,2]=4 72 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,0|2,0,2]=4 73 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,0|2,0,1]=3 74 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,0|2,0,1]=3 75 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,0|2,0,1]=3 76 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,0|2,0,1]=3 80 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,0|2,0,1]=3 81 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,0|1,0,2]=3 88 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,0|1,0,2]=3 89 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,0|2,0,2]=4 90 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,0|2,0,2]=4 91 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,0|1,0,2]=3 92 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,0|1,0,2]=3 93 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,0|2,0,2]=4 94 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,0|2,0,2]=4 95 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,0|2,0,2]=4 96 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,0|2,0,2]=4 97 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,0|2,0,2]=4 98 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,0|2,0,2]=4 99 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,0|2,0,2]=4 100 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,0|2,0,2]=4 101 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,0|2,0,2]=4 102 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,0|1,0,2]=3 103 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,0|2,0,2]=4 104 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,0|1,0,0]=1 105 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,0|2,0,0]=2 106 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,0|2,0,0]=2 108 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,0|1,0,2]=3 109 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,0|2,0,2]=4 110 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,0|2,0,2]=4 111 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,0|2,0,2]=4 112 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,0|2,0,1]=3 113 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,0|3,0,1]=4 115 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,0|2,0,1]=3 116 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,0|3,0,1]=4 117 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,0|3,0,1]=4 118 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|1,0,1]=3 125 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|1,0,1]=3 126 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|1,0,1]=3 127 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|1,0,1]=3 131 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|1,0,1]=3 132 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|1,0,2]=4 139 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|1,0,2]=4 140 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|1,0,2]=4 141 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|1,0,2]=4 142 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|1,0,2]=4 143 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,1,0,0,0,0|1,0,2]=4 145 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,1,0,0,0,0|1,0,2]=4 146 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,1,0,0,0,0|1,0,2]=4 147 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,1,0,0,0,0|1,0,0]=2 150 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,1,0,0,0,0|1,0,0]=2 151 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,1,0,0,0,0|1,0,0]=2 152 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,0|1,0,2]=4 155 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,0|1,0,2]=4 156 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,0|1,0,2]=4 157 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,0|1,0,2]=4 158 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,0|1,0,2]=4 159 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,0|1,0,2]=4 160 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,0|1,0,2]=4 162 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,0|1,0,2]=4 163 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,0|1,0,2]=4 164 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,0|1,0,2]=4 165 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.21 CC(C)C=Cc1ccc(cc1)Br 271570a_100016257149_100000752885 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.21 CC(C)C=Cc1ccc(cc1)F 271570a_100016257149_100000211213 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.21 CC(C)C=Cc1ccc(cc1)N 271570a_100016257149_100000185761 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.21 CC(O)C=Cc1cc[n+](cc1)[O-] 271570a_200011019289_100000039755 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.21 CC(O)C=Cc1ccc(=O)[nH]c1 271570a_200011019289_100000212171 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,1,0,0,0,0|1,0,1]=3 213 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,1,0,0,0,0|1,0,1]=3 214 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,1,0,0,0,0|1,0,1]=3 215 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,1,0,0,0,0|1,0,1]=3 216 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,1,0,0,0,0|1,0,1]=3 217 B12R1.21 CC(O)C=Cc1ccc(cn1)Br 271570a_200011019289_100000686858 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.21 CC(O)C=Cc1ccc(cn1)Cl 271570a_200011019289_100011356976 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.21 CC(O)C=Cc1ccc(cn1)F 271570a_200011019289_100000744514 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.21 CC(O)C=Cc1ccc(cn1)N 271570a_200011019289_100000744251 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.21 CC(O)C=Cc1ccc(cn1)O 271570a_200011019289_100000685995 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.21 CC(O)C=Cc1ccc(nc1)Br 271570a_200011019289_100009814638 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.21 CC(O)C=Cc1ccc(nc1)Cl 271570a_200011019289_100000034144 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.21 CC(O)C=Cc1ccc(nc1)F 271570a_200011019289_100000748661 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.21 CC(O)C=Cc1ccc(nc1)N 271570a_200011019289_100000187370 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,1,0,0,0,0|1,0,0]=2 227 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,1,0,0,0,0|1,0,1]=3 229 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,0|1,0,2]=4 230 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,0,0|1,0,2]=4 232 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,0|1,0,2]=4 236 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,0,0|1,0,2]=4 240 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,0,0|1,0,2]=4 241 B12R1.21 Cc1ccc(cn1)C=CC(C)O 271570a_200011019289_100000751577 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.21 Cc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000754016 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,0|1,0,2]=4 244 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,0,0|2,0,1]=4 259 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,0|1,0,2]=4 270 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,0,0|1,0,2]=4 271 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,0,0|1,0,2]=4 272 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,0,0|1,0,2]=4 273 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,0|1,0,2]=4 274 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,0,0|1,0,2]=4 275 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,0,0|1,0,2]=4 276 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,0,0|1,0,2]=4 277 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,0|1,0,2]=4 278 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,0|1,0,2]=4 279 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,0|1,0,2]=4 280 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,0|1,0,2]=4 281 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,0,0|1,0,2]=4 282 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,0,0|1,0,2]=4 283 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,0|1,0,2]=4 284 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,0|1,0,2]=4 285 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,0,0|1,0,2]=4 286 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,0,0|1,0,2]=4 287 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,0,0|1,0,2]=4 288 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,1,0,0,0,0|1,0,2]=4 289 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,1,0,0,0,0|1,0,2]=4 290 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,1,0,0,0,0|1,0,2]=4 291 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,1,0,0,0,0|1,0,0]=2 292 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,1,0,0,0,0|1,0,0]=2 293 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,1,0,0,0,0|1,0,0]=2 294 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,0|1,0,2]=4 298 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,0|1,0,2]=4 299 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,0|1,0,2]=4 300 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,0|1,0,2]=4 301 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,0|1,0,2]=4 302 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,0|2,0,1]=4 307 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,0|2,0,1]=4 310 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,0|1,0,2]=4 311 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,0|1,0,2]=4 312 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,1,0,0,0,0|1,0,2]=4 317 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,1,0,0,0,0|1,0,0]=2 318 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,0|1,0,2]=4 323 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,0|1,0,2]=4 324 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,0|2,0,1]=4 326 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 330 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,1,0,0,0,0|1,0,2]=4 335 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,1,0,0,0,0|1,0,0]=2 336 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,1,0,0,0,0|1,0,0]=2 337 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,0|1,0,2]=4 343 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,0|1,0,2]=4 344 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,0|1,0,2]=4 345 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,0|1,0,2]=4 346 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,0|2,0,1]=4 347 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,0|2,0,1]=4 350 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,0|2,0,1]=4 354 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,0|2,0,1]=4 355 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,0|2,0,1]=4 356 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,0|2,0,1]=4 358 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,0|2,0,1]=4 359 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,0|2,0,1]=4 363 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,0|2,0,1]=4 364 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,0|1,0,1]=3 368 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,0|1,0,1]=3 369 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,0|1,0,1]=3 370 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,0|2,0,1]=4 371 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,0|2,0,1]=4 372 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,1,0,0,0,0|2,0,1]=4 373 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,0|1,0,1]=3 374 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,0|1,0,1]=3 375 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,0|2,0,1]=4 378 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,1,0,0,0,0|1,0,2]=4 382 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,1,0,0,0,0|2,0,0]=3 384 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,1,0,0,0,0|2,0,0]=3 385 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [0,1,0,0,0,0|2,0,0]=3 386 B12R1.27 O=C(C=Cc1cncnc1)CBr 6a_100000749868_100009888967 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.27 O=C(C=Cc1cncnc1)CCl 6a_100000749868_100000086384 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.27 O=C(C=Cc1cncnc1)CF 6a_100000749868_100000764096 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,0|1,0,2]=4 390 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,0|2,0,1]=4 391 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,0|2,0,1]=4 392 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,0|0,0,2]=3 393 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,0|1,0,2]=4 394 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,0|1,0,2]=4 395 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,0|1,0,2]=4 396 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,0|1,0,1]=3 397 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,0|1,0,1]=3 398 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,0|2,0,1]=4 399 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,0|2,0,1]=4 400 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,0|2,0,1]=4 401 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,0|2,0,1]=4 402 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,0|2,0,1]=4 403 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,0|2,0,1]=4 404 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,1,0,0,0,0|2,0,0]=3 405 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,0|1,0,0]=2 409 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,1,0,0,0,0|2,0,0]=3 410 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,0|2,0,1]=4 413 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,0|1,0,0]=2 423 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,0|1,0,0]=2 424 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,0|1,0,0]=2 426 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|1,0,2]=4 429 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|1,0,2]=4 430 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,0|2,0,1]=4 431 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,0|2,0,1]=4 432 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,0|2,0,1]=4 433 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,0|2,0,1]=4 434 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,0|2,0,1]=4 435 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,0|2,0,1]=4 436 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,0|2,0,1]=4 437 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,0|2,0,1]=4 438 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,0|2,0,1]=4 439 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|1,0,2]=4 440 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|1,0,2]=4 441 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,0|2,0,1]=4 442 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,0|2,0,1]=4 443 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,0|2,0,1]=4 445 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,0|2,0,1]=4 446 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,0|2,0,1]=4 448 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,0|1,0,2]=4 449 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,0|2,0,1]=4 450 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,0|1,0,2]=4 451 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,0|0,0,3]=4 460 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,0,0,0,0|1,0,2]=4 461 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,0|1,0,2]=4 462 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,0|1,0,2]=4 463 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,0|1,0,2]=4 464 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,0|1,0,2]=4 465 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,0|1,0,0]=2 466 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,0|1,0,0]=2 467 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|1,0,2]=4 470 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,0|2,0,1]=4 471 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,0|1,0,0]=2 473 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,0|1,0,0]=2 474 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,0|1,0,1]=3 475 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,0|1,0,2]=4 479 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,0|1,0,2]=4 480 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,0|1,0,2]=4 481 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,0|1,0,2]=4 482 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,0|1,0,2]=4 484 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,0|1,0,2]=4 489 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,0|1,0,2]=4 490 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,0,0|2,0,1]=4 492 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,0,0|2,0,1]=4 493 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,0,0|2,0,1]=4 495 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,0|1,0,1]=3 496 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,0|1,0,2]=4 498 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,0|1,0,2]=4 499 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,0,0|1,0,1]=3 500 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,1,0,0,0,0|1,0,2]=4 501 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,0|0,0,2]=3 502 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,0|1,0,2]=4 503 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,0|1,0,1]=3 506 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,1,0,0,0,0|1,0,2]=4 507 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,0,0,0,0|1,0,0]=2 509 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,0,0,0,0|1,0,0]=2 510 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,0,0,0,0|1,0,0]=2 511 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,0|1,0,2]=4 512 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,0|1,0,2]=4 513 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,0|1,0,2]=4 514 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,0|1,0,2]=4 515 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,0|1,0,2]=4 516 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,0|1,0,2]=4 517 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,0|1,0,2]=4 518 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,0|1,0,2]=4 519 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,0|1,0,2]=4 520 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,0|1,0,2]=4 521 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,0|1,0,2]=4 522 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,0|2,0,1]=4 531 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,0|2,0,1]=4 532 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,0|2,0,1]=4 533 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,0|2,0,1]=4 534 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,0|2,0,1]=4 535 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,0|2,0,1]=4 536 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,0|2,0,1]=4 537 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,0|2,0,1]=4 538 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,0|2,0,1]=4 539 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,0|2,0,1]=4 540 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,0|2,0,1]=4 541 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,0|2,0,1]=4 542 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,0|2,0,1]=4 551 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,0|2,0,1]=4 552 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.125 CC(C)C=Cc1ccccc1Br 271570a_100016257149_100000695589 [0,1,0,0,0,0|2,0,1]=4 559 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.125 CC(C)C=Cc1ccccc1F 271570a_100016257149_100011215700 [0,1,0,0,0,0|2,0,1]=4 561 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [0,1,0,0,0,0|2,0,1]=4 562 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,1,0,0,0,0|2,0,1]=4 563 B12R1.125 CC(O)C=Cc1c[nH]ccc1=O 271570a_200011019289_100009998708 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.125 CC(O)C=Cc1c[nH]ccc1=S 271570a_200011019289_200012280681 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.125 CC(O)C=Cc1ccc[nH]c1=O 271570a_200011019289_100000050042 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.125 CC(O)C=Cc1cccc[n+]1C 271570a_200011019289_100000212160 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.125 CC(O)C=Cc1cccc[n+]1[O-] 271570a_200011019289_200000042595 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,1,0,0,0,0|1,0,1]=3 569 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,1,0,0,0,0|1,0,1]=3 570 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,1,0,0,0,0|1,0,1]=3 571 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,1,0,0,0,0|1,0,1]=3 572 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,1,0,0,0,0|1,0,1]=3 573 B12R1.125 CC(O)C=Cc1cccnc1Br 271570a_200011019289_100010202626 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.125 CC(O)C=Cc1cccnc1Cl 271570a_200011019289_100000036424 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.125 CC(O)C=Cc1cccnc1F 271570a_200011019289_100009816115 [0,1,0,0,0,0|2,0,1]=4 576 B12R1.125 CC(O)C=Cc1cccnc1N 271570a_200011019289_100000045569 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.125 CC(O)C=Cc1ccncc1Br 271570a_200011019289_100000726257 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.125 CC(O)C=Cc1ccncc1Cl 271570a_200011019289_100000708259 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.125 CC(O)C=Cc1ccncc1F 271570a_200011019289_100000047030 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.125 CC(O)C=Cc1ccncc1N 271570a_200011019289_100009815883 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.125 CC(O)C=Cc1ccncc1O 271570a_200011019289_100009817591 [0,1,0,0,0,0|2,0,1]=4 582 B12R1.125 CC(O)C=Cc1cnccc1Br 271570a_200011019289_100010138639 [0,1,0,0,0,0|2,0,1]=4 583 B12R1.125 CC(O)C=Cc1cnccc1Cl 271570a_200011019289_100009995489 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.125 CC(O)C=Cc1cnccc1F 271570a_200011019289_100009820683 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.125 CC(O)C=Cc1cnccc1N 271570a_200011019289_100000047001 [0,1,0,0,0,0|2,0,1]=4 586 B12R1.125 CC(O)C=Cc1ncccc1Br 271570a_200011019289_100000696092 [0,1,0,0,0,0|2,0,1]=4 587 B12R1.125 CC(O)C=Cc1ncccc1Cl 271570a_200011019289_100011356963 [0,1,0,0,0,0|2,0,1]=4 588 B12R1.125 CC(O)C=Cc1ncccc1F 271570a_200011019289_100000685392 [0,1,0,0,0,0|2,0,1]=4 589 B12R1.125 CC(O)C=Cc1ncccc1N 271570a_200011019289_100000688686 [0,1,0,0,0,0|2,0,1]=4 590 B12R1.125 CC(O)C=Cc1ncccc1O 271570a_200011019289_100000034122 [0,1,0,0,0,0|2,0,1]=4 591 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,1,0,0,0,0|1,0,1]=3 593 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,0|1,0,2]=4 594 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,0,0|1,0,2]=4 596 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,0,0|1,0,2]=4 600 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,0,0|1,0,2]=4 604 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,0,0|1,0,2]=4 605 B12R1.125 Cc1cccnc1C=CC(C)O 271570a_200011019289_100000751373 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.125 Cc1ccncc1C=CC(C)O 271570a_200011019289_100000761580 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.125 Cc1cnccc1C=CC(C)O 271570a_200011019289_100015191297 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.125 Cc1ncccc1C=CC(C)O 271570a_200011019289_100000751574 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,0|1,0,2]=4 610 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,0,0|2,0,1]=4 621 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,0,0|2,0,1]=4 622 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,0,0|2,0,1]=4 623 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,0,0|2,0,1]=4 624 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,0,0|2,0,1]=4 625 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,0,0|2,0,1]=4 627 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,0,0|2,0,1]=4 628 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,0,0|2,0,1]=4 629 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,0,0|2,0,1]=4 630 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,0,0|2,0,1]=4 631 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,0,0|2,0,1]=4 632 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,0,0|2,0,1]=4 633 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,0,0|2,0,1]=4 634 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,0,0|1,0,2]=4 637 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,0,0|1,0,2]=4 638 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,0,0|1,0,2]=4 639 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,0,0|1,0,2]=4 640 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,0|1,0,2]=4 641 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,0,0|1,0,2]=4 642 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,0,0|1,0,2]=4 643 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,0,0|1,0,2]=4 644 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,0,0|1,0,2]=4 645 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,0|1,0,2]=4 646 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,0,0|1,0,2]=4 647 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,0,0|1,0,2]=4 648 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,0,0|1,0,2]=4 649 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,0,0|1,0,2]=4 650 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,0|1,0,2]=4 651 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,0|1,0,2]=4 652 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,0,0|1,0,2]=4 653 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,0,0|1,0,2]=4 654 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,0,0|1,0,2]=4 655 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,0,0|1,0,2]=4 656 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,1,0,0,0,0|1,0,2]=4 657 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,0,0,0,0|1,0,0]=2 658 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,0,0,0,0|1,0,0]=2 659 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,0,0,0,0|1,0,0]=2 660 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,0,0,0,0|1,0,0]=2 661 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,0|1,0,2]=4 662 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,0|1,0,2]=4 663 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,0|1,0,2]=4 664 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,0|1,0,2]=4 665 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,0|1,0,2]=4 666 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,0|2,0,1]=4 667 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,0|2,0,1]=4 671 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,0|2,0,1]=4 672 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,0,0,0,0|1,0,0]=2 673 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,1,0,0,0,0|1,0,2]=4 674 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,1,0,0,0,0|1,0,2]=4 675 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,1,0,0,0,0|1,0,2]=4 676 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,1,0,0,0,0|1,0,2]=4 677 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,1,0,0,0,0|1,0,2]=4 678 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,0,0,0,0|1,0,0]=2 679 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,0,0,0,0|1,0,0]=2 680 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,0,0,0,0|1,0,0]=2 681 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,0,0,0,0|1,0,0]=2 682 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,0,0,0,0|1,0,0]=2 683 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,0|1,0,2]=4 684 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,0|1,0,2]=4 685 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,0|1,0,2]=4 686 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,0|1,0,2]=4 687 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,0|1,0,2]=4 688 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,0|1,0,2]=4 689 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,0|1,0,2]=4 690 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,0|1,0,2]=4 691 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,0|1,0,2]=4 692 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,0|1,0,2]=4 693 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,0|1,0,2]=4 694 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,0|2,0,1]=4 696 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,0|2,0,1]=4 698 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,0|2,0,1]=4 699 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,0|2,0,1]=4 700 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,0|2,0,1]=4 701 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,0|2,0,1]=4 702 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,0|2,0,1]=4 703 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,0|2,0,1]=4 704 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,0|2,0,1]=4 705 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,0|2,0,1]=4 706 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,0|2,0,1]=4 708 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,0|2,0,1]=4 709 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,0|2,0,1]=4 710 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,0|2,0,1]=4 711 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,0|2,0,1]=4 713 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,0|2,0,1]=4 714 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,0|2,0,1]=4 715 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,0|2,0,1]=4 717 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,0|2,0,1]=4 718 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,0|2,0,1]=4 719 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,0|2,0,1]=4 720 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,0|2,0,1]=4 721 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,0|2,0,1]=4 722 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.226 CC(C)C=Cc1cccc(c1)Br 271570a_100016257149_100000691529 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.226 CC(C)C=Cc1cccc(c1)Cl 271570a_100016257149_100000699651 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.226 CC(C)C=Cc1cccc(c1)F 271570a_100016257149_100000685547 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.226 CC(C)C=Cc1cccc(c1)N 271570a_100016257149_100000210019 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.226 CC(C)C=Cc1cccc(c1)O 271570a_100016257149_100000211634 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.226 CC(C)C=Cc1cccc(c1)[S] 271570a_100016257149_114929384022 [0,1,0,0,0,0|2,0,1]=4 733 B12R1.226 CC(O)C=Cc1cc(ccn1)Cl 271570a_200011019289_100010167805 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.226 CC(O)C=Cc1cc(ccn1)F 271570a_200011019289_100009817058 [0,1,0,0,0,0|2,0,1]=4 735 B12R1.226 CC(O)C=Cc1cc(ccn1)N 271570a_200011019289_100009814236 [0,1,0,0,0,0|2,0,1]=4 736 B12R1.226 CC(O)C=Cc1cc(ccn1)O 271570a_200011019289_100000762945 [0,1,0,0,0,0|2,0,1]=4 737 B12R1.226 CC(O)C=Cc1cc[nH]c(=O)c1 271570a_200011019289_100009816521 [0,1,0,0,0,0|2,0,1]=4 738 B12R1.226 CC(O)C=Cc1ccc[n+](c1)C 271570a_200011019289_100009996589 [0,1,0,0,0,0|2,0,1]=4 739 B12R1.226 CC(O)C=Cc1ccc[n+](c1)[O-] 271570a_200011019289_100009815978 [0,1,0,0,0,0|2,0,1]=4 740 B12R1.226 CC(O)C=Cc1cccc(=O)[nH]1 271570a_200011019289_100000761760 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [0,1,0,0,0,0|1,0,1]=3 742 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [0,1,0,0,0,0|1,0,1]=3 743 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [0,1,0,0,0,0|1,0,1]=3 744 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [0,1,0,0,0,0|1,0,1]=3 745 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [0,1,0,0,0,0|1,0,1]=3 746 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [0,1,0,0,0,0|1,0,1]=3 747 B12R1.226 CC(O)C=Cc1cccc(n1)Br 271570a_200011019289_100000684672 [0,1,0,0,0,0|2,0,1]=4 748 B12R1.226 CC(O)C=Cc1cccc(n1)F 271570a_200011019289_100009815982 [0,1,0,0,0,0|2,0,1]=4 749 B12R1.226 CC(O)C=Cc1cccc(n1)N 271570a_200011019289_100000740741 [0,1,0,0,0,0|2,0,1]=4 750 B12R1.226 CC(O)C=Cc1ccnc(c1)Br 271570a_200011019289_100009814637 [0,1,0,0,0,0|2,0,1]=4 751 B12R1.226 CC(O)C=Cc1ccnc(c1)Cl 271570a_200011019289_100000035001 [0,1,0,0,0,0|2,0,1]=4 752 B12R1.226 CC(O)C=Cc1ccnc(c1)F 271570a_200011019289_100009816116 [0,1,0,0,0,0|2,0,1]=4 753 B12R1.226 CC(O)C=Cc1ccnc(c1)N 271570a_200011019289_100000744379 [0,1,0,0,0,0|2,0,1]=4 754 B12R1.226 CC(O)C=Cc1cncc(c1)Br 271570a_200011019289_100000728054 [0,1,0,0,0,0|2,0,1]=4 755 B12R1.226 CC(O)C=Cc1cncc(c1)Cl 271570a_200011019289_100000049639 [0,1,0,0,0,0|2,0,1]=4 756 B12R1.226 CC(O)C=Cc1cncc(c1)F 271570a_200011019289_100000744099 [0,1,0,0,0,0|2,0,1]=4 757 B12R1.226 CC(O)C=Cc1cncc(c1)N 271570a_200011019289_100000687067 [0,1,0,0,0,0|2,0,1]=4 758 B12R1.226 CC(O)C=Cc1cncc(c1)O 271570a_200011019289_100000754920 [0,1,0,0,0,0|2,0,1]=4 759 B12R1.226 Cc1cc(ccn1)C=CC(C)O 271570a_200011019289_100000758586 [0,1,0,0,0,0|2,0,1]=4 760 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,1,0,0,0,0|1,0,2]=4 761 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,0,0,0,0|1,0,0]=2 762 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [0,1,0,0,0,0|1,0,1]=3 764 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,0|1,0,2]=4 765 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,0,0|2,0,1]=4 766 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,0,0|2,0,1]=4 767 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,0,0|1,0,2]=4 768 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,0,0|2,0,1]=4 769 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,0|2,0,1]=4 771 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,0,0|1,0,2]=4 772 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,0,0|2,0,1]=4 773 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,0,0|2,0,1]=4 774 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,0,0|1,0,2]=4 775 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,0,0|1,0,2]=4 776 B12R1.226 Cc1cccc(n1)C=CC(C)O 271570a_200011019289_100000742759 [0,1,0,0,0,0|2,0,1]=4 777 B12R1.226 Cc1ccnc(c1)C=CC(C)O 271570a_200011019289_100000750283 [0,1,0,0,0,0|2,0,1]=4 778 B12R1.226 Cc1cncc(c1)C=CC(C)O 271570a_200011019289_100000760492 [0,1,0,0,0,0|2,0,1]=4 779 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,0|1,0,2]=4 780 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,0,0|2,0,1]=4 781 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,0,0|2,0,1]=4 782 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,0,0|2,0,1]=4 783 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,0,0|2,0,1]=4 784 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,0,0|2,0,1]=4 785 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,0,0|2,0,1]=4 786 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,0,0|2,0,1]=4 787 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,0,0|2,0,1]=4 788 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,0,0|2,0,1]=4 789 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,0,0|2,0,1]=4 790 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,0,0|2,0,1]=4 791 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,0,0|2,0,1]=4 792 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,0,0|2,0,1]=4 795 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,0,0|2,0,1]=4 796 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,0,0|2,0,1]=4 797 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,0,0|2,0,1]=4 798 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,0,0|2,0,1]=4 799 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,0,0|2,0,1]=4 800 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,0,0|2,0,1]=4 801 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,0,0|1,0,2]=4 807 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,0,0|1,0,2]=4 808 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,0,0|1,0,2]=4 809 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,0,0|1,0,2]=4 810 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,0,0|1,0,2]=4 811 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,0,0|1,0,2]=4 812 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,0,0|1,0,2]=4 813 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,0,0|1,0,2]=4 814 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,0,0|1,0,2]=4 815 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,0,0|1,0,2]=4 816 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,0,0|1,0,2]=4 817 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,0,0|1,0,2]=4 818 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,0,0|1,0,2]=4 819 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,0,0|1,0,2]=4 820 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,0,0|1,0,2]=4 821 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,0,0|1,0,2]=4 822 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,0,0|1,0,2]=4 823 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,0,0|1,0,2]=4 824 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,0,0|1,0,2]=4 825 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,0,0|1,0,2]=4 826 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,0,0|1,0,2]=4 827 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,1,0,0,0,0|1,0,2]=4 828 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,1,0,0,0,0|1,0,2]=4 829 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,1,0,0,0,0|1,0,2]=4 830 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,1,0,0,0,0|1,0,2]=4 831 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,0,0,0,0|1,0,0]=2 832 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,0,0,0,0|1,0,0]=2 833 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,0,0,0,0|1,0,0]=2 834 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,0,0,0,0|1,0,0]=2 835 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,0|1,0,2]=4 836 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,0|1,0,2]=4 837 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,0|1,0,2]=4 838 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,0|1,0,2]=4 839 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,0|1,0,2]=4 840 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.891 CC(C)(C)C=Cc1ccccc1 271570a_100102527731_100000210277 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [0,1,0,0,0,0|1,0,1]=3 846 B12R1.891 CC(C)(O)C=Cc1ccccn1 271570a_200016258132_100011216584 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.891 CC(C)(O)C=Cc1cccnc1 271570a_200016258132_100000752921 [0,1,0,0,0,0|2,0,1]=4 848 B12R1.891 CC(C)(O)C=Cc1ccncc1 271570a_200016258132_100000035832 [0,1,0,0,0,0|2,0,1]=4 849 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,0,0,1,0,0|2,0,0]=3 850 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,0,1,0,0|1,0,0]=2 851 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,0,1,0,0|1,0,0]=2 852 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [0,0,0,1,0,0|2,0,0]=3 853 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [0,0,0,1,0,0|2,0,0]=3 854 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [0,0,0,1,0,0|2,0,0]=3 855 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [0,0,0,1,0,0|2,0,0]=3 856 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [0,0,0,1,0,0|2,0,0]=3 857 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [0,0,0,1,0,0|3,0,0]=4 858 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [0,0,0,1,0,0|3,0,0]=4 859 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [0,0,0,1,0,0|2,0,0]=3 860 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [0,0,0,1,0,0|2,0,0]=3 861 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [0,0,0,1,0,0|3,0,0]=4 862 B12R2.24 Oc1ccc2nccnc2n1 271570a_203496583355_100012351543 [0,0,0,1,0,0|3,0,0]=4 863 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [0,0,0,1,0,0|3,0,0]=4 864 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [0,0,0,1,0,0|3,0,0]=4 865 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,0,1,0,0|2,0,0]=3 866 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,0,0,1,0,0|2,0,0]=3 867 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [0,0,0,1,0,0|3,0,0]=4 868 B12R2.24 Oc1cnc2ncccc2n1 271570a_203496583355_100000084304 [0,0,0,1,0,0|3,0,0]=4 869 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,0,0,1,0,0|2,0,0]=3 870 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [0,0,0,1,0,0|2,0,1]=4 871 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|1,0,2]=4 872 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|1,0,2]=4 873 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,1,0|2,0,0]=3 874 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,1,0|3,0,0]=4 875 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,1,0|3,0,0]=4 876 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,1,0|3,0,0]=4 877 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,1,0|2,0,1]=4 878 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,1,0|1,0,1]=3 879 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,1,0|2,0,1]=4 880 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,1,0|2,0,1]=4 881 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,1,0|2,0,1]=4 882 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,1,0|2,0,1]=4 883 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,1,0|2,0,1]=4 884 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,1,0|2,0,0]=3 885 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,1,0|2,0,0]=3 886 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,1,0|2,0,0]=3 887 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,1,0|2,0,0]=3 888 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,1,0|2,0,1]=4 889 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,1,0|2,0,1]=4 890 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,1,0|2,0,1]=4 891 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,1,0|3,0,0]=4 892 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,1,0|2,0,0]=3 893 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,0,0,1,0|2,0,0]=3 894 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,1,0|2,0,0]=3 895 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,1,0|3,0,0]=4 896 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,1,0|3,0,0]=4 897 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,1,0|2,0,1]=4 898 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,0,0,0,1,0|2,0,1]=4 899 B10R1.66 CC(O)C=Cc1ccoc1 271570a_200011019289_100011215275 [0,0,0,0,1,0|2,0,1]=4 900 B10R1.66 CC(O)C=Cc1ccsc1 271570a_200011019289_100000738268 [0,0,0,0,1,0|2,0,1]=4 901 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,1,0|3,0,0]=4 902 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,1,0|2,0,0]=3 903 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,0,0,1,0|2,0,0]=3 904 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,1,0|2,0,0]=3 905 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,1,0|3,0,0]=4 906 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,1,0|3,0,0]=4 907 B12R1.252 C=C(C)C=NNc1ccccc1 4a_100015195140_100000210575 [0,0,0,0,0,1|3,0,0]=4 908 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,1|2,0,1]=4 909 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,1|2,0,1]=4 910 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,1|2,0,1]=4 911 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,1|2,0,1]=4 912 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,1|2,0,1]=4 913 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,1|1,0,0]=2 914 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,1|1,0,0]=2 915 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,1|1,0,0]=2 916 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,1|1,0,2]=4 917 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,1|1,0,2]=4 918 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,1|1,0,2]=4 919 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,1|1,0,2]=4 920 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,1|1,0,2]=4 921 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,1|1,0,2]=4 922 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,1|1,0,2]=4 923 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,1|1,0,2]=4 924 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,1|1,0,2]=4 925 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,1|1,0,2]=4 926 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,1|1,0,2]=4 927 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,1|1,0,2]=4 928 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,1|1,0,2]=4 929 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,1|1,0,2]=4 930 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,1|1,0,2]=4 931 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,1|1,0,2]=4 932 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,1|1,0,2]=4 933 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,1|1,0,2]=4 934 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,1|2,0,0]=3 935 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,0,0,0,0,1|3,0,0]=4 936 B12R1.252 CC(=O)NN=Cc1cccnc1 4a_100000189765_100000209961 [0,0,0,0,0,1|3,0,0]=4 937 B12R1.252 CC(=O)NN=Cc1ccncc1 4a_100000189765_100000186114 [0,0,0,0,0,1|3,0,0]=4 938 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,1|2,0,1]=4 939 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,1|2,0,1]=4 940 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,1|2,0,1]=4 941 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,1|2,0,1]=4 942 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,1|2,0,1]=4 943 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [0,0,0,0,0,1|2,0,1]=4 944 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [0,0,0,0,0,1|3,0,0]=4 945 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [0,0,0,0,0,1|3,0,0]=4 946 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [0,0,0,0,0,1|3,0,0]=4 947 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,1|1,0,2]=4 948 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,1|1,0,2]=4 949 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,1|1,0,2]=4 950 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,1|1,0,2]=4 951 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,1|1,0,2]=4 952 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,1|1,0,2]=4 953 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,1|1,0,2]=4 954 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,1|1,0,2]=4 955 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,1|1,0,2]=4 956 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,1|1,0,2]=4 957 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,1|1,0,2]=4 958 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,1|1,0,2]=4 959 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,1|0,0,2]=3 960 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,1|1,0,2]=4 961 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,1|1,0,2]=4 962 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,1|1,0,2]=4 963 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,1|0,0,3]=4 964 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,1|0,0,3]=4 965 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,1|0,0,3]=4 966 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,1|0,0,3]=4 967 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,1|1,0,0]=2 968 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,1|1,0,0]=2 969 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,1|1,0,2]=4 970 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,1|1,0,2]=4 971 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,1|1,0,2]=4 972 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,1|1,0,2]=4 973 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,1|1,0,2]=4 974 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|0,0,1]=3 975 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [2,0,0,0,0,0|1,0,1]=4 976 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [2,0,0,0,0,0|1,0,1]=4 977 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [2,0,0,0,0,0|1,0,1]=4 978 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,1]=3 979 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|1,0,1]=4 980 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,0,0,0,0,0|1,0,1]=4 981 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,0,0,0,0,0|1,0,1]=4 982 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|1,0,1]=4 984 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|1,0,1]=4 985 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|1,0,1]=4 986 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|1,0,1]=4 987 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|1,0,1]=4 988 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 989 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,1,0,0,0,0|1,0,1]=4 990 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,1,0,0,0,0|1,0,1]=4 991 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,2]=4 992 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,1,0,0,0,0|1,0,1]=4 993 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,1,0,0,0,0|1,0,1]=4 994 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,1,0,0,0,0|1,0,1]=4 995 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,1,0,0,0,0|1,0,1]=4 996 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,1,0,0,0,0|1,0,1]=4 997 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,1,0,0,0,0|1,0,1]=4 998 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 999 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,1,0,0,0,0|1,0,1]=4 1000 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,1,0,0,0,0|1,0,1]=4 1001 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,1,0,0,0,0|1,0,1]=4 1002 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,1,0,0,0,0|1,0,1]=4 1004 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,1,0,0,0,0|1,0,1]=4 1005 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,1,0,0,0,0|1,0,1]=4 1006 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,1,0,0,0,0|1,0,1]=4 1007 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,1,0,0,0,0|1,0,1]=4 1008 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,1,0,0,0,0|1,0,1]=4 1009 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,1,0,0,0,0|1,0,1]=4 1010 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,1,0,0,0,0|1,0,1]=4 1011 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,1,0,0,0,0|1,0,1]=4 1012 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|1,0,1]=4 1013 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,1,0,0,0,0|1,0,1]=4 1014 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|1,0,1]=4 1015 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|1,0,1]=4 1016 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|1,0,1]=4 1017 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|0,0,2]=4 1018 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,1,0,0,0,0|1,0,1]=4 1019 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,1,0,0,0,0|1,0,1]=4 1020 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,1,0,0,0,0|1,0,1]=4 1021 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,1,0,0,0,0|1,0,1]=4 1022 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,1,0,0,0,0|1,0,1]=4 1023 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,1]=4 1024 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,1,0,0,0,0|1,0,1]=4 1025 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,1,0,0,0,0|1,0,1]=4 1026 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,1,0,0,0,0|1,0,1]=4 1027 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|0,0,2]=4 1028 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,1,0,0,0,0|1,0,1]=4 1029 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,1,0,0,0,0|1,0,1]=4 1030 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,1,0,0,0,0|1,0,1]=4 1031 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,1,0,0,0,0|1,0,1]=4 1032 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,1]=4 1033 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,1,0,0,0,0|1,0,1]=4 1034 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,1,0,0,0,0|1,0,1]=4 1035 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,1,0,0,0,0|1,0,1]=4 1036 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,1,0,0,0,0|1,0,1]=4 1037 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,1,0,0,0,0|1,0,1]=4 1038 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,1,0,0,0,0|1,0,1]=4 1039 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,1,0,0,0,0|1,0,1]=4 1040 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,1,0,0,0,0|1,0,1]=4 1041 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,1,0,0,0,0|1,0,1]=4 1042 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,1,0,0,0,0|1,0,1]=4 1043 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,1,0,0,0,0|1,0,1]=4 1044 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,1,0,0,0,0|1,0,1]=4 1045 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,1,0,0,0,0|1,0,1]=4 1046 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,1,0,0,0,0|1,0,1]=4 1047 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,1,0,0,0,0|1,0,1]=4 1048 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,1,0,0,0,0|1,0,1]=4 1049 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [1,1,0,0,0,0|1,0,1]=4 1050 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [1,1,0,0,0,0|1,0,1]=4 1051 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,1,0,0,0,0|1,0,1]=4 1052 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,1,0,0,0,0|1,0,1]=4 1053 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [1,1,0,0,0,0|1,0,1]=4 1054 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [1,1,0,0,0,0|1,0,1]=4 1055 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [1,1,0,0,0,0|1,0,1]=4 1056 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [1,1,0,0,0,0|1,0,1]=4 1057 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [1,1,0,0,0,0|1,0,1]=4 1058 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [1,1,0,0,0,0|1,0,1]=4 1059 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [1,1,0,0,0,0|1,0,1]=4 1060 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [1,1,0,0,0,0|1,0,1]=4 1061 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [1,1,0,0,0,0|1,0,1]=4 1062 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [1,1,0,0,0,0|1,0,1]=4 1063 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [1,1,0,0,0,0|1,0,1]=4 1064 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [1,1,0,0,0,0|1,0,1]=4 1065 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [1,1,0,0,0,0|1,0,1]=4 1066 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [1,1,0,0,0,0|1,0,1]=4 1067 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [1,1,0,0,0,0|1,0,1]=4 1068 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [1,1,0,0,0,0|1,0,1]=4 1069 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [1,1,0,0,0,0|1,0,1]=4 1070 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [1,1,0,0,0,0|1,0,1]=4 1071 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [1,1,0,0,0,0|1,0,1]=4 1072 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [1,1,0,0,0,0|1,0,1]=4 1073 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [1,1,0,0,0,0|1,0,1]=4 1074 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [1,1,0,0,0,0|1,0,1]=4 1075 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [1,1,0,0,0,0|1,0,1]=4 1076 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [1,1,0,0,0,0|1,0,1]=4 1077 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [1,1,0,0,0,0|1,0,1]=4 1078 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [1,1,0,0,0,0|1,0,1]=4 1079 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [1,1,0,0,0,0|1,0,1]=4 1080 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|1,0,1]=4 1081 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 1082 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 1083 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|1,0,1]=4 1084 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|1,0,1]=4 1085 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|1,0,1]=4 1086 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 1087 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 1088 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|1,0,1]=4 1089 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|1,0,1]=4 1090 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 1091 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,1,0,0,0,0|1,0,1]=4 1092 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|1,0,1]=4 1093 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|1,0,1]=4 1094 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|1,0,1]=4 1095 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|1,0,1]=4 1096 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|1,0,1]=4 1097 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|1,0,1]=4 1098 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|0,0,1]=3 1099 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|0,0,1]=3 1100 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [1,1,0,0,0,0|1,0,1]=4 1101 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|0,0,1]=3 1102 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [1,1,0,0,0,0|1,0,1]=4 1103 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [1,1,0,0,0,0|1,0,1]=4 1104 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [1,1,0,0,0,0|1,0,1]=4 1105 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|0,1,1]=4 1106 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|0,1,1]=4 1107 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|0,0,2]=4 1108 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|0,0,2]=4 1109 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,2]=4 1110 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,2]=4 1111 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|0,0,2]=4 1112 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|0,0,2]=4 1113 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|1,0,1]=4 1114 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|1,0,1]=4 1115 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|0,0,1]=3 1116 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [1,1,0,0,0,0|1,0,1]=4 1117 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|0,1,1]=4 1118 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|0,1,1]=4 1119 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,1,0,0,0,0|1,0,1]=4 1120 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|0,0,2]=4 1123 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,1,0,0,0,0|1,0,1]=4 1124 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,1,0,0,0,0|1,0,1]=4 1125 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,1,0|2,0,0]=4 1126 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,1,0|2,0,0]=4 1127 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,1,0|2,0,0]=4 1128 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,1,0|2,0,0]=4 1129 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,1,0|2,0,0]=4 1130 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,1,0|2,0,0]=4 1131 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,1,0|1,0,1]=4 1132 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,1,0|1,0,1]=4 1133 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,1,0|1,0,1]=4 1134 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,1,0|1,0,1]=4 1135 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,1,0|1,0,1]=4 1136 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,1,0|1,0,1]=4 1137 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,1,0|1,0,1]=4 1138 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,1,0|1,0,1]=4 1139 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,1,0|1,0,1]=4 1140 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,1,0|1,0,1]=4 1141 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,1,0|1,0,1]=4 1142 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,1,0|1,0,1]=4 1143 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,1,0|2,0,0]=4 1144 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,1,0|2,0,0]=4 1145 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,1,0|2,0,0]=4 1146 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,1,0|2,0,0]=4 1147 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,1,0|2,0,0]=4 1148 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,1,0|2,0,0]=4 1149 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,1,0|2,0,0]=4 1150 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,1,0|2,0,0]=4 1151 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,1,0|2,0,0]=4 1152 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,1,0|2,0,0]=4 1153 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,1,0|2,0,0]=4 1154 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,1,0|2,0,0]=4 1155 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,1,0|2,0,0]=4 1156 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,1,0|2,0,0]=4 1157 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,1,0|2,0,0]=4 1158 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,1,0|2,0,0]=4 1159 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,1,0|2,0,0]=4 1160 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,1,0|2,0,0]=4 1161 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,1,0|2,0,0]=4 1162 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,1,0|2,0,0]=4 1163 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,1,0|2,0,0]=4 1164 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,1,0|2,0,0]=4 1165 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,1,0|2,0,0]=4 1166 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,1,0|2,0,0]=4 1167 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,1,0|1,0,1]=4 1168 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,1,0|1,0,1]=4 1169 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,1,0|2,0,0]=4 1170 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,1,0,0,1,0|2,0,0]=4 1171 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,1,0,0,1,0|2,0,0]=4 1172 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,1,0|1,0,1]=4 1173 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,1,0|1,0,1]=4 1174 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,1,0|1,0,1]=4 1175 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,1,0|1,0,1]=4 1176 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,1,0|1,0,1]=4 1177 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,1,0|1,0,0]=3 1178 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,1,0|1,0,0]=3 1179 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,1,0|2,0,0]=4 1180 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,1,0|1,0,1]=4 1181 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,1,0|1,0,1]=4 1182 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,1,0|2,0,0]=4 1183 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,1,0|2,0,0]=4 1184 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,1,0|2,0,0]=4 1185 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,1,0|1,0,1]=4 1186 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,1,0|1,0,1]=4 1187 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,1,0|1,0,1]=4 1188 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,1,0|1,0,1]=4 1189 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,1,0|1,0,1]=4 1190 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,1,0,0,1,0|2,0,0]=4 1191 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,1,0|2,0,0]=4 1192 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,1,0,0,1,0|2,0,0]=4 1193 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,1,0,0,1,0|2,0,0]=4 1194 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,1,0,0,1,0|2,0,0]=4 1195 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,1,0,0,1,0|2,0,0]=4 1196 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,1,0|1,0,1]=4 1197 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,1,0|1,0,1]=4 1198 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,1,0|1,0,1]=4 1199 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,1,0|1,0,1]=4 1200 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,1,0|1,0,1]=4 1201 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,1,0|1,0,1]=4 1202 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,1,0|1,0,1]=4 1203 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,1,0|1,0,1]=4 1204 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,1,0|1,0,1]=4 1205 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,1,0|1,0,1]=4 1206 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,1,0|1,0,1]=4 1207 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,1,0|1,0,1]=4 1208 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,1,0|2,0,0]=4 1209 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,1,0|2,0,0]=4 1210 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,1,0|2,0,0]=4 1211 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,1,0|2,0,0]=4 1212 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,1,0|2,0,0]=4 1213 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,1,0|2,0,0]=4 1214 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,1,0|2,0,0]=4 1215 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,1,0|2,0,0]=4 1216 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,1,0|2,0,0]=4 1217 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,1,0|2,0,0]=4 1218 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,1,0|2,0,0]=4 1219 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,1,0|2,0,0]=4 1220 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,1,0|2,0,0]=4 1221 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,1,0|2,0,0]=4 1222 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,1,0|2,0,0]=4 1223 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,1,0|2,0,0]=4 1224 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,1,0|2,0,0]=4 1225 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,1,0|2,0,0]=4 1226 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,1,0|2,0,0]=4 1227 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,1,0|2,0,0]=4 1228 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,1,0|1,0,1]=4 1229 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,1,0|1,0,1]=4 1230 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,1,0|2,0,0]=4 1231 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,1,0|1,0,1]=4 1232 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,1,0|1,0,1]=4 1233 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,1,0|1,0,1]=4 1234 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,1,0|1,0,1]=4 1235 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,1,0|1,0,1]=4 1236 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,1,0,0,1,0|2,0,0]=4 1237 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,1,0,0,1,0|2,0,0]=4 1238 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,1,0,0,1,0|2,0,0]=4 1239 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,1,0,0,1,0|2,0,0]=4 1240 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,1,0,0,1,0|2,0,0]=4 1241 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,1,0,0,1,0|2,0,0]=4 1242 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,1,0,0,1,0|2,0,0]=4 1243 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,1,0|1,0,1]=4 1244 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,1,0|1,0,1]=4 1245 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,1,0|1,0,1]=4 1246 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,1,0|1,0,1]=4 1247 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,1,0|1,0,1]=4 1248 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,1,0|1,0,1]=4 1249 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,1,0|1,0,1]=4 1250 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,1,0|1,0,1]=4 1251 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,1,0|1,0,1]=4 1252 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,1,0|1,0,1]=4 1253 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,1,0|1,0,1]=4 1254 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,1,0|1,0,1]=4 1255 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,1,0|1,0,1]=4 1256 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,1,0|2,0,0]=4 1257 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,1,0|2,0,0]=4 1258 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,1,0|2,0,0]=4 1259 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,1,0|2,0,0]=4 1260 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,1,0|2,0,0]=4 1261 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,1,0|2,0,0]=4 1262 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,1,0|2,0,0]=4 1263 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,1,0|2,0,0]=4 1264 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,1,0|2,0,0]=4 1265 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,1,0|2,0,0]=4 1266 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,1,0|2,0,0]=4 1267 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,1,0|2,0,0]=4 1268 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,1,0|2,0,0]=4 1269 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,1,0|2,0,0]=4 1270 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,1,0|2,0,0]=4 1271 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,1,0|2,0,0]=4 1272 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,1,0|2,0,0]=4 1273 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,1,0|2,0,0]=4 1274 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,1,0|2,0,0]=4 1275 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,1,0|2,0,0]=4 1276 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,1,0|2,0,0]=4 1277 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,1,0|2,0,0]=4 1278 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,1,0|2,0,0]=4 1279 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,1,0|2,0,0]=4 1280 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,1,0|1,0,1]=4 1281 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,1,0|1,0,1]=4 1282 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,1,0|2,0,0]=4 1283 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,1,0|1,0,1]=4 1284 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,1,0|1,0,1]=4 1285 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,1,0|1,0,1]=4 1286 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,1,0|1,0,1]=4 1287 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,1,0|1,0,1]=4 1288 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,1,0,0,1,0|2,0,0]=4 1289 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [0,1,0,0,1,0|2,0,0]=4 1290 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [0,1,0,0,1,0|2,0,0]=4 1291 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,1,0,0,1,0|2,0,0]=4 1292 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,1,0,0,1,0|2,0,0]=4 1293 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,1,0,0,1,0|2,0,0]=4 1294 B11R1.25 CNC(=O)C=Cc1ccoc1 11a_106832991635_100000238621 [0,1,0,0,1,0|2,0,0]=4 1295 B11R1.25 CNC(=O)C=Cc1ccoc1 1626a_100102657272_100000238621 [0,1,0,0,1,0|2,0,0]=4 1296 B11R1.25 CNC(=O)C=Cc1ccoc1 240690a_100102657272_100000238621 [0,1,0,0,1,0|2,0,0]=4 1297 B11R1.25 CNC(=O)C=Cc1ccsc1 11a_106832991635_100000698588 [0,1,0,0,1,0|2,0,0]=4 1298 B11R1.25 CNC(=O)C=Cc1ccsc1 1626a_100102657272_100000698588 [0,1,0,0,1,0|2,0,0]=4 1299 B11R1.25 CNC(=O)C=Cc1ccsc1 240690a_100102657272_100000698588 [0,1,0,0,1,0|2,0,0]=4 1300 B11R1.25 CNC(=O)C=Cc1ccsc1 527a_100102657272_100000698588 [0,1,0,0,1,0|2,0,0]=4 1301 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,1,0,0,1,0|2,0,0]=4 1302 B11R1.25 O=C(C=Cc1ccoc1)CF 1458a_100000238621_100015361967 [0,1,0,0,1,0|2,0,0]=4 1303 B11R1.25 O=C(C=Cc1ccsc1)CF 1458a_100000698588_100015361967 [0,1,0,0,1,0|2,0,0]=4 1304 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,1,0|2,0,0]=4 1305 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,1,0|2,0,0]=4 1306 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,1,0,0,1,0|2,0,0]=4 1307 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,1,0|2,0,0]=4 1308 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,1,0|2,0,0]=4 1309 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,1,0|2,0,0]=4 1310 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,1,0,0,1,0|2,0,0]=4 1311 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,0,1,0|2,0,0]=4 1312 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,1,0,0,1,0|2,0,0]=4 1313 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,1,0|2,0,0]=4 1314 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,0,1,0|2,0,0]=4 1315 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,1,0,0,1,0|2,0,0]=4 1316 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,1,0|2,0,0]=4 1317 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,1,0|2,0,0]=4 1318 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,1,0,0,1,0|2,0,0]=4 1319 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,1,0,0,1,0|2,0,0]=4 1320 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,1,0,0,1,0|2,0,0]=4 1321 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,1,0,0,1,0|2,0,0]=4 1322 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,1,0,0,0,1|2,0,0]=4 1323 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,1,0,0,0,1|1,0,1]=4 1324 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,1,0,0,0,1|1,0,1]=4 1325 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,1,0,0,0,1|1,0,1]=4 1326 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,1,0,0,0,1|1,0,1]=4 1327 B13R1.45 CC(=O)NN=C(C)c1ccccc1 4a_100000189765_100000185851 [0,1,0,0,0,1|2,0,0]=4 1328 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,1,0,0,0,1|2,0,0]=4 1329 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,1,0,0,0,1|2,0,0]=4 1330 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,1,0,0,0,1|0,0,2]=4 1331 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,1,0,0,0,1|1,0,1]=4 1332 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,1,0,0,0,1|1,0,1]=4 1333 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,1,0,0,0,1|1,0,1]=4 1334 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,1,0,0,0,1|1,0,1]=4 1335 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,1,0,0,0,1|1,0,1]=4 1336 B13R1.149 CC(=O)NN=Cc1cccc(c1)Br 4a_100000189765_100000210085 [0,1,0,0,0,1|2,0,0]=4 1337 B13R1.149 CC(=O)NN=Cc1cccc(c1)C 4a_100000189765_100000211157 [0,1,0,0,0,1|2,0,0]=4 1338 B13R1.149 CC(=O)NN=Cc1cccc(c1)Cl 4a_100000189765_100000210801 [0,1,0,0,0,1|2,0,0]=4 1339 B13R1.149 CC(=O)NN=Cc1cccc(c1)F 4a_100000189765_100000210812 [0,1,0,0,0,1|2,0,0]=4 1340 B13R1.149 CC(=O)NN=Cc1cccc(c1)I 4a_100000189765_100000014684 [0,1,0,0,0,1|2,0,0]=4 1341 B13R1.149 CC(=O)NN=Cc1cccc(c1)O 4a_100000189765_100000188321 [0,1,0,0,0,1|2,0,0]=4 1342 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,1,0,0,0,1|0,0,2]=4 1343 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [0,1,0,0,0,1|0,0,2]=4 1344 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [0,1,0,0,0,1|0,0,2]=4 1345 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [0,1,0,0,0,1|0,0,2]=4 1346 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [0,1,0,0,0,1|0,0,2]=4 1347 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [0,1,0,0,0,1|0,0,2]=4 1348 B13R1.158 CC(=O)NN=Cc1ccccc1Br 4a_100000189765_100000211189 [0,1,0,0,0,1|2,0,0]=4 1349 B13R1.158 CC(=O)NN=Cc1ccccc1C 4a_100000189765_100000211143 [0,1,0,0,0,1|2,0,0]=4 1350 B13R1.158 CC(=O)NN=Cc1ccccc1Cl 4a_100000189765_100000210073 [0,1,0,0,0,1|2,0,0]=4 1351 B13R1.158 CC(=O)NN=Cc1ccccc1F 4a_100000189765_100000210811 [0,1,0,0,0,1|2,0,0]=4 1352 B13R1.158 CC(=O)NN=Cc1ccccc1I 4a_100000189765_100000010305 [0,1,0,0,0,1|2,0,0]=4 1353 B13R1.158 CC(=O)NN=Cc1ccccc1O 4a_100000189765_100000185834 [0,1,0,0,0,1|2,0,0]=4 1354 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,0,0,0,1|0,0,2]=4 1355 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,1,0,0,0,1|0,0,2]=4 1356 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,1,0,0,0,1|0,0,2]=4 1357 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,1,0,0,0,1|0,0,2]=4 1358 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,1,0,0,0,1|0,0,2]=4 1359 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [0,1,0,0,0,1|2,0,0]=4 1361 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [0,1,0,0,0,1|2,0,0]=4 1362 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,1,0,0,0,1|2,0,0]=4 1363 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,1,0,0,0,1|2,0,0]=4 1364 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,1,0,0,0,1|2,0,0]=4 1365 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,1,0,0,0,1|2,0,0]=4 1366 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,1,0,0,0,1|2,0,0]=4 1367 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,1,0,0,0,1|2,0,0]=4 1368 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,1,0,0,0,1|2,0,0]=4 1369 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,1,0,0,0,1|2,0,0]=4 1370 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,1|1,0,1]=4 1371 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,1,0,0,0,1|1,0,1]=4 1372 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,0,0,0,1|1,0,1]=4 1373 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,1|0,0,2]=4 1374 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,1|0,0,2]=4 1375 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,1,0,0,0,1|1,0,1]=4 1376 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,1,0,0,0,1|1,0,1]=4 1377 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,1,0,0,0,1|1,0,1]=4 1378 B13R1.348 O=C(C=C(Cl)Cl)Cc1ccccc1 1458a_100000137448_100015291786 [0,1,0,0,0,1|2,0,0]=4 1379 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 1626a_100000106764_100000137448 [0,1,0,0,0,1|2,0,0]=4 1380 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,1|0,0,2]=4 1381 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,1|1,0,1]=4 1382 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,1|1,0,1]=4 1383 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,1|1,0,1]=4 1384 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,1|1,0,1]=4 1385 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|0,0,2]=4 1386 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,1,0,0,0,1|1,0,1]=4 1387 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [0,1,0,0,0,1|2,0,0]=4 1388 B13R1.513 CC(=O)NN=Cc1ccc(cc1)Br 4a_100000189765_100000186029 [0,1,0,0,0,1|2,0,0]=4 1389 B13R1.513 CC(=O)NN=Cc1ccc(cc1)C 4a_100000189765_100000211033 [0,1,0,0,0,1|2,0,0]=4 1390 B13R1.513 CC(=O)NN=Cc1ccc(cc1)Cl 4a_100000189765_100000189385 [0,1,0,0,0,1|2,0,0]=4 1391 B13R1.513 CC(=O)NN=Cc1ccc(cc1)F 4a_100000189765_100000210084 [0,1,0,0,0,1|2,0,0]=4 1392 B13R1.513 CC(=O)NN=Cc1ccc(cc1)I 4a_100000189765_100000188517 [0,1,0,0,0,1|2,0,0]=4 1393 B13R1.513 CC(=O)NN=Cc1ccc(cc1)O 4a_100000189765_100000185832 [0,1,0,0,0,1|2,0,0]=4 1394 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,1,0,0,0,1|0,0,2]=4 1395 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,1,0,0,0,1|0,0,2]=4 1396 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,1,0,0,0,1|0,0,2]=4 1397 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,1,0,0,0,1|0,0,2]=4 1398 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,1,0,0,0,1|0,0,2]=4 1399 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,1,0,0,0,1|1,0,0]=3 1400 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,1,0,0,0,1|1,0,0]=3 1401 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,1,0,0,0,1|1,0,0]=3 1402 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,1,0,0,0,1|1,0,0]=3 1403 B13R1.718 CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210202 [0,1,0,0,0,1|1,0,0]=3 1404 B13R1.718 CCC(=O)NN=Cc1ccccc1 4a_100000183195_100015611070 [0,1,0,0,0,1|2,0,0]=4 1405 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,1,0,0,0,1|1,0,0]=3 1406 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,1,0,0,0,1|1,0,0]=3 1407 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,1,0,0,0,1|1,0,0]=3 1408 B13R1.718 CNC(=O)C=CSc1ccccc1 11a_106832991635_100016262050 [0,1,0,0,0,1|1,0,0]=3 1409 B13R1.718 CNC(=O)C=CSc1ccccc1 1626a_100102657272_100016262050 [0,1,0,0,0,1|1,0,0]=3 1410 B13R1.718 CNC(=O)C=CSc1ccccc1 240690a_100102657272_100016262050 [0,1,0,0,0,1|1,0,0]=3 1411 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,1,0,0,0,1|1,0,0]=3 1412 B13R1.718 COC(=O)C=NNc1ccccn1 4a_100000183288_200011823558 [0,1,0,0,0,1|2,0,0]=4 1413 B13R1.718 COC(=O)C=NNc1cccnc1 4a_100000728903_200011823558 [0,1,0,0,0,1|2,0,0]=4 1414 B13R1.718 COC(=O)C=NNc1ccncc1 4a_100000698918_200011823558 [0,1,0,0,0,1|2,0,0]=4 1415 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,1,0,0,0,1|0,0,2]=4 1416 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,1,0,0,0,1|0,0,2]=4 1417 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,1,0,0,0,1|0,0,2]=4 1418 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,1,0,0,0,1|0,0,2]=4 1419 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,1,0,0,0,1|0,0,2]=4 1420 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,1|0,0,2]=4 1421 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,1|0,0,2]=4 1422 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,1|0,0,2]=4 1423 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,1|0,0,2]=4 1424 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,1|0,0,2]=4 1425 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,1|0,0,2]=4 1426 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,1,0,0,0,1|1,0,1]=4 1427 B13R1.718 O=C(C=CSc1ccccc1)CF 1458a_100016262050_100015361967 [0,1,0,0,0,1|1,0,0]=3 1428 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,1,0,0,0,1|1,0,0]=3 1429 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,1,0,0,0,1|0,0,0]=2 1430 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,1,0,0,0,1|0,0,2]=4 1431 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,1|0,0,2]=4 1432 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,1|0,0,2]=4 1433 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,1|0,0,2]=4 1434 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,1|0,0,2]=4 1435 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,1|0,0,2]=4 1436 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,1|0,0,2]=4 1437 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,1,0,0,0,1|1,0,1]=4 1438 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [0,2,0,0,0,0|1,0,0]=3 1439 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,2,0,0,0,0|1,0,0]=3 1440 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [0,2,0,0,0,0|1,0,0]=3 1441 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [0,2,0,0,0,0|1,0,0]=3 1442 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [0,2,0,0,0,0|1,0,0]=3 1443 B13R1.3 CC(O)C=Cc1ccc(cc1)C#N 271570a_200011019289_100000179745 [0,2,0,0,0,0|1,0,1]=4 1444 B13R1.3 CC(O)C=Cc1ccc(cc1)C=O 271570a_200011019289_100000186029 [0,2,0,0,0,0|1,0,1]=4 1445 B13R1.3 CC(O)C=Cc1ccc(cc1)CF 271570a_200011019289_100010268989 [0,2,0,0,0,0|1,0,1]=4 1446 B13R1.3 CC(O)C=Cc1ccc(cc1)CN 271570a_200011019289_100016989417 [0,2,0,0,0,0|1,0,1]=4 1447 B13R1.3 CC(O)C=Cc1ccc(cc1)CO 271570a_200011019289_100000690907 [0,2,0,0,0,0|1,0,1]=4 1448 B13R1.3 CC(O)C=Cc1ccc(cc1)NN 271570a_200011019289_100016988836 [0,2,0,0,0,0|1,0,1]=4 1449 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,2,0,0,0,0|1,0,0]=3 1450 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,2,0,0,0,0|1,0,0]=3 1451 B13R1.3 CCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011215824 [0,2,0,0,0,0|1,0,1]=4 1452 B13R1.3 CNc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000219623 [0,2,0,0,0,0|1,0,1]=4 1453 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,2,0,0,0,0|1,0,0]=3 1454 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,2,0,0,0,0|1,0,1]=4 1455 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,2,0,0,0,0|1,0,0]=3 1456 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,2,0,0,0,0|1,0,0]=3 1457 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,2,0,0,0,0|1,0,1]=4 1458 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [0,2,0,0,0,0|1,0,0]=3 1459 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [0,2,0,0,0,0|1,0,0]=3 1460 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [0,2,0,0,0,0|1,0,0]=3 1461 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [0,2,0,0,0,0|1,0,0]=3 1462 B13R1.3 CSc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011263217 [0,2,0,0,0,0|1,0,1]=4 1463 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,2,0,0,0,0|1,0,1]=4 1465 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [0,2,0,0,0,0|1,0,0]=3 1466 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [0,2,0,0,0,0|1,0,0]=3 1467 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [0,2,0,0,0,0|1,0,0]=3 1468 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [0,2,0,0,0,0|1,0,0]=3 1469 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [0,2,0,0,0,0|1,0,0]=3 1470 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [0,2,0,0,0,0|1,0,0]=3 1471 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [0,2,0,0,0,0|1,0,0]=3 1472 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [0,2,0,0,0,0|1,0,0]=3 1473 B13R1.14 CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211110 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210202 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211110 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.14 CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210202 [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [0,2,0,0,0,0|1,0,0]=3 1478 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [0,2,0,0,0,0|1,0,0]=3 1479 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [0,2,0,0,0,0|1,0,0]=3 1480 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [0,2,0,0,0,0|1,0,0]=3 1481 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [0,2,0,0,0,0|1,0,0]=3 1482 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [0,2,0,0,0,0|1,0,0]=3 1483 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [0,2,0,0,0,0|1,0,0]=3 1484 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [0,2,0,0,0,0|1,0,0]=3 1485 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [0,2,0,0,0,0|1,0,0]=3 1486 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [0,2,0,0,0,0|1,0,0]=3 1487 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [0,2,0,0,0,0|1,0,0]=3 1488 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [0,2,0,0,0,0|1,0,0]=3 1489 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [0,2,0,0,0,0|1,0,0]=3 1490 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [0,2,0,0,0,0|1,0,0]=3 1491 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [0,2,0,0,0,0|1,0,0]=3 1492 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 11a_106832991635_100020630499 [0,2,0,0,0,0|2,0,0]=4 1493 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 1626a_100102657272_100020630499 [0,2,0,0,0,0|2,0,0]=4 1494 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 240690a_100102657272_100020630499 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 11a_106832991635_100020588214 [0,2,0,0,0,0|2,0,0]=4 1496 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 1626a_100102657272_100020588214 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 240690a_100102657272_100020588214 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,2,0,0,0,0|0,0,0]=2 1499 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [0,2,0,0,0,0|0,0,2]=4 1500 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,2,0,0,0,0|0,0,2]=4 1501 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,2,0,0,0,0|1,0,1]=4 1502 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,2,0,0,0,0|1,0,1]=4 1503 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [0,2,0,0,0,0|1,0,1]=4 1504 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,2,0,0,0,0|1,0,1]=4 1505 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,2,0,0,0,0|1,0,1]=4 1506 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [0,2,0,0,0,0|1,0,1]=4 1507 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [0,2,0,0,0,0|1,0,1]=4 1508 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [0,2,0,0,0,0|1,0,1]=4 1509 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,2,0,0,0,0|1,0,1]=4 1510 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,2,0,0,0,0|1,0,1]=4 1511 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,2,0,0,0,0|1,0,1]=4 1512 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,2,0,0,0,0|1,0,1]=4 1513 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,2,0,0,0,0|1,0,1]=4 1514 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,2,0,0,0,0|1,0,1]=4 1515 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,2,0,0,0,0|1,0,1]=4 1516 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,2,0,0,0,0|1,0,1]=4 1517 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,2,0,0,0,0|1,0,1]=4 1518 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,2,0,0,0,0|1,0,1]=4 1519 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,2,0,0,0,0|1,0,1]=4 1520 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,2,0,0,0,0|1,0,1]=4 1521 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,2,0,0,0,0|1,0,1]=4 1522 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [0,2,0,0,0,0|1,0,1]=4 1523 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [0,2,0,0,0,0|1,0,1]=4 1524 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,2,0,0,0,0|1,0,1]=4 1525 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,2,0,0,0,0|1,0,1]=4 1526 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [0,2,0,0,0,0|1,0,1]=4 1527 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [0,2,0,0,0,0|1,0,1]=4 1528 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [0,2,0,0,0,0|1,0,1]=4 1529 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [0,2,0,0,0,0|1,0,1]=4 1530 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [0,2,0,0,0,0|1,0,1]=4 1531 B13R1.14 Cc1ccc(cc1)C=CC(=O)CF 1458a_100000716854_100015361967 [0,2,0,0,0,0|1,0,0]=3 1532 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,2,0,0,0,0|0,0,2]=4 1533 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [0,2,0,0,0,0|1,0,1]=4 1534 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [0,2,0,0,0,0|1,0,1]=4 1535 B13R1.14 Cc1ccc(cc1)NNC(=O)CO 22a_100000683527_100000210174 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CBr 6a_100000186029_100009888967 [0,2,0,0,0,0|1,0,0]=3 1537 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000086384 [0,2,0,0,0,0|1,0,0]=3 1538 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 1458a_100016267368_100015361967 [0,2,0,0,0,0|1,0,0]=3 1539 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 6a_100000186029_100000764096 [0,2,0,0,0,0|1,0,0]=3 1540 B13R1.14 O=C(C=Cc1ccc(cc1)Cl)CF 1458a_100000184863_100015361967 [0,2,0,0,0,0|1,0,0]=3 1541 B13R1.14 O=C(C=Cc1ccc(cc1)F)CBr 6a_100000210084_100009888967 [0,2,0,0,0,0|1,0,0]=3 1542 B13R1.14 O=C(C=Cc1ccc(cc1)F)CCl 6a_100000210084_100000086384 [0,2,0,0,0,0|1,0,0]=3 1543 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 1458a_100000182136_100015361967 [0,2,0,0,0,0|1,0,0]=3 1544 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 6a_100000210084_100000764096 [0,2,0,0,0,0|1,0,0]=3 1545 B13R1.14 O=C(C=Cc1ccc(cc1)I)CBr 6a_100000188517_100009888967 [0,2,0,0,0,0|1,0,0]=3 1546 B13R1.14 O=C(C=Cc1ccc(cc1)I)CCl 6a_100000188517_100000086384 [0,2,0,0,0,0|1,0,0]=3 1547 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 1458a_100102526154_100015361967 [0,2,0,0,0,0|1,0,0]=3 1548 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 6a_100000188517_100000764096 [0,2,0,0,0,0|1,0,0]=3 1549 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CBr 6a_100000754260_100009888967 [0,2,0,0,0,0|2,0,0]=4 1550 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CCl 6a_100000754260_100000086384 [0,2,0,0,0,0|2,0,0]=4 1551 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CF 6a_100000754260_100000764096 [0,2,0,0,0,0|2,0,0]=4 1552 B13R1.14 O=C(C=Cc1ccc(cn1)F)CBr 6a_100011934744_100009888967 [0,2,0,0,0,0|2,0,0]=4 1553 B13R1.14 O=C(C=Cc1ccc(cn1)F)CCl 6a_100011934744_100000086384 [0,2,0,0,0,0|2,0,0]=4 1554 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 1458a_100020630499_100015361967 [0,2,0,0,0,0|2,0,0]=4 1555 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 6a_100011934744_100000764096 [0,2,0,0,0,0|2,0,0]=4 1556 B13R1.14 O=C(C=Cc1ccc(nc1)Br)CF 1458a_100020588214_100015361967 [0,2,0,0,0,0|2,0,0]=4 1557 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,2,0,0,0,0|0,0,2]=4 1558 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,2,0,0,0,0|0,0,2]=4 1559 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,2,0,0,0,0|0,0,2]=4 1560 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,2,0,0,0,0|0,0,2]=4 1561 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [0,2,0,0,0,0|1,0,1]=4 1562 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [0,2,0,0,0,0|1,0,1]=4 1563 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,2,0,0,0,0|1,0,1]=4 1564 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,2,0,0,0,0|1,0,1]=4 1565 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [0,2,0,0,0,0|1,0,1]=4 1566 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [0,2,0,0,0,0|1,0,1]=4 1567 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [0,2,0,0,0,0|1,0,1]=4 1568 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [0,2,0,0,0,0|1,0,1]=4 1569 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1570 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1571 B13R1.14 O=C(CO)NNc1ccc(cc1)Br 22a_100000735608_100000210174 [0,2,0,0,0,0|2,0,0]=4 1572 B13R1.14 O=C(CO)NNc1ccc(cc1)Cl 22a_100000683521_100000210174 [0,2,0,0,0,0|2,0,0]=4 1573 B13R1.14 O=C(CO)NNc1ccc(cc1)F 22a_100000728448_100000210174 [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.14 O=C(CO)NNc1ccc(cc1)I 22a_100016988836_100000210174 [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,2,0,0,0,0|1,0,1]=4 1576 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,2,0,0,0,0|1,0,1]=4 1577 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,2,0,0,0,0|1,0,1]=4 1578 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,2,0,0,0,0|1,0,1]=4 1579 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,2,0,0,0,0|1,0,1]=4 1580 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,2,0,0,0,0|1,0,1]=4 1581 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,2,0,0,0,0|1,0,1]=4 1582 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,2,0,0,0,0|1,0,1]=4 1583 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,2,0,0,0,0|1,0,1]=4 1584 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,2,0,0,0,0|1,0,1]=4 1585 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,2,0,0,0,0|1,0,1]=4 1586 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,2,0,0,0,0|1,0,1]=4 1587 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,2,0,0,0,0|0,0,2]=4 1588 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,2,0,0,0,0|1,0,1]=4 1589 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,2,0,0,0,0|1,0,1]=4 1590 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,2,0,0,0,0|1,0,1]=4 1591 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,2,0,0,0,0|1,0,1]=4 1592 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,2,0,0,0,0|1,0,1]=4 1593 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Br 1458a_100000185839_100020667443 [0,2,0,0,0,0|0,0,2]=4 1594 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [0,2,0,0,0,0|0,0,2]=4 1595 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)F 1458a_100000187176_100020667443 [0,2,0,0,0,0|0,0,2]=4 1596 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [0,2,0,0,0,0|0,0,2]=4 1597 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,2,0,0,0,0|0,0,2]=4 1598 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,2,0,0,0,0|1,0,1]=4 1599 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,2,0,0,0,0|1,0,1]=4 1600 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,2,0,0,0,0|1,0,1]=4 1601 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,2,0,0,0,0|1,0,1]=4 1602 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,2,0,0,0,0|1,0,0]=3 1603 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,2,0,0,0,0|1,0,0]=3 1604 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,2,0,0,0,0|2,0,0]=4 1606 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,2,0,0,0,0|2,0,0]=4 1607 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,2,0,0,0,0|2,0,0]=4 1612 B13R1.164 CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000210301 [0,2,0,0,0,0|1,0,0]=3 1613 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000210301 [0,2,0,0,0,0|1,0,0]=3 1614 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000210301 [0,2,0,0,0,0|1,0,0]=3 1615 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000210301 [0,2,0,0,0,0|1,0,0]=3 1616 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000210301 [0,2,0,0,0,0|1,0,0]=3 1617 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000210301 [0,2,0,0,0,0|1,0,0]=3 1618 B13R1.164 CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000210301 [0,2,0,0,0,0|1,0,0]=3 1619 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Br 271570a_200011019289_100011484698 [0,2,0,0,0,0|1,0,1]=4 1620 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Cl 271570a_200011019289_100011219703 [0,2,0,0,0,0|1,0,1]=4 1621 B13R1.164 CC(O)C=Cc1ccc(cc1Br)F 271570a_200011019289_100011217111 [0,2,0,0,0,0|1,0,1]=4 1622 B13R1.164 CC(O)C=Cc1ccc(cc1Br)N 271570a_200011019289_100000750458 [0,2,0,0,0,0|1,0,1]=4 1623 B13R1.164 CC(O)C=Cc1ccc(cc1Br)O 271570a_200011019289_100000701344 [0,2,0,0,0,0|1,0,1]=4 1624 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Br 271570a_200011019289_100011216062 [0,2,0,0,0,0|1,0,1]=4 1625 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Cl 271570a_200011019289_100000699841 [0,2,0,0,0,0|1,0,1]=4 1626 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)F 271570a_200011019289_100000733362 [0,2,0,0,0,0|1,0,1]=4 1627 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)N 271570a_200011019289_100000761885 [0,2,0,0,0,0|1,0,1]=4 1628 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)O 271570a_200011019289_100000047559 [0,2,0,0,0,0|1,0,1]=4 1629 B13R1.164 CC(O)C=Cc1ccc(cc1F)Br 271570a_200011019289_100009814013 [0,2,0,0,0,0|1,0,1]=4 1630 B13R1.164 CC(O)C=Cc1ccc(cc1F)Cl 271570a_200011019289_100011216042 [0,2,0,0,0,0|1,0,1]=4 1631 B13R1.164 CC(O)C=Cc1ccc(cc1F)F 271570a_200011019289_100000750030 [0,2,0,0,0,0|1,0,1]=4 1632 B13R1.164 CC(O)C=Cc1ccc(cc1F)N 271570a_200011019289_100011356925 [0,2,0,0,0,0|1,0,1]=4 1633 B13R1.164 CC(O)C=Cc1ccc(cc1F)O 271570a_200011019289_100000755031 [0,2,0,0,0,0|1,0,1]=4 1634 B13R1.164 CC(O)C=Cc1ccc(cc1N)Br 271570a_200011019289_100000743836 [0,2,0,0,0,0|1,0,1]=4 1635 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [0,2,0,0,0,0|1,0,1]=4 1636 B13R1.164 CC(O)C=Cc1ccc(cc1N)F 271570a_200011019289_100011218093 [0,2,0,0,0,0|1,0,1]=4 1637 B13R1.164 CC(O)C=Cc1ccc(cc1N)N 271570a_200011019289_200012175722 [0,2,0,0,0,0|1,0,1]=4 1638 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [0,2,0,0,0,0|1,0,1]=4 1639 B13R1.164 CC(O)C=Cc1ccc(cc1O)Br 271570a_200011019289_100012344904 [0,2,0,0,0,0|1,0,1]=4 1640 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [0,2,0,0,0,0|1,0,1]=4 1641 B13R1.164 CC(O)C=Cc1ccc(cc1O)F 271570a_200011019289_100000690578 [0,2,0,0,0,0|1,0,1]=4 1642 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [0,2,0,0,0,0|1,0,1]=4 1643 B13R1.164 Cc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100000701812 [0,2,0,0,0,0|1,0,1]=4 1644 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [0,2,0,0,0,0|1,0,1]=4 1645 B13R1.164 Cc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100011205405 [0,2,0,0,0,0|1,0,1]=4 1646 B13R1.164 Cc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000210723 [0,2,0,0,0,0|1,0,1]=4 1647 B13R1.164 Cc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100000729255 [0,2,0,0,0,0|1,0,1]=4 1648 B13R1.164 Cc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100009813563 [0,2,0,0,0,0|1,0,1]=4 1649 B13R1.164 Cc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100011217332 [0,2,0,0,0,0|1,0,1]=4 1650 B13R1.164 Cc1ccc(c(c1)Cl)C=CC(C)O 271570a_200011019289_100011263221 [0,2,0,0,0,0|1,0,1]=4 1651 B13R1.164 Cc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100011216119 [0,2,0,0,0,0|1,0,1]=4 1652 B13R1.164 Cc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100011216686 [0,2,0,0,0,0|1,0,1]=4 1653 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100012002257 [0,2,0,0,0,0|1,0,1]=4 1654 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200025704644 [0,2,0,0,0,0|1,0,0]=3 1655 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200025704644 [0,2,0,0,0,0|1,0,0]=3 1656 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200025704644 [0,2,0,0,0,0|1,0,0]=3 1657 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200025704644 [0,2,0,0,0,0|1,0,0]=3 1658 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200025704644 [0,2,0,0,0,0|1,0,0]=3 1659 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200025704644 [0,2,0,0,0,0|1,0,0]=3 1660 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200025704644 [0,2,0,0,0,0|1,0,0]=3 1661 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [0,2,0,0,0,0|1,0,0]=3 1663 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,2,0,0,0,0|1,0,0]=3 1664 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [0,2,0,0,0,0|1,0,0]=3 1665 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [0,2,0,0,0,0|1,0,0]=3 1666 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [0,2,0,0,0,0|1,0,0]=3 1667 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [0,2,0,0,0,0|1,0,0]=3 1668 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,2,0,0,0,0|1,0,0]=3 1669 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [0,2,0,0,0,0|1,0,0]=3 1670 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [0,2,0,0,0,0|1,0,0]=3 1671 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [0,2,0,0,0,0|1,0,0]=3 1672 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [0,2,0,0,0,0|1,0,0]=3 1673 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Br 271570a_200011019289_100012356285 [0,2,0,0,0,0|1,0,1]=4 1674 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Cl 271570a_200011019289_100012353702 [0,2,0,0,0,0|1,0,1]=4 1675 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)F 271570a_200011019289_100012047266 [0,2,0,0,0,0|1,0,1]=4 1676 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)N 271570a_200011019289_100000750455 [0,2,0,0,0,0|1,0,1]=4 1677 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [0,2,0,0,0,0|1,0,1]=4 1678 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Br 271570a_200011019289_100012047281 [0,2,0,0,0,0|1,0,1]=4 1679 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Cl 271570a_200011019289_100011214914 [0,2,0,0,0,0|1,0,1]=4 1680 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)F 271570a_200011019289_100011215976 [0,2,0,0,0,0|1,0,1]=4 1681 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)N 271570a_200011019289_100011218065 [0,2,0,0,0,0|1,0,1]=4 1682 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [0,2,0,0,0,0|1,0,1]=4 1683 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Br 271570a_200011019289_100000685389 [0,2,0,0,0,0|1,0,1]=4 1684 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Cl 271570a_200011019289_100011216805 [0,2,0,0,0,0|1,0,1]=4 1685 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)F 271570a_200011019289_100000750028 [0,2,0,0,0,0|1,0,1]=4 1686 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)N 271570a_200011019289_100011215594 [0,2,0,0,0,0|1,0,1]=4 1687 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [0,2,0,0,0,0|1,0,1]=4 1688 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Br 271570a_200011019289_100000750456 [0,2,0,0,0,0|1,0,1]=4 1689 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Cl 271570a_200011019289_200000761891 [0,2,0,0,0,0|1,0,1]=4 1690 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)F 271570a_200011019289_100000740924 [0,2,0,0,0,0|1,0,1]=4 1691 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)N 271570a_200011019289_100000741789 [0,2,0,0,0,0|1,0,1]=4 1692 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [0,2,0,0,0,0|1,0,1]=4 1693 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Br 271570a_200011019289_100012356990 [0,2,0,0,0,0|1,0,1]=4 1694 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [0,2,0,0,0,0|1,0,1]=4 1695 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)F 271570a_200011019289_100000686035 [0,2,0,0,0,0|1,0,1]=4 1696 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)N 271570a_200011019289_100000739049 [0,2,0,0,0,0|1,0,1]=4 1697 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [0,2,0,0,0,0|1,0,1]=4 1698 B13R1.511 Cc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100009813585 [0,2,0,0,0,0|1,0,1]=4 1699 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [0,2,0,0,0,0|1,0,1]=4 1700 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [0,2,0,0,0,0|1,0,0]=3 1701 B13R1.511 Cc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011218330 [0,2,0,0,0,0|1,0,1]=4 1702 B13R1.511 Cc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000211769 [0,2,0,0,0,0|1,0,1]=4 1703 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [0,2,0,0,0,0|1,0,1]=4 1704 B13R1.511 Cc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011847877 [0,2,0,0,0,0|1,0,1]=4 1705 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [0,2,0,0,0,0|1,0,0]=3 1706 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [0,2,0,0,0,0|1,0,1]=4 1707 B13R1.511 Cc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100011216363 [0,2,0,0,0,0|1,0,1]=4 1708 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [0,2,0,0,0,0|1,0,0]=3 1709 B13R1.511 Cc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000720648 [0,2,0,0,0,0|1,0,1]=4 1710 B13R1.511 Cc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000761890 [0,2,0,0,0,0|1,0,1]=4 1711 B13R1.511 Cc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000766334 [0,2,0,0,0,0|1,0,1]=4 1712 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [0,2,0,0,0,0|1,0,0]=3 1713 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [0,2,0,0,0,0|1,0,0]=3 1714 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,2,0,0,0,0|1,0,0]=3 1715 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [0,2,0,0,0,0|1,0,0]=3 1716 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [0,2,0,0,0,0|1,0,0]=3 1717 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,2,0,0,0,0|1,0,0]=3 1718 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [0,2,0,0,0,0|1,0,0]=3 1719 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [0,2,0,0,0,0|1,0,0]=3 1720 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [0,2,0,0,0,0|1,0,0]=3 1721 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Br 271570a_200016258132_100000752885 [0,2,0,0,0,0|1,0,1]=4 1722 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Cl 271570a_200016258132_100000755918 [0,2,0,0,0,0|1,0,1]=4 1723 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)F 271570a_200016258132_100000211213 [0,2,0,0,0,0|1,0,1]=4 1724 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)N 271570a_200016258132_100000185761 [0,2,0,0,0,0|1,0,1]=4 1725 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)O 271570a_200016258132_100000185759 [0,2,0,0,0,0|1,0,1]=4 1726 B13R1.512 Cc1ccc(cc1)C=CC(C)(C)O 271570a_200016258132_100000186775 [0,2,0,0,0,0|1,0,1]=4 1727 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [0,2,0,0,0,0|1,0,1]=4 1728 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,2,0,0,0,0|1,0,1]=4 1729 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [0,2,0,0,0,0|1,0,0]=3 1730 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,2,0,0,0,0|0,0,2]=4 1731 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,2,0,0,0,0|1,0,0]=3 1732 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,2,0,0,0,0|1,0,1]=4 1733 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,2,0,0,0,0|1,0,1]=4 1734 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,2,0,0,0,0|1,0,0]=3 1735 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,2,0,0,0,0|1,0,0]=3 1736 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,2,0,0,0,0|1,0,0]=3 1737 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,2,0,0,0,0|1,0,0]=3 1738 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,2,0,0,0,0|1,0,1]=4 1739 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,2,0,0,0,0|0,0,1]=3 1740 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,2,0,0,0,0|1,0,1]=4 1741 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,2,0,0,0,0|1,0,1]=4 1742 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,2,0,0,0,0|1,0,1]=4 1743 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,2,0,0,0,0|1,0,1]=4 1744 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,2,0,0,0,0|1,0,1]=4 1745 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,2,0,0,0,0|1,0,1]=4 1746 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,2,0,0,0,0|1,0,1]=4 1747 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,2,0,0,0,0|1,0,1]=4 1748 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,2,0,0,0,0|1,0,1]=4 1749 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,2,0,0,0,0|0,0,1]=3 1750 B13R1.11 O=C(CO)CC(=O)c1ccccn1 1458a_100000210174_100000027445 [0,2,0,0,0,0|1,0,1]=4 1751 B13R1.11 O=C(CO)CC(=O)c1cccnc1 1458a_100000210174_100015188593 [0,2,0,0,0,0|1,0,1]=4 1752 B13R1.11 O=C(CO)CC(=O)c1ccncc1 1458a_100000210174_100000027454 [0,2,0,0,0,0|1,0,1]=4 1753 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,2,0,0,0,0|0,0,2]=4 1754 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,2,0,0,0,0|0,0,2]=4 1755 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [0,2,0,0,0,0|1,0,0]=3 1756 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [0,2,0,0,0,0|1,0,0]=3 1757 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [0,2,0,0,0,0|1,0,0]=3 1758 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [0,2,0,0,0,0|1,0,0]=3 1759 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [0,2,0,0,0,0|1,0,0]=3 1760 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [0,2,0,0,0,0|1,0,0]=3 1761 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [0,2,0,0,0,0|1,0,0]=3 1762 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [0,2,0,0,0,0|1,0,0]=3 1763 B13R1.15 CCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000211110 [0,2,0,0,0,0|2,0,0]=4 1764 B13R1.15 CCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211110 [0,2,0,0,0,0|2,0,0]=4 1765 B13R1.15 CCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000211110 [0,2,0,0,0,0|2,0,0]=4 1766 B13R1.15 CCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000211110 [0,2,0,0,0,0|2,0,0]=4 1767 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [0,2,0,0,0,0|1,0,0]=3 1768 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [0,2,0,0,0,0|1,0,0]=3 1769 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [0,2,0,0,0,0|1,0,0]=3 1770 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [0,2,0,0,0,0|1,0,0]=3 1771 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [0,2,0,0,0,0|1,0,0]=3 1772 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [0,2,0,0,0,0|1,0,0]=3 1773 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [0,2,0,0,0,0|1,0,0]=3 1774 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [0,2,0,0,0,0|1,0,0]=3 1775 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [0,2,0,0,0,0|1,0,0]=3 1776 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [0,2,0,0,0,0|1,0,0]=3 1777 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [0,2,0,0,0,0|1,0,0]=3 1778 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [0,2,0,0,0,0|1,0,0]=3 1779 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [0,2,0,0,0,0|1,0,0]=3 1780 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [0,2,0,0,0,0|1,0,0]=3 1781 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [0,2,0,0,0,0|1,0,0]=3 1782 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,2,0,0,0,0|0,0,0]=2 1783 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,2,0,0,0,0|0,0,2]=4 1784 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [0,2,0,0,0,0|1,0,1]=4 1785 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,2,0,0,0,0|1,0,1]=4 1786 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,2,0,0,0,0|1,0,1]=4 1787 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [0,2,0,0,0,0|1,0,1]=4 1788 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [0,2,0,0,0,0|1,0,1]=4 1789 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [0,2,0,0,0,0|1,0,1]=4 1790 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [0,2,0,0,0,0|1,0,1]=4 1791 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [0,2,0,0,0,0|1,0,1]=4 1792 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [0,2,0,0,0,0|1,0,1]=4 1793 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,2,0,0,0,0|1,0,1]=4 1794 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,2,0,0,0,0|1,0,1]=4 1795 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [0,2,0,0,0,0|1,0,1]=4 1796 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [0,2,0,0,0,0|1,0,1]=4 1797 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [0,2,0,0,0,0|1,0,1]=4 1798 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [0,2,0,0,0,0|1,0,1]=4 1799 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [0,2,0,0,0,0|1,0,1]=4 1800 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [0,2,0,0,0,0|1,0,1]=4 1801 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [0,2,0,0,0,0|1,0,1]=4 1802 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [0,2,0,0,0,0|1,0,1]=4 1803 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [0,2,0,0,0,0|1,0,1]=4 1804 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [0,2,0,0,0,0|1,0,1]=4 1805 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,2,0,0,0,0|1,0,1]=4 1806 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,2,0,0,0,0|1,0,1]=4 1807 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [0,2,0,0,0,0|1,0,1]=4 1808 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [0,2,0,0,0,0|1,0,1]=4 1809 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [0,2,0,0,0,0|1,0,1]=4 1810 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [0,2,0,0,0,0|1,0,1]=4 1811 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [0,2,0,0,0,0|1,0,1]=4 1812 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [0,2,0,0,0,0|1,0,1]=4 1813 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [0,2,0,0,0,0|1,0,1]=4 1814 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [0,2,0,0,0,0|1,0,1]=4 1815 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [0,2,0,0,0,0|1,0,1]=4 1816 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [0,2,0,0,0,0|1,0,1]=4 1817 B13R1.15 Cc1cccc(c1)C=CC(=O)CF 1458a_100000690095_100015361967 [0,2,0,0,0,0|1,0,0]=3 1818 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,2,0,0,0,0|0,0,2]=4 1819 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [0,2,0,0,0,0|1,0,1]=4 1820 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [0,2,0,0,0,0|1,0,1]=4 1821 B13R1.15 Cc1cccc(c1)NNC(=O)CO 22a_100000681630_100000210174 [0,2,0,0,0,0|2,0,0]=4 1822 B13R1.15 Cc1cncc(c1)C=CC(=O)CBr 6a_100011998712_100009888967 [0,2,0,0,0,0|2,0,0]=4 1823 B13R1.15 Cc1cncc(c1)C=CC(=O)CCl 6a_100011998712_100000086384 [0,2,0,0,0,0|2,0,0]=4 1824 B13R1.15 Cc1cncc(c1)C=CC(=O)CF 6a_100011998712_100000764096 [0,2,0,0,0,0|2,0,0]=4 1825 B13R1.15 O=C(C=Cc1cccc(c1)Br)CBr 6a_100000210085_100009888967 [0,2,0,0,0,0|1,0,0]=3 1826 B13R1.15 O=C(C=Cc1cccc(c1)Br)CCl 6a_100000210085_100000086384 [0,2,0,0,0,0|1,0,0]=3 1827 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 1458a_100016258244_100015361967 [0,2,0,0,0,0|1,0,0]=3 1828 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 6a_100000210085_100000764096 [0,2,0,0,0,0|1,0,0]=3 1829 B13R1.15 O=C(C=Cc1cccc(c1)Cl)CF 1458a_100000184502_100015361967 [0,2,0,0,0,0|1,0,0]=3 1830 B13R1.15 O=C(C=Cc1cccc(c1)F)CBr 6a_100000210812_100009888967 [0,2,0,0,0,0|1,0,0]=3 1831 B13R1.15 O=C(C=Cc1cccc(c1)F)CCl 6a_100000210812_100000086384 [0,2,0,0,0,0|1,0,0]=3 1832 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 1458a_100000718793_100015361967 [0,2,0,0,0,0|1,0,0]=3 1833 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 6a_100000210812_100000764096 [0,2,0,0,0,0|1,0,0]=3 1834 B13R1.15 O=C(C=Cc1cccc(c1)I)CBr 6a_100000014684_100009888967 [0,2,0,0,0,0|1,0,0]=3 1835 B13R1.15 O=C(C=Cc1cccc(c1)I)CCl 6a_100000014684_100000086384 [0,2,0,0,0,0|1,0,0]=3 1836 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 1458a_100020647043_100015361967 [0,2,0,0,0,0|1,0,0]=3 1837 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 6a_100000014684_100000764096 [0,2,0,0,0,0|1,0,0]=3 1838 B13R1.15 O=C(C=Cc1cncc(c1)Br)CBr 6a_100000687066_100009888967 [0,2,0,0,0,0|2,0,0]=4 1839 B13R1.15 O=C(C=Cc1cncc(c1)Br)CCl 6a_100000687066_100000086384 [0,2,0,0,0,0|2,0,0]=4 1840 B13R1.15 O=C(C=Cc1cncc(c1)Br)CF 6a_100000687066_100000764096 [0,2,0,0,0,0|2,0,0]=4 1841 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CBr 6a_100000088910_100009888967 [0,2,0,0,0,0|2,0,0]=4 1842 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CCl 6a_100000088910_100000086384 [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CF 6a_100000088910_100000764096 [0,2,0,0,0,0|2,0,0]=4 1844 B13R1.15 O=C(C=Cc1cncc(c1)F)CBr 6a_100011361476_100009888967 [0,2,0,0,0,0|2,0,0]=4 1845 B13R1.15 O=C(C=Cc1cncc(c1)F)CCl 6a_100011361476_100000086384 [0,2,0,0,0,0|2,0,0]=4 1846 B13R1.15 O=C(C=Cc1cncc(c1)F)CF 6a_100011361476_100000764096 [0,2,0,0,0,0|2,0,0]=4 1847 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,2,0,0,0,0|0,0,2]=4 1848 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,2,0,0,0,0|0,0,2]=4 1849 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,2,0,0,0,0|0,0,2]=4 1850 B13R1.15 O=C(CO)NCc1cccc(c1)Br 240690a_100000174977_100000210174 [0,2,0,0,0,0|1,0,1]=4 1851 B13R1.15 O=C(CO)NCc1cccc(c1)Br 527a_100000174977_100000210174 [0,2,0,0,0,0|1,0,1]=4 1852 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 240690a_100000174878_100000210174 [0,2,0,0,0,0|1,0,1]=4 1853 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 527a_100000174878_100000210174 [0,2,0,0,0,0|1,0,1]=4 1854 B13R1.15 O=C(CO)NCc1cccc(c1)F 240690a_100000174948_100000210174 [0,2,0,0,0,0|1,0,1]=4 1855 B13R1.15 O=C(CO)NCc1cccc(c1)F 527a_100000174948_100000210174 [0,2,0,0,0,0|1,0,1]=4 1856 B13R1.15 O=C(CO)NCc1cccc(c1)I 240690a_100000106179_100000210174 [0,2,0,0,0,0|1,0,1]=4 1857 B13R1.15 O=C(CO)NCc1cccc(c1)I 527a_100000106179_100000210174 [0,2,0,0,0,0|1,0,1]=4 1858 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [0,2,0,0,0,0|1,0,1]=4 1859 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [0,2,0,0,0,0|1,0,1]=4 1860 B13R1.15 O=C(CO)NNc1cccc(c1)Br 22a_100000217339_100000210174 [0,2,0,0,0,0|2,0,0]=4 1861 B13R1.15 O=C(CO)NNc1cccc(c1)Cl 22a_100000184277_100000210174 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.15 O=C(CO)NNc1cccc(c1)F 22a_100000745080_100000210174 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.15 O=C(CO)NNc1cccc(c1)I 22a_100020605690_100000210174 [0,2,0,0,0,0|2,0,0]=4 1864 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [0,2,0,0,0,0|1,0,0]=3 1865 B13R1.42 C#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000184674 [0,2,0,0,0,0|2,0,0]=4 1866 B13R1.42 C#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000184674 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.42 C#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000184674 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [0,2,0,0,0,0|1,0,0]=3 1869 B13R1.42 C=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210623 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.42 C=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210623 [0,2,0,0,0,0|2,0,0]=4 1871 B13R1.42 C=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210623 [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,2,0,0,0,0|1,0,1]=4 1873 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,2,0,0,0,0|1,0,1]=4 1874 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,2,0,0,0,0|1,0,1]=4 1875 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,2,0,0,0,0|1,0,1]=4 1876 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,2,0,0,0,0|1,0,0]=3 1877 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,2,0,0,0,0|1,0,0]=3 1881 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [0,2,0,0,0,0|2,0,0]=4 1882 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [0,2,0,0,0,0|2,0,0]=4 1884 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [0,2,0,0,0,0|2,0,0]=4 1885 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [0,2,0,0,0,0|2,0,0]=4 1886 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,2,0,0,0,0|0,0,0]=2 1887 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,2,0,0,0,0|1,0,0]=3 1888 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,2,0,0,0,0|1,0,0]=3 1889 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [0,2,0,0,0,0|2,0,0]=4 1890 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,2,0,0,0,0|1,0,0]=3 1891 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [0,2,0,0,0,0|2,0,0]=4 1892 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [0,2,0,0,0,0|2,0,0]=4 1893 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [0,2,0,0,0,0|2,0,0]=4 1894 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,2,0,0,0,0|1,0,1]=4 1897 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,2,0,0,0,0|1,0,1]=4 1898 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,2,0,0,0,0|1,0,1]=4 1899 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,2,0,0,0,0|1,0,1]=4 1900 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,2,0,0,0,0|1,0,1]=4 1901 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [0,2,0,0,0,0|1,0,0]=3 1902 B13R1.42 CNNC(=O)C=Cc1ccccn1 22a_100016993582_100000740811 [0,2,0,0,0,0|2,0,0]=4 1903 B13R1.42 CNNC(=O)C=Cc1cccnc1 22a_100016993582_100000735890 [0,2,0,0,0,0|2,0,0]=4 1904 B13R1.42 CNNC(=O)C=Cc1ccncc1 22a_100016993582_100000682801 [0,2,0,0,0,0|2,0,0]=4 1905 B13R1.42 COCC(=O)C=Cc1cncnc1 6a_100000749868_100000211753 [0,2,0,0,0,0|2,0,0]=4 1906 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,2,0,0,0,0|0,0,2]=4 1907 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,2,0,0,0,0|0,0,2]=4 1908 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1909 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1910 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1911 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,2,0,0,0,0|1,0,1]=4 1912 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1913 B13R1.42 COCC(=O)NNc1ccccc1 22a_100015195140_100000210968 [0,2,0,0,0,0|2,0,0]=4 1914 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,2,0,0,0,0|1,0,1]=4 1915 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [0,2,0,0,0,0|1,0,0]=3 1916 B13R1.42 N#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214920 [0,2,0,0,0,0|2,0,0]=4 1917 B13R1.42 N#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214920 [0,2,0,0,0,0|2,0,0]=4 1918 B13R1.42 N#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214920 [0,2,0,0,0,0|2,0,0]=4 1919 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,2,0,0,0,0|0,0,2]=4 1920 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,2,0,0,0,0|1,0,0]=3 1921 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,2,0,0,0,0|0,0,0]=2 1922 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [0,2,0,0,0,0|2,0,0]=4 1923 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [0,2,0,0,0,0|1,0,0]=3 1924 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [0,2,0,0,0,0|2,0,0]=4 1925 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [0,2,0,0,0,0|1,0,0]=3 1926 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [0,2,0,0,0,0|2,0,0]=4 1927 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [0,2,0,0,0,0|1,0,0]=3 1928 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,2,0,0,0,0|0,0,2]=4 1929 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,2,0,0,0,0|0,0,2]=4 1930 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,2,0,0,0,0|1,0,1]=4 1931 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,2,0,0,0,0|1,0,1]=4 1932 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,2,0,0,0,0|1,0,1]=4 1933 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,2,0,0,0,0|2,0,0]=4 1934 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,2,0,0,0,0|1,0,1]=4 1935 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,2,0,0,0,0|1,0,1]=4 1936 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,2,0,0,0,0|1,0,1]=4 1937 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,2,0,0,0,0|1,0,1]=4 1938 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,2,0,0,0,0|1,0,1]=4 1939 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,2,0,0,0,0|1,0,0]=3 1940 B13R1.135 C/C(=C\c1ccccn1)/C(=O)CF 1458a_100025712827_100015361967 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,2,0,0,0,0|1,0,1]=4 1943 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,2,0,0,0,0|1,0,1]=4 1944 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,2,0,0,0,0|0,0,2]=4 1945 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,2,0,0,0,0|1,0,0]=3 1946 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,2,0,0,0,0|1,0,0]=3 1947 B13R1.135 CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210202 [0,2,0,0,0,0|2,0,0]=4 1948 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,2,0,0,0,0|1,0,0]=3 1949 B13R1.135 CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210202 [0,2,0,0,0,0|2,0,0]=4 1950 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,2,0,0,0,0|2,0,0]=4 1951 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,2,0,0,0,0|1,0,1]=4 1952 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,2,0,0,0,0|1,0,1]=4 1953 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,2,0,0,0,0|1,0,0]=3 1954 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,2,0,0,0,0|1,0,0]=3 1955 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,2,0,0,0,0|1,0,0]=3 1956 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,2,0,0,0,0|1,0,0]=3 1957 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,2,0,0,0,0|1,0,0]=3 1958 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,2,0,0,0,0|1,0,0]=3 1959 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,2,0,0,0,0|1,0,0]=3 1960 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 11a_106832991635_100025712827 [0,2,0,0,0,0|2,0,0]=4 1961 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 1626a_100102657272_100025712827 [0,2,0,0,0,0|2,0,0]=4 1962 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 527a_100102657272_100025712827 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,2,0,0,0,0|1,0,0]=3 1964 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,2,0,0,0,0|1,0,0]=3 1965 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 11a_106832991635_100000731744 [0,2,0,0,0,0|2,0,0]=4 1966 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 240690a_100102657272_100000731744 [0,2,0,0,0,0|2,0,0]=4 1967 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 527a_100102657272_100000731744 [0,2,0,0,0,0|2,0,0]=4 1968 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,2,0,0,0,0|1,0,1]=4 1969 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,2,0,0,0,0|2,0,0]=4 1972 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,2,0,0,0,0|2,0,0]=4 1973 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,2,0,0,0,0|1,0,0]=3 1974 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,2,0,0,0,0|1,0,0]=3 1975 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,2,0,0,0,0|1,0,0]=3 1976 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,2,0,0,0,0|1,0,1]=4 1977 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,2,0,0,0,0|1,0,1]=4 1978 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,2,0,0,0,0|1,0,1]=4 1979 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,2,0,0,0,0|1,0,1]=4 1980 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,2,0,0,0,0|1,0,1]=4 1981 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,2,0,0,0,0|1,0,0]=3 1982 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,2,0,0,0,0|1,0,0]=3 1983 B13R1.135 O=C(CF)C(=Cc1cccnc1)F 1458a_100000731744_100015361967 [0,2,0,0,0,0|2,0,0]=4 1984 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,2,0,0,0,0|2,0,0]=4 1985 B13R1.254 CNS(=O)(=O)C=Cc1ccccc1 40a_100102657272_100011098038 [0,2,0,0,0,0|1,0,1]=4 1986 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [0,2,0,0,0,0|1,0,0]=3 1987 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [0,2,0,0,0,0|1,0,0]=3 1988 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [0,2,0,0,0,0|1,0,0]=3 1989 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,2,0,0,0,0|1,0,0]=3 1990 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,2,0,0,0,0|1,0,0]=3 1991 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,2,0,0,0,0|1,0,0]=3 1992 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,2,0,0,0,0|1,0,0]=3 1993 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,2,0,0,0,0|1,0,0]=3 1994 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,2,0,0,0,0|1,0,0]=3 1995 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,2,0,0,0,0|1,0,0]=3 1996 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,2,0,0,0,0|1,0,0]=3 1997 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,2,0,0,0,0|1,0,0]=3 1998 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,2,0,0,0,0|1,0,0]=3 1999 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,2,0,0,0,0|1,0,0]=3 2000 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,2,0,0,0,0|0,0,0]=2 2001 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,2,0,0,0,0|0,0,2]=4 2002 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,2,0,0,0,0|1,0,1]=4 2003 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,2,0,0,0,0|1,0,1]=4 2004 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,2,0,0,0,0|1,0,1]=4 2005 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,2,0,0,0,0|1,0,1]=4 2006 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,2,0,0,0,0|1,0,1]=4 2007 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,2,0,0,0,0|1,0,1]=4 2008 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,2,0,0,0,0|1,0,1]=4 2009 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,2,0,0,0,0|1,0,1]=4 2010 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,2,0,0,0,0|1,0,1]=4 2011 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,2,0,0,0,0|1,0,1]=4 2012 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,2,0,0,0,0|1,0,1]=4 2013 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,2,0,0,0,0|1,0,1]=4 2014 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,2,0,0,0,0|1,0,1]=4 2015 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,2,0,0,0,0|1,0,1]=4 2016 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,2,0,0,0,0|1,0,1]=4 2017 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,2,0,0,0,0|1,0,1]=4 2018 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,2,0,0,0,0|1,0,1]=4 2019 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,2,0,0,0,0|1,0,1]=4 2020 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,2,0,0,0,0|1,0,1]=4 2021 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [0,2,0,0,0,0|1,0,1]=4 2022 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [0,2,0,0,0,0|1,0,1]=4 2023 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [0,2,0,0,0,0|1,0,1]=4 2024 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [0,2,0,0,0,0|1,0,1]=4 2025 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,2,0,0,0,0|1,0,1]=4 2026 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,2,0,0,0,0|1,0,1]=4 2027 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [0,2,0,0,0,0|1,0,1]=4 2028 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [0,2,0,0,0,0|1,0,1]=4 2029 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,2,0,0,0,0|1,0,1]=4 2030 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,2,0,0,0,0|1,0,1]=4 2031 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,2,0,0,0,0|1,0,1]=4 2032 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,2,0,0,0,0|1,0,1]=4 2033 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,2,0,0,0,0|0,0,2]=4 2034 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,2,0,0,0,0|1,0,1]=4 2035 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,2,0,0,0,0|1,0,1]=4 2036 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,2,0,0,0,0|2,0,0]=4 2037 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [0,2,0,0,0,0|1,0,0]=3 2038 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [0,2,0,0,0,0|1,0,0]=3 2039 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [0,2,0,0,0,0|1,0,0]=3 2040 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,2,0,0,0,0|1,0,0]=3 2041 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,2,0,0,0,0|0,0,2]=4 2042 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,2,0,0,0,0|0,0,2]=4 2043 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,2,0,0,0,0|0,0,2]=4 2044 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,2,0,0,0,0|0,0,2]=4 2045 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,2,0,0,0,0|1,0,1]=4 2046 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,2,0,0,0,0|1,0,1]=4 2047 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,2,0,0,0,0|1,0,1]=4 2048 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,2,0,0,0,0|1,0,1]=4 2049 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,2,0,0,0,0|1,0,1]=4 2050 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,2,0,0,0,0|1,0,1]=4 2051 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,2,0,0,0,0|1,0,1]=4 2052 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,2,0,0,0,0|1,0,1]=4 2053 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,2,0,0,0,0|1,0,1]=4 2054 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,2,0,0,0,0|1,0,1]=4 2055 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,2,0,0,0,0|2,0,0]=4 2056 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,2,0,0,0,0|2,0,0]=4 2057 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,2,0,0,0,0|2,0,0]=4 2058 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,2,0,0,0,0|2,0,0]=4 2059 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,2,0,0,0,0|2,0,0]=4 2060 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,2,0,0,0,0|2,0,0]=4 2061 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,2,0,0,0,0|2,0,0]=4 2062 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011215815 [0,2,0,0,0,0|2,0,0]=4 2063 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215815 [0,2,0,0,0,0|2,0,0]=4 2064 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,2,0,0,0,0|2,0,0]=4 2065 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011215815 [0,2,0,0,0,0|2,0,0]=4 2066 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,2,0,0,0,0|2,0,0]=4 2067 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,2,0,0,0,0|2,0,0]=4 2068 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,2,0,0,0,0|2,0,0]=4 2069 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,2,0,0,0,0|2,0,0]=4 2070 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,2,0,0,0,0|1,0,1]=4 2071 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,2,0,0,0,0|1,0,1]=4 2072 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,2,0,0,0,0|1,0,1]=4 2073 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,2,0,0,0,0|1,0,1]=4 2074 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,2,0,0,0,0|1,0,1]=4 2075 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,2,0,0,0,0|2,0,0]=4 2076 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,2,0,0,0,0|2,0,0]=4 2077 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,2,0,0,0,0|1,0,1]=4 2078 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [0,2,0,0,0,0|0,0,2]=4 2079 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,2,0,0,0,0|1,0,0]=3 2080 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,2,0,0,0,0|1,0,0]=3 2081 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,2,0,0,0,0|2,0,0]=4 2082 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,2,0,0,0,0|2,0,0]=4 2083 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,2,0,0,0,0|2,0,0]=4 2084 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,2,0,0,0,0|2,0,0]=4 2085 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,2,0,0,0,0|2,0,0]=4 2086 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,2,0,0,0,0|2,0,0]=4 2087 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,2,0,0,0,0|2,0,0]=4 2088 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,2,0,0,0,0|2,0,0]=4 2089 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,2,0,0,0,0|1,0,0]=3 2090 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,2,0,0,0,0|1,0,0]=3 2091 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,2,0,0,0,0|1,0,1]=4 2092 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,2,0,0,0,0|1,0,1]=4 2093 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,2,0,0,0,0|1,0,1]=4 2094 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,2,0,0,0,0|1,0,1]=4 2095 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,2,0,0,0,0|1,0,1]=4 2096 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [0,2,0,0,0,0|1,0,1]=4 2097 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [0,2,0,0,0,0|1,0,1]=4 2098 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,2,0,0,0,0|1,0,1]=4 2099 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000189346_100020667443 [0,2,0,0,0,0|0,0,2]=4 2100 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000187820 [0,2,0,0,0,0|1,0,1]=4 2101 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000187820 [0,2,0,0,0,0|1,0,1]=4 2102 B13R1.147 NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000187820 [0,2,0,0,0,0|1,0,1]=4 2103 B13R1.147 NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000187820 [0,2,0,0,0,0|1,0,1]=4 2104 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [0,2,0,0,0,0|1,0,1]=4 2105 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Br 1458a_100000210664_100020667443 [0,2,0,0,0,0|0,0,2]=4 2106 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Cl 1458a_100000210390_100020667443 [0,2,0,0,0,0|0,0,2]=4 2107 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)F 1458a_100000210950_100020667443 [0,2,0,0,0,0|0,0,2]=4 2108 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)I 1458a_100000184098_100020667443 [0,2,0,0,0,0|0,0,2]=4 2109 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)O 1458a_100000183914_100020667443 [0,2,0,0,0,0|0,0,2]=4 2110 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [0,2,0,0,0,0|1,0,1]=4 2111 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [0,2,0,0,0,0|1,0,1]=4 2112 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,2,0,0,0,0|1,0,1]=4 2113 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,2,0,0,0,0|1,0,1]=4 2114 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,2,0,0,0,0|1,0,1]=4 2115 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,2,0,0,0,0|1,0,1]=4 2116 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,2,0,0,0,0|1,0,1]=4 2117 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,2,0,0,0,0|1,0,1]=4 2118 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,2,0,0,0,0|1,0,1]=4 2119 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,2,0,0,0,0|1,0,1]=4 2120 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,2,0,0,0,0|1,0,1]=4 2121 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [0,2,0,0,0,0|0,0,2]=4 2122 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,2,0,0,0,0|1,0,1]=4 2123 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,2,0,0,0,0|1,0,1]=4 2124 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,2,0,0,0,0|1,0,1]=4 2125 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,2,0,0,0,0|1,0,1]=4 2126 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,2,0,0,0,0|1,0,1]=4 2127 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,2,0,0,0,0|1,0,1]=4 2128 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,2,0,0,0,0|1,0,1]=4 2129 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,2,0,0,0,0|1,0,1]=4 2130 B13R1.201 O=C([O-])CC(=O)c1ccccc1Br 1458a_100000188424_100020667443 [0,2,0,0,0,0|0,0,2]=4 2131 B13R1.201 O=C([O-])CC(=O)c1ccccc1Cl 1458a_100000185844_100020667443 [0,2,0,0,0,0|0,0,2]=4 2132 B13R1.201 O=C([O-])CC(=O)c1ccccc1F 1458a_100000188656_100020667443 [0,2,0,0,0,0|0,0,2]=4 2133 B13R1.201 O=C([O-])CC(=O)c1ccccc1I 1458a_100000187884_100020667443 [0,2,0,0,0,0|0,0,2]=4 2134 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,2,0,0,0,0|0,0,2]=4 2135 B13R1.201 O=C([O-])CC(=O)c1ccccc1[O-] 1458a_100009911694_100020667443 [0,2,0,0,0,0|0,0,2]=4 2136 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,2,0,0,0,0|1,0,1]=4 2137 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,2,0,0,0,0|1,0,1]=4 2138 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,2,0,0,0,0|1,0,1]=4 2139 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,2,0,0,0,0|0,0,2]=4 2140 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,2,0,0,0,0|1,0,1]=4 2141 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,2,0,0,0,0|0,0,2]=4 2142 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [0,2,0,0,0,0|1,0,0]=3 2143 B13R1.90 CC(O)C=Cc1ccccc1C#N 271570a_200011019289_100000188569 [0,2,0,0,0,0|1,0,1]=4 2144 B13R1.90 CC(O)C=Cc1ccccc1C=O 271570a_200011019289_100000211189 [0,2,0,0,0,0|1,0,1]=4 2145 B13R1.90 CC(O)C=Cc1ccccc1CN 271570a_200011019289_100000689332 [0,2,0,0,0,0|1,0,1]=4 2146 B13R1.90 CC(O)C=Cc1ccccc1CO 271570a_200011019289_100000187465 [0,2,0,0,0,0|1,0,1]=4 2147 B13R1.90 CC(O)C=Cc1ccccc1NN 271570a_200011019289_100000241748 [0,2,0,0,0,0|1,0,1]=4 2148 B13R1.90 CCc1ccccc1C=CC(C)O 271570a_200011019289_100011215823 [0,2,0,0,0,0|1,0,1]=4 2149 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [0,2,0,0,0,0|1,0,1]=4 2150 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,2,0,0,0,0|1,0,0]=3 2151 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,2,0,0,0,0|1,0,0]=3 2152 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [0,2,0,0,0,0|1,0,1]=4 2153 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [0,2,0,0,0,0|2,0,0]=4 2154 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [0,2,0,0,0,0|2,0,0]=4 2155 B13R1.90 CSc1ccccc1C=CC(C)O 271570a_200011019289_100011217816 [0,2,0,0,0,0|1,0,1]=4 2156 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [0,2,0,0,0,0|1,0,0]=3 2157 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [0,2,0,0,0,0|1,0,0]=3 2158 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [0,2,0,0,0,0|1,0,0]=3 2159 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [0,2,0,0,0,0|1,0,0]=3 2160 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [0,2,0,0,0,0|1,0,0]=3 2161 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [0,2,0,0,0,0|1,0,0]=3 2162 B13R1.150 CC(O)C=Cc1cccc(c1Br)O 271570a_200011019289_100010187914 [0,2,0,0,0,0|1,0,1]=4 2163 B13R1.150 CC(O)C=Cc1cccc(c1Cl)Br 271570a_200011019289_100010142854 [0,2,0,0,0,0|1,0,1]=4 2164 B13R1.150 CC(O)C=Cc1cccc(c1Cl)Cl 271570a_200011019289_100011215384 [0,2,0,0,0,0|1,0,1]=4 2165 B13R1.150 CC(O)C=Cc1cccc(c1Cl)F 271570a_200011019289_200010234923 [0,2,0,0,0,0|1,0,1]=4 2166 B13R1.150 CC(O)C=Cc1cccc(c1Cl)O 271570a_200011019289_100000049636 [0,2,0,0,0,0|1,0,1]=4 2167 B13R1.150 CC(O)C=Cc1cccc(c1F)Br 271570a_200011019289_100000702267 [0,2,0,0,0,0|1,0,1]=4 2168 B13R1.150 CC(O)C=Cc1cccc(c1F)Cl 271570a_200011019289_100011217346 [0,2,0,0,0,0|1,0,1]=4 2169 B13R1.150 CC(O)C=Cc1cccc(c1F)F 271570a_200011019289_100000694657 [0,2,0,0,0,0|1,0,1]=4 2170 B13R1.150 CC(O)C=Cc1cccc(c1F)N 271570a_200011019289_100011935091 [0,2,0,0,0,0|1,0,1]=4 2171 B13R1.150 CC(O)C=Cc1cccc(c1F)O 271570a_200011019289_100009817021 [0,2,0,0,0,0|1,0,1]=4 2172 B13R1.150 CC(O)C=Cc1cccc(c1N)Br 271570a_200011019289_100010146558 [0,2,0,0,0,0|1,0,1]=4 2173 B13R1.150 CC(O)C=Cc1cccc(c1N)Cl 271570a_200011019289_100010190421 [0,2,0,0,0,0|1,0,1]=4 2174 B13R1.150 CC(O)C=Cc1cccc(c1N)F 271570a_200011019289_100000042321 [0,2,0,0,0,0|1,0,1]=4 2175 B13R1.150 CC(O)C=Cc1cccc(c1N)N 271570a_200011019289_100015191791 [0,2,0,0,0,0|1,0,1]=4 2176 B13R1.150 CC(O)C=Cc1cccc(c1N)O 271570a_200011019289_100011934926 [0,2,0,0,0,0|1,0,1]=4 2177 B13R1.150 CC(O)C=Cc1cccc(c1O)Br 271570a_200011019289_100010084509 [0,2,0,0,0,0|1,0,1]=4 2178 B13R1.150 CC(O)C=Cc1cccc(c1O)Cl 271570a_200011019289_100010202889 [0,2,0,0,0,0|1,0,1]=4 2179 B13R1.150 CC(O)C=Cc1cccc(c1O)F 271570a_200011019289_100009813666 [0,2,0,0,0,0|1,0,1]=4 2180 B13R1.150 CC(O)C=Cc1cccc(c1O)N 271570a_200011019289_100011934915 [0,2,0,0,0,0|1,0,1]=4 2181 B13R1.150 CC(O)C=Cc1cccc(c1O)O 271570a_200011019289_100009815950 [0,2,0,0,0,0|1,0,1]=4 2182 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [0,2,0,0,0,0|1,0,0]=3 2183 B13R1.150 Cc1c(cccc1C=CC(C)O)Br 271570a_200011019289_100012353703 [0,2,0,0,0,0|1,0,1]=4 2184 B13R1.150 Cc1c(cccc1C=CC(C)O)Cl 271570a_200011019289_100000726075 [0,2,0,0,0,0|1,0,1]=4 2185 B13R1.150 Cc1c(cccc1C=CC(C)O)F 271570a_200011019289_100011216893 [0,2,0,0,0,0|1,0,1]=4 2186 B13R1.150 Cc1c(cccc1C=CC(C)O)N 271570a_200011019289_100000761887 [0,2,0,0,0,0|1,0,1]=4 2187 B13R1.150 Cc1c(cccc1C=CC(C)O)O 271570a_200011019289_100012002258 [0,2,0,0,0,0|1,0,1]=4 2188 B13R1.150 Cc1cccc(c1C)C=CC(C)O 271570a_200011019289_100011214922 [0,2,0,0,0,0|1,0,1]=4 2189 B13R1.150 Cc1cccc(c1Cl)C=CC(C)O 271570a_200011019289_200012352035 [0,2,0,0,0,0|1,0,1]=4 2190 B13R1.150 Cc1cccc(c1F)C=CC(C)O 271570a_200011019289_100000717567 [0,2,0,0,0,0|1,0,1]=4 2191 B13R1.150 Cc1cccc(c1N)C=CC(C)O 271570a_200011019289_100011834072 [0,2,0,0,0,0|1,0,1]=4 2192 B13R1.150 Cc1cccc(c1O)C=CC(C)O 271570a_200011019289_100009817157 [0,2,0,0,0,0|1,0,1]=4 2193 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [0,2,0,0,0,0|1,0,0]=3 2194 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [0,2,0,0,0,0|1,0,0]=3 2195 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [0,2,0,0,0,0|1,0,0]=3 2196 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [0,2,0,0,0,0|1,0,0]=3 2197 B13R1.157 CC(C)(O)C=Cc1ccccc1Br 271570a_200016258132_100000695589 [0,2,0,0,0,0|1,0,1]=4 2198 B13R1.157 CC(C)(O)C=Cc1ccccc1Cl 271570a_200016258132_100000764095 [0,2,0,0,0,0|1,0,1]=4 2199 B13R1.157 CC(C)(O)C=Cc1ccccc1F 271570a_200016258132_100011215700 [0,2,0,0,0,0|1,0,1]=4 2200 B13R1.157 CC(C)(O)C=Cc1ccccc1N 271570a_200016258132_100000210017 [0,2,0,0,0,0|1,0,1]=4 2201 B13R1.157 CC(C)(O)C=Cc1ccccc1O 271570a_200016258132_100000739446 [0,2,0,0,0,0|1,0,1]=4 2202 B13R1.157 Cc1ccccc1C=CC(C)(C)O 271570a_200016258132_100000210755 [0,2,0,0,0,0|1,0,1]=4 2203 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [0,2,0,0,0,0|1,0,0]=3 2204 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [0,2,0,0,0,0|1,0,0]=3 2205 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [0,2,0,0,0,0|1,0,0]=3 2206 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [0,2,0,0,0,0|1,0,0]=3 2207 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [0,2,0,0,0,0|1,0,0]=3 2208 B13R1.893 CC(O)C=Cc1cc(ccc1Br)Br 271570a_200011019289_100011483371 [0,2,0,0,0,0|1,0,1]=4 2209 B13R1.893 CC(O)C=Cc1cc(ccc1Br)Cl 271570a_200011019289_100012339723 [0,2,0,0,0,0|1,0,1]=4 2210 B13R1.893 CC(O)C=Cc1cc(ccc1Br)F 271570a_200011019289_100011217576 [0,2,0,0,0,0|1,0,1]=4 2211 B13R1.893 CC(O)C=Cc1cc(ccc1Br)N 271570a_200011019289_100000750459 [0,2,0,0,0,0|1,0,1]=4 2212 B13R1.893 CC(O)C=Cc1cc(ccc1Br)O 271570a_200011019289_100012339312 [0,2,0,0,0,0|1,0,1]=4 2213 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)Br 271570a_200011019289_100011772130 [0,2,0,0,0,0|1,0,1]=4 2214 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)Cl 271570a_200011019289_100000707729 [0,2,0,0,0,0|1,0,1]=4 2215 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)F 271570a_200011019289_100011217299 [0,2,0,0,0,0|1,0,1]=4 2216 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)N 271570a_200011019289_100012360549 [0,2,0,0,0,0|1,0,1]=4 2217 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)O 271570a_200011019289_100000049588 [0,2,0,0,0,0|1,0,1]=4 2218 B13R1.893 CC(O)C=Cc1cc(ccc1F)Br 271570a_200011019289_100011217312 [0,2,0,0,0,0|1,0,1]=4 2219 B13R1.893 CC(O)C=Cc1cc(ccc1F)Cl 271570a_200011019289_100011218116 [0,2,0,0,0,0|1,0,1]=4 2220 B13R1.893 CC(O)C=Cc1cc(ccc1F)F 271570a_200011019289_100000750033 [0,2,0,0,0,0|1,0,1]=4 2221 B13R1.893 CC(O)C=Cc1cc(ccc1F)N 271570a_200011019289_100000760356 [0,2,0,0,0,0|1,0,1]=4 2222 B13R1.893 CC(O)C=Cc1cc(ccc1F)O 271570a_200011019289_100000693481 [0,2,0,0,0,0|1,0,1]=4 2223 B13R1.893 CC(O)C=Cc1cc(ccc1N)Br 271570a_200011019289_100000187925 [0,2,0,0,0,0|1,0,1]=4 2224 B13R1.893 CC(O)C=Cc1cc(ccc1N)Cl 271570a_200011019289_100000761889 [0,2,0,0,0,0|1,0,1]=4 2225 B13R1.893 CC(O)C=Cc1cc(ccc1N)F 271570a_200011019289_100000760547 [0,2,0,0,0,0|1,0,1]=4 2226 B13R1.893 CC(O)C=Cc1cc(ccc1N)N 271570a_200011019289_100011534242 [0,2,0,0,0,0|1,0,1]=4 2227 B13R1.893 CC(O)C=Cc1cc(ccc1N)O 271570a_200011019289_100012001276 [0,2,0,0,0,0|1,0,1]=4 2228 B13R1.893 CC(O)C=Cc1cc(ccc1O)Br 271570a_200011019289_100012355227 [0,2,0,0,0,0|1,0,1]=4 2229 B13R1.893 CC(O)C=Cc1cc(ccc1O)Cl 271570a_200011019289_100011356953 [0,2,0,0,0,0|1,0,1]=4 2230 B13R1.893 CC(O)C=Cc1cc(ccc1O)F 271570a_200011019289_100000211999 [0,2,0,0,0,0|1,0,1]=4 2231 B13R1.893 CC(O)C=Cc1cc(ccc1O)N 271570a_200011019289_100011534360 [0,2,0,0,0,0|1,0,1]=4 2232 B13R1.893 CC(O)C=Cc1cc(ccc1O)O 271570a_200011019289_100009813629 [0,2,0,0,0,0|1,0,1]=4 2233 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [0,2,0,0,0,0|1,0,0]=3 2234 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Br 271570a_200011019289_100012353751 [0,2,0,0,0,0|1,0,1]=4 2235 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100000210833 [0,2,0,0,0,0|1,0,1]=4 2236 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Cl 271570a_200011019289_100012356289 [0,2,0,0,0,0|1,0,1]=4 2237 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_100000736223 [0,2,0,0,0,0|1,0,1]=4 2238 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100000210942 [0,2,0,0,0,0|1,0,1]=4 2239 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000765521 [0,2,0,0,0,0|1,0,1]=4 2240 B13R1.893 Cc1ccc(cc1C=CC(C)O)Br 271570a_200011019289_100011344865 [0,2,0,0,0,0|1,0,1]=4 2241 B13R1.893 Cc1ccc(cc1C=CC(C)O)Cl 271570a_200011019289_100011263213 [0,2,0,0,0,0|1,0,1]=4 2242 B13R1.893 Cc1ccc(cc1C=CC(C)O)F 271570a_200011019289_100011218078 [0,2,0,0,0,0|1,0,1]=4 2243 B13R1.893 Cc1ccc(cc1C=CC(C)O)N 271570a_200011019289_100000736455 [0,2,0,0,0,0|1,0,1]=4 2244 B13R1.893 Cc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100011380479 [0,2,0,0,0,0|1,0,1]=4 2245 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [0,2,0,0,0,0|1,0,0]=3 2246 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [0,2,0,0,0,0|1,0,0]=3 2247 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [0,2,0,0,0,0|1,0,0]=3 2248 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [0,2,0,0,0,0|1,0,0]=3 2249 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200000210301 [0,2,0,0,0,0|1,0,0]=3 2250 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200000210301 [0,2,0,0,0,0|1,0,0]=3 2251 B13R1.3787 CC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200000210301 [0,2,0,0,0,0|1,0,0]=3 2252 B13R1.3787 CC(O)C=Cc1c(cccc1Br)Br 271570a_200011019289_100009994525 [0,2,0,0,0,0|1,0,1]=4 2253 B13R1.3787 CC(O)C=Cc1c(cccc1Br)Cl 271570a_200011019289_100010214488 [0,2,0,0,0,0|1,0,1]=4 2254 B13R1.3787 CC(O)C=Cc1c(cccc1Br)F 271570a_200011019289_100011219512 [0,2,0,0,0,0|1,0,1]=4 2255 B13R1.3787 CC(O)C=Cc1c(cccc1Br)N 271570a_200011019289_100020590159 [0,2,0,0,0,0|1,0,1]=4 2256 B13R1.3787 CC(O)C=Cc1c(cccc1Br)O 271570a_200011019289_100010187912 [0,2,0,0,0,0|1,0,1]=4 2257 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)Cl 271570a_200011019289_100000034237 [0,2,0,0,0,0|1,0,1]=4 2258 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)F 271570a_200011019289_100000050007 [0,2,0,0,0,0|1,0,1]=4 2259 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)N 271570a_200011019289_100000049713 [0,2,0,0,0,0|1,0,1]=4 2260 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)O 271570a_200011019289_100000050174 [0,2,0,0,0,0|1,0,1]=4 2261 B13R1.3787 CC(O)C=Cc1c(cccc1F)F 271570a_200011019289_100000693133 [0,2,0,0,0,0|1,0,1]=4 2262 B13R1.3787 CC(O)C=Cc1c(cccc1F)N 271570a_200011019289_100011934729 [0,2,0,0,0,0|1,0,1]=4 2263 B13R1.3787 CC(O)C=Cc1c(cccc1F)O 271570a_200011019289_100009820682 [0,2,0,0,0,0|1,0,1]=4 2264 B13R1.3787 CC(O)C=Cc1c(cccc1O)N 271570a_200011019289_100012183704 [0,2,0,0,0,0|1,0,1]=4 2265 B13R1.3787 CC(O)C=Cc1c(cccc1O)O 271570a_200011019289_100010205330 [0,2,0,0,0,0|1,0,1]=4 2266 B13R1.3787 Cc1cccc(c1C=CC(C)O)C 271570a_200011019289_100000033847 [0,2,0,0,0,0|1,0,1]=4 2267 B13R1.3787 Cc1cccc(c1C=CC(C)O)Cl 271570a_200011019289_100000043165 [0,2,0,0,0,0|1,0,1]=4 2268 B13R1.3787 Cc1cccc(c1C=CC(C)O)F 271570a_200011019289_100012349962 [0,2,0,0,0,0|1,0,1]=4 2269 B13R1.3787 Cc1cccc(c1C=CC(C)O)N 271570a_200011019289_100000684715 [0,2,0,0,0,0|1,0,1]=4 2270 B13R1.3787 Cc1cccc(c1C=CC(C)O)O 271570a_200011019289_100000686692 [0,2,0,0,0,0|1,0,1]=4 2271 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200025704644 [0,2,0,0,0,0|1,0,0]=3 2272 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200025704644 [0,2,0,0,0,0|1,0,0]=3 2273 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200025704644 [0,2,0,0,0,0|1,0,0]=3 2274 B13R1.643 C=Cc1cccc(c1)/C=C/C(=O)C 271570a_100011290941_200016266566 [0,2,0,0,0,0|1,0,0]=3 2275 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266566_200025704644 [0,2,0,0,0,0|1,0,0]=3 2276 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266566 [0,2,0,0,0,0|1,0,0]=3 2277 B13R1.643 CC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200000210301 [0,2,0,0,0,0|1,0,0]=3 2278 B13R1.643 CC(O)C=Cc1cccc(c1)C#N 271570a_200011019289_100000189340 [0,2,0,0,0,0|1,0,1]=4 2279 B13R1.643 CC(O)C=Cc1cccc(c1)C=O 271570a_200011019289_100000014684 [0,2,0,0,0,0|1,0,1]=4 2280 B13R1.643 CC(O)C=Cc1cccc(c1)CF 271570a_200011019289_100010878472 [0,2,0,0,0,0|1,0,1]=4 2281 B13R1.643 CC(O)C=Cc1cccc(c1)CN 271570a_200011019289_100000106179 [0,2,0,0,0,0|1,0,1]=4 2282 B13R1.643 CC(O)C=Cc1cccc(c1)CO 271570a_200011019289_100000687537 [0,2,0,0,0,0|1,0,1]=4 2283 B13R1.643 CC(O)C=Cc1cccc(c1)NN 271570a_200011019289_100000217339 [0,2,0,0,0,0|1,0,1]=4 2284 B13R1.643 CCc1cccc(c1)C=CC(C)O 271570a_200011019289_100000684523 [0,2,0,0,0,0|1,0,1]=4 2285 B13R1.643 CNc1cccc(c1)C=CC(C)O 271570a_200011019289_100000219648 [0,2,0,0,0,0|1,0,1]=4 2286 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [0,2,0,0,0,0|1,0,1]=4 2287 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200000210301_200016266566 [0,2,0,0,0,0|1,0,0]=3 2288 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_200000210301 [0,2,0,0,0,0|1,0,0]=3 2289 B13R1.643 CSc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215954 [0,2,0,0,0,0|1,0,1]=4 2290 B13R1.643 [13CH3]C(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_200025704644 [0,2,0,0,0,0|1,0,0]=3 2291 B13R1.838 CC(C)(O)C=Cc1cccc(c1)Br 271570a_200016258132_100000691529 [0,2,0,0,0,0|1,0,1]=4 2292 B13R1.838 CC(C)(O)C=Cc1cccc(c1)Cl 271570a_200016258132_100000699651 [0,2,0,0,0,0|1,0,1]=4 2293 B13R1.838 CC(C)(O)C=Cc1cccc(c1)F 271570a_200016258132_100000685547 [0,2,0,0,0,0|1,0,1]=4 2294 B13R1.838 CC(C)(O)C=Cc1cccc(c1)N 271570a_200016258132_100000210019 [0,2,0,0,0,0|1,0,1]=4 2295 B13R1.838 CC(C)(O)C=Cc1cccc(c1)O 271570a_200016258132_100000211634 [0,2,0,0,0,0|1,0,1]=4 2296 B13R1.838 CC(C)(O)C=Cc1cccc(c1)[S] 271570a_200016258132_114929384022 [0,2,0,0,0,0|1,0,1]=4 2297 B13R1.838 Cc1cccc(c1)C=CC(C)(C)O 271570a_200016258132_100011215228 [0,2,0,0,0,0|1,0,1]=4 2298 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_200000210301 [0,2,0,0,0,0|1,0,0]=3 2299 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200000210301 [0,2,0,0,0,0|1,0,0]=3 2300 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200000210301 [0,2,0,0,0,0|1,0,0]=3 2301 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_200000210301 [0,2,0,0,0,0|1,0,0]=3 2302 B13R1.3420 CC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200000210301 [0,2,0,0,0,0|1,0,0]=3 2303 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)Br 271570a_200011019289_100009814770 [0,2,0,0,0,0|1,0,1]=4 2304 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)Cl 271570a_200011019289_100009814755 [0,2,0,0,0,0|1,0,1]=4 2305 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)F 271570a_200011019289_100009814764 [0,2,0,0,0,0|1,0,1]=4 2306 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)N 271570a_200011019289_100009814763 [0,2,0,0,0,0|1,0,1]=4 2307 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Br)O 271570a_200011019289_100010068917 [0,2,0,0,0,0|1,0,1]=4 2308 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)Cl 271570a_200011019289_100000747138 [0,2,0,0,0,0|1,0,1]=4 2309 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)F 271570a_200011019289_100013859453 [0,2,0,0,0,0|1,0,1]=4 2310 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)N 271570a_200011019289_100010147676 [0,2,0,0,0,0|1,0,1]=4 2311 B13R1.3420 CC(O)C=Cc1cc(cc(c1)Cl)O 271570a_200011019289_100010068924 [0,2,0,0,0,0|1,0,1]=4 2312 B13R1.3420 CC(O)C=Cc1cc(cc(c1)F)F 271570a_200011019289_100011218498 [0,2,0,0,0,0|1,0,1]=4 2313 B13R1.3420 CC(O)C=Cc1cc(cc(c1)F)N 271570a_200011019289_100011356972 [0,2,0,0,0,0|1,0,1]=4 2314 B13R1.3420 CC(O)C=Cc1cc(cc(c1)F)O 271570a_200011019289_100000717995 [0,2,0,0,0,0|1,0,1]=4 2315 B13R1.3420 CC(O)C=Cc1cc(cc(c1)N)N 271570a_200011019289_100011999608 [0,2,0,0,0,0|1,0,1]=4 2316 B13R1.3420 CC(O)C=Cc1cc(cc(c1)O)O 271570a_200011019289_100009868816 [0,2,0,0,0,0|1,0,1]=4 2317 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])C 1458a_100016257640_200025704644 [0,2,0,0,0,0|1,0,0]=3 2318 B13R1.3420 Cc1cc(cc(c1)C=CC(=O)[13CH3])F 1458a_100102526130_200025704644 [0,2,0,0,0,0|1,0,0]=3 2319 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)C 271570a_200011019289_100011215608 [0,2,0,0,0,0|1,0,1]=4 2320 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)Cl 271570a_200011019289_100010172791 [0,2,0,0,0,0|1,0,1]=4 2321 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)F 271570a_200011019289_100011356977 [0,2,0,0,0,0|1,0,1]=4 2322 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)N 271570a_200011019289_100000695972 [0,2,0,0,0,0|1,0,1]=4 2323 B13R1.3420 Cc1cc(cc(c1)C=CC(C)O)O 271570a_200011019289_100011999630 [0,2,0,0,0,0|1,0,1]=4 2324 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_200025704644 [0,2,0,0,0,0|1,0,0]=3 2325 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_200025704644 [0,2,0,0,0,0|1,0,0]=3 2326 B13R1.3420 [13CH3]C(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_200025704644 [0,2,0,0,0,0|1,0,0]=3 2327 B11R1.53 C=Cc1ccccc1B(O)O 271570a_100011290941_100000693059 [0,0,1,1,0,0|1,0,1]=4 2328 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,0,1,1,0,0|1,0,0]=3 2329 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,0,1,1,0,0|1,0,0]=3 2330 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,0,1,1,0,0|1,0,0]=3 2331 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,0,1,1,0,0|1,0,0]=3 2332 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,0,1,1,0,0|1,0,1]=4 2333 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,0,1,1,0,0|2,0,0]=4 2334 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,0,1,1,0,0|2,0,0]=4 2335 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,0,1,1,0,0|2,0,0]=4 2336 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,0,1,1,0,0|2,0,0]=4 2337 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,0,1,1,0,0|2,0,0]=4 2338 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,0,1,1,0,0|2,0,0]=4 2339 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [0,0,1,1,0,0|2,0,0]=4 2340 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,0,1,1,0,0|2,0,0]=4 2341 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,0,1,1,0,0|2,0,0]=4 2342 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,0,1,1,0,0|1,0,1]=4 2343 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,0,1,1,0,0|1,0,1]=4 2344 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,0,1,1,0,0|1,0,1]=4 2345 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,0,1,1,0,0|1,0,1]=4 2346 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [0,0,1,1,0,0|2,0,0]=4 2347 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [0,0,1,1,0,0|2,0,0]=4 2348 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,0,1,1,0,0|2,0,0]=4 2349 B11R1.266 C=Cc1cc(ccn1)C(=O)N 271570a_100011290941_100000229836 [0,0,1,1,0,0|2,0,0]=4 2350 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [0,0,1,1,0,0|1,0,1]=4 2351 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,0,1,1,0,0|2,0,0]=4 2352 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,0,1,1,0,0|1,0,0]=3 2353 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,0,1,1,0,0|1,0,0]=3 2354 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,0,1,1,0,0|1,0,0]=3 2355 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,0,1,1,0,0|1,0,0]=3 2356 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,0,1,1,0,0|1,0,1]=4 2357 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,0,1,1,0,0|2,0,0]=4 2358 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,0,1,1,0,0|2,0,0]=4 2359 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,0,1,1,0,0|2,0,0]=4 2360 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,0,1,1,0,0|2,0,0]=4 2361 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,0,1,1,0,0|2,0,0]=4 2362 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,0,1,1,0,0|2,0,0]=4 2363 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,0,1,1,0,0|2,0,0]=4 2364 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,1,0,0|2,0,0]=4 2365 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,1,0,0|2,0,0]=4 2366 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,1,0,0|2,0,0]=4 2367 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,1,0,0|2,0,0]=4 2368 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,1,0,0|2,0,0]=4 2369 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,1,0,0|2,0,0]=4 2370 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,0]=3 2371 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,1,0,0|2,0,0]=4 2372 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|1,0,0]=3 2373 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,1,0,0|2,0,0]=4 2374 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,1,0,0|2,0,0]=4 2375 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,1,0,0|2,0,0]=4 2376 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,1,0,0|2,0,0]=4 2377 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,1,0,0|2,0,0]=4 2378 B11R2.1 Oc1ncn2c1cccc2 271570a_203496583355_100000688344 [1,0,0,1,0,0|2,0,0]=4 2379 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,1,0|1,0,0]=3 2380 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,1,0|0,0,1]=3 2381 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,1,0|0,1,0]=3 2382 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [0,0,0,1,1,0|2,0,0]=4 2383 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [0,0,0,1,1,0|2,0,0]=4 2384 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,1,0|2,0,0]=4 2385 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,1,0|1,1,0]=4 2386 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [0,0,0,1,1,0|2,0,0]=4 2387 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [0,0,0,1,1,0|2,0,0]=4 2388 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [0,0,0,1,1,0|1,0,1]=4 2389 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [0,0,0,1,1,0|1,0,1]=4 2390 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [0,0,0,1,1,0|2,0,0]=4 2391 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [0,0,0,1,1,0|2,0,0]=4 2392 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [0,0,0,1,1,0|2,0,0]=4 2393 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [0,0,0,1,1,0|2,0,0]=4 2394 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [0,0,0,1,1,0|2,0,0]=4 2395 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [0,0,0,1,1,0|2,0,0]=4 2396 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [0,0,0,1,1,0|2,0,0]=4 2397 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [0,0,0,1,1,0|2,0,0]=4 2398 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [0,0,0,1,1,0|2,0,0]=4 2399 B13R2.10 Brc1ccc(s1)c2ccccc2 271570a_100011218836_100010197418 [0,0,0,1,0,1|1,1,0]=4 2400 B13R2.10 Brc1csc(n1)c2ccccc2 271570a_100011218836_200016082925 [0,0,0,1,0,1|2,0,0]=4 2401 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 271570a_100011218836_100161115468 [0,0,0,1,0,1|2,0,0]=4 2402 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100000699828_100000210277 [0,0,0,1,0,1|2,0,0]=4 2403 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100011218836_100000759034 [0,0,0,1,0,1|2,0,0]=4 2404 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,0,0,1,0,1|1,0,0]=3 2405 B13R2.10 Cc1ccc(o1)c2ccccn2 271570a_100000061910_100011216584 [0,0,0,1,0,1|2,0,0]=4 2406 B13R2.10 Cc1ccc(o1)c2cccnc2 271570a_100000061910_100000752921 [0,0,0,1,0,1|2,0,0]=4 2407 B13R2.10 Cc1ccc(o1)c2ccncc2 271570a_100000061910_100000035832 [0,0,0,1,0,1|2,0,0]=4 2408 B13R2.10 Cc1ccc(s1)c2ccccc2 271570a_100011218836_100000761539 [0,0,0,1,0,1|1,1,0]=4 2409 B13R2.10 Cc1ccc(s1)c2ccccc2 271570a_100011934456_100000210277 [0,0,0,1,0,1|1,1,0]=4 2410 B13R2.10 Cc1cnc(s1)c2ccccc2 271570a_100011218836_100000690809 [0,0,0,1,0,1|1,1,0]=4 2411 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100000038307_100000210277 [0,0,0,1,0,1|2,0,0]=4 2412 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100011218836_100009876951 [0,0,0,1,0,1|2,0,0]=4 2413 B13R2.10 Cc1csc(n1)c2ccccc2 271570a_100011218836_100011291629 [0,0,0,1,0,1|2,0,0]=4 2414 B13R2.10 Cc1nc(c[nH]1)c2ccccc2 271570a_100011218836_100009814057 [0,0,0,1,0,1|2,0,0]=4 2415 B13R2.10 Cc1nc(cs1)c2ccccc2 271570a_100011218836_100011934587 [0,0,0,1,0,1|2,0,0]=4 2416 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100000696845_100000210277 [0,0,0,1,0,1|1,1,0]=4 2417 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100011218836_100000764884 [0,0,0,1,0,1|1,1,0]=4 2418 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,0,0,1,0,1|2,0,0]=4 2419 B13R2.10 Clc1ccc(s1)c2ccccc2 271570a_100000708867_100000210277 [0,0,0,1,0,1|1,1,0]=4 2420 B13R2.10 Nc1csc(n1)c2ccccc2 271570a_100011218836_200015188442 [0,0,0,1,0,1|2,0,0]=4 2421 B13R2.10 Nc1nc(cs1)c2ccccc2 271570a_100011218836_100011998049 [0,0,0,1,0,1|2,0,0]=4 2422 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,1|1,0,1]=4 2423 B13R2.10 Oc1c[nH]c(n1)c2ccccc2 271570a_203496583355_200010210587 [0,0,0,1,0,1|1,0,0]=3 2424 B13R2.10 Oc1cc(n[nH]1)c2ccccc2 271570a_203496583355_114929179799 [0,0,0,1,0,1|2,0,0]=4 2425 B13R2.10 Oc1ccc(s1)c2ccccc2 271570a_203496583355_100009814279 [0,0,0,1,0,1|0,1,0]=3 2426 B13R2.10 Oc1ccc(s1)c2ccccn2 271570a_203496583355_100009814253 [0,0,0,1,0,1|1,1,0]=4 2427 B13R2.10 Oc1ccc(s1)c2cccnc2 271570a_203496583355_100009816763 [0,0,0,1,0,1|1,1,0]=4 2428 B13R2.10 Oc1cnc(o1)c2ccccc2 271570a_203496583355_100009814072 [0,0,0,1,0,1|0,0,1]=3 2429 B13R2.10 Oc1cnc(s1)c2ccccc2 271570a_203496583355_100000726391 [0,0,0,1,0,1|0,1,0]=3 2430 B13R2.10 Oc1cnn(c1)c2ccccc2 271570a_203496583355_100011260827 [0,0,0,1,0,1|2,0,0]=4 2431 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,0,0,1,0,1|1,0,0]=3 2432 B13R2.10 Oc1n[nH]c(n1)c2ccccc2 271570a_203496583355_100010173362 [0,0,0,1,0,1|2,0,0]=4 2433 B13R2.10 Oc1nc(cs1)c2ccccc2 271570a_203496583355_100011830410 [0,0,0,1,0,1|1,0,0]=3 2434 B13R2.10 Oc1nc(cs1)c2ccccn2 271570a_203496583355_100012352321 [0,0,0,1,0,1|2,0,0]=4 2435 B13R2.10 Oc1nc(cs1)c2ccncc2 271570a_203496583355_200012352323 [0,0,0,1,0,1|2,0,0]=4 2436 B13R2.10 Oc1nc(no1)c2ccccc2 270196a_100000210280_100015183105 [0,0,0,1,0,1|2,0,0]=4 2437 B13R2.10 Oc1ncc(o1)c2ccccc2 271570a_203496583355_100000729704 [0,0,0,1,0,1|0,0,1]=3 2438 B13R2.10 Oc1ncc(s1)c2ccccc2 271570a_203496583355_100000685549 [0,0,0,1,0,1|0,1,0]=3 2439 B13R2.10 Oc1nnc(s1)c2ccccc2 271570a_203496583355_100000694505 [0,0,0,1,0,1|1,1,0]=4 2440 B13R2.10 Oc1noc(n1)c2ccccc2 271570a_203496583355_200000701163 [0,0,0,1,0,1|2,0,0]=4 2441 B13R2.72 C=C(C)c1coc2c1cccc2 271570a_100000694244_100009812202 [0,0,0,1,0,1|2,0,0]=4 2442 B13R2.72 C=C(C)c1csc2c1cccc2 271570a_100000694244_100009813928 [0,0,0,1,0,1|2,0,0]=4 2443 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,0,0,1,0,1|1,0,0]=3 2444 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,1,0,1|1,0,0]=3 2445 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,0,0,1,0,1|1,0,0]=3 2446 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,1,0,1|1,0,0]=3 2447 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [0,1,0,1,0,0|2,0,0]=4 2448 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [0,1,0,1,0,0|2,0,0]=4 2449 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [0,1,0,1,0,0|2,0,0]=4 2450 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [0,1,0,1,0,0|2,0,0]=4 2451 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [0,1,0,1,0,0|1,0,0]=3 2452 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [0,1,0,1,0,0|2,0,0]=4 2453 B13R2.155 Nc1ccc2ccc(nc2n1)O 271570a_203496583355_100000117679 [0,1,0,1,0,0|2,0,0]=4 2454 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [0,1,0,1,0,0|2,0,0]=4 2455 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,1,0,1,0,0|0,0,0]=2 2456 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [0,1,0,1,0,0|2,0,0]=4 2457 B13R2.155 Oc1cc2cc(ccc2cn1)F 271570a_203496583355_100009828686 [0,1,0,1,0,0|2,0,0]=4 2458 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [0,1,0,1,0,0|1,0,0]=3 2459 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [0,1,0,1,0,0|1,0,0]=3 2460 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [0,1,0,1,0,0|1,0,0]=3 2461 B13R2.155 Oc1ccc2ccc(nc2n1)O 271570a_203496583355_200010218124 [0,1,0,1,0,0|2,0,0]=4 2462 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [0,1,0,1,0,0|2,0,0]=4 2463 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [0,1,0,1,0,0|2,0,0]=4 2464 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [0,1,0,1,0,0|2,0,0]=4 2465 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [0,1,0,1,0,0|2,0,0]=4 2466 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [0,1,0,1,0,0|2,0,0]=4 2467 B13R2.155 Oc1ccc2ncc(cc2n1)F 271570a_203496583355_100009889179 [0,1,0,1,0,0|2,0,0]=4 2468 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [0,1,0,1,0,0|2,0,0]=4 2469 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [0,1,0,1,0,0|2,0,0]=4 2470 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [0,1,0,1,0,0|2,0,0]=4 2471 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [0,1,0,1,0,0|2,0,0]=4 2472 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [0,1,0,1,0,0|2,0,0]=4 2473 B13R2.155 Oc1ncc2ccc(cc2n1)F 271570a_203496583355_100000104070 [0,1,0,1,0,0|2,0,0]=4 2474 B13R2.155 [O-][n+]1ccc2ccc(cc2c1)O 271570a_203496583355_100009816120 [0,1,0,1,0,0|2,0,0]=4 2475 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,1,0,1,0,0|1,0,0]=3 2476 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [0,1,0,1,0,0|2,0,0]=4 2477 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [0,1,0,1,0,0|2,0,0]=4 2478 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,1,0,1,0,0|1,0,0]=3 2479 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [0,1,0,1,0,0|2,0,0]=4 2480 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [0,1,0,1,0,0|2,0,0]=4 2481 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,1,0,1,0,0|1,0,0]=3 2482 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [0,1,0,1,0,0|2,0,0]=4 2483 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [0,1,0,1,0,0|2,0,0]=4 2484 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [0,1,0,1,0,0|2,0,0]=4 2485 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [0,1,0,1,0,0|2,0,0]=4 2486 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,1,0,1,0,0|1,0,0]=3 2487 B13R2.32 Nc1ccc2cnccc2c1O 271570a_203496583355_100010245214 [0,1,0,1,0,0|2,0,0]=4 2488 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [0,1,0,1,0,0|2,0,0]=4 2489 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [0,1,0,1,0,0|2,0,0]=4 2490 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [0,1,0,1,0,0|2,0,0]=4 2491 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,1,0,1,0,0|1,0,0]=3 2492 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,1,0,1,0,0|1,0,0]=3 2493 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,1,0,1,0,0|1,0,0]=3 2494 B13R2.32 Oc1c(ccc2c1ccnc2)F 271570a_203496583355_100010272212 [0,1,0,1,0,0|2,0,0]=4 2495 B13R2.32 Oc1c(ccc2c1cncc2)F 271570a_203496583355_200015767032 [0,1,0,1,0,0|2,0,0]=4 2496 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [0,1,0,1,0,0|2,0,0]=4 2497 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,1,0,1,0,0|1,0,0]=3 2498 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,1,0,1,0,0|1,0,0]=3 2499 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,1,0,1,0,0|0,0,1]=3 2500 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,1,0,1,0,0|0,0,1]=3 2501 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [0,1,0,1,0,0|2,0,0]=4 2502 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [0,1,0,1,0,0|1,0,1]=4 2503 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [0,1,0,1,0,0|1,0,1]=4 2504 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [0,1,0,1,0,0|1,0,1]=4 2505 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [0,1,0,1,0,0|2,0,0]=4 2506 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,1,0,1,0,0|2,0,0]=4 2507 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [0,1,0,1,0,0|2,0,0]=4 2508 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [0,1,0,1,0,0|2,0,0]=4 2509 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [0,1,0,1,0,0|2,0,0]=4 2510 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [0,1,0,1,0,0|2,0,0]=4 2511 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,1,0,1,0,0|1,0,0]=3 2512 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,1,0,1,0,0|1,0,0]=3 2513 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [0,1,0,1,0,0|2,0,0]=4 2514 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [0,1,0,1,0,0|2,0,0]=4 2515 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [0,1,0,1,0,0|2,0,0]=4 2516 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [0,1,0,1,0,0|2,0,0]=4 2517 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [0,1,0,1,0,0|2,0,0]=4 2518 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [0,1,0,1,0,0|2,0,0]=4 2519 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,1,0,1,0,0|2,0,0]=4 2520 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,1,0,1,0,0|2,0,0]=4 2521 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [0,1,0,1,0,0|1,1,0]=4 2522 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [0,1,0,1,0,0|1,1,0]=4 2523 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [0,1,0,1,0,0|1,1,0]=4 2524 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [0,1,0,1,0,0|2,0,0]=4 2525 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [0,1,0,1,0,0|2,0,0]=4 2526 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,1,0,1,0,0|1,0,0]=3 2527 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,1,0,1,0,0|1,0,0]=3 2528 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [0,1,0,1,0,0|2,0,0]=4 2529 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [0,1,0,1,0,0|2,0,0]=4 2530 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [0,1,0,1,0,0|2,0,0]=4 2531 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [0,1,0,1,0,0|2,0,0]=4 2532 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [0,1,0,1,0,0|2,0,0]=4 2533 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [0,1,0,1,0,0|2,0,0]=4 2534 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,1,0,1,0,0|2,0,0]=4 2535 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,1,0,1,0,0|2,0,0]=4 2536 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [0,1,0,1,0,0|1,1,0]=4 2537 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [0,1,0,1,0,0|1,1,0]=4 2538 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [0,1,0,1,0,0|1,1,0]=4 2539 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,1,0,1,0,0|1,0,0]=3 2540 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [0,1,0,1,0,0|2,0,0]=4 2541 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [0,1,0,1,0,0|2,0,0]=4 2542 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,1,0,1,0,0|2,0,0]=4 2543 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,1,0,1,0,0|1,0,0]=3 2544 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,1,0,1,0,0|2,0,0]=4 2545 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,1,0,1,0,0|2,0,0]=4 2546 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,1,0,1,0,0|0,0,0]=2 2547 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,1,0,1,0,0|1,0,0]=3 2548 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,1,0,1,0,0|1,0,0]=3 2549 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,1,0,1,0,0|1,0,0]=3 2550 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,1,0,1,0,0|2,0,0]=4 2551 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,1,0,1,0,0|2,0,0]=4 2552 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,1,0,1,0,0|1,0,0]=3 2553 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,1,0,1,0,0|1,0,0]=3 2554 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [0,1,0,1,0,0|2,0,0]=4 2555 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [0,1,0,1,0,0|2,0,0]=4 2556 B13R2.369 Oc1cc2ccncc2cc1F 271570a_203496583355_100011105921 [0,1,0,1,0,0|2,0,0]=4 2557 B13R2.369 Oc1cc2cnccc2cc1F 271570a_203496583355_100010244713 [0,1,0,1,0,0|2,0,0]=4 2558 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,1,0,1,0,0|1,0,0]=3 2559 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,1,0,1,0,0|2,0,0]=4 2560 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,1,0,1,0,0|2,0,0]=4 2561 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,1,0,1,0,0|2,0,0]=4 2562 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,1,0,1,0,0|1,0,0]=3 2563 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,1,0,1,0,0|1,0,0]=3 2564 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,1,0,1,0,0|2,0,0]=4 2565 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [0,1,0,1,0,0|2,0,0]=4 2566 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,1,0,1,0,0|1,0,0]=3 2567 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,1,0,1,0,0|2,0,0]=4 2568 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,1,0,1,0,0|2,0,0]=4 2569 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,1,0,1,0,0|1,0,0]=3 2570 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [0,1,0,1,0,0|2,0,0]=4 2571 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [0,1,0,1,0,0|2,0,0]=4 2572 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,1,0,1,0,0|1,0,0]=3 2573 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,1,0,1,0,0|2,0,0]=4 2574 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,1,0,1,0,0|1,0,0]=3 2575 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,1,0,1,0,0|1,0,0]=3 2576 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,1,0,1,0,0|2,0,0]=4 2577 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,1,0,1,0,0|2,0,0]=4 2578 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,1,0,1,0,0|1,0,0]=3 2579 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,1,0,1,0,0|1,0,0]=3 2580 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [0,1,0,1,0,0|2,0,0]=4 2581 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [0,1,0,1,0,0|2,0,0]=4 2582 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [0,1,0,1,0,0|2,0,0]=4 2583 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [0,1,0,1,0,0|2,0,0]=4 2584 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [0,1,0,1,0,0|2,0,0]=4 2585 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [0,1,0,1,0,0|2,0,0]=4 2586 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [0,1,0,1,0,0|2,0,0]=4 2587 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [0,1,0,1,0,0|2,0,0]=4 2588 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [0,1,0,1,0,0|2,0,0]=4 2589 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [0,1,0,1,0,0|2,0,0]=4 2590 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [0,1,0,1,0,0|1,0,0]=3 2591 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [0,1,0,1,0,0|2,0,0]=4 2592 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [0,1,0,1,0,0|2,0,0]=4 2593 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [0,1,0,1,0,0|2,0,0]=4 2594 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,1,0,1,0,0|0,0,2]=4 2595 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [0,1,0,1,0,0|1,0,0]=3 2596 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,1,0,1,0,0|2,0,0]=4 2597 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [0,1,0,1,0,0|2,0,0]=4 2598 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [0,1,0,1,0,0|1,0,0]=3 2599 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [0,1,0,1,0,0|2,0,0]=4 2600 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [0,1,0,1,0,0|2,0,0]=4 2601 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [0,1,0,1,0,0|2,0,0]=4 2602 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [0,1,0,1,0,0|2,0,0]=4 2603 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [0,1,0,1,0,0|2,0,0]=4 2604 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [0,1,0,1,0,0|2,0,0]=4 2605 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [0,1,0,1,0,0|2,0,0]=4 2606 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [0,1,0,1,0,0|2,0,0]=4 2607 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [0,1,0,1,0,0|2,0,0]=4 2608 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [0,1,0,1,0,0|1,0,0]=3 2609 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [0,1,0,1,0,0|1,0,0]=3 2610 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [0,1,0,1,0,0|2,0,0]=4 2611 B13R2.162 Cc1nccc2c1cc(cc2)O 271570a_203496583355_200010739692 [0,1,0,1,0,0|2,0,0]=4 2612 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [0,1,0,1,0,0|2,0,0]=4 2613 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [0,1,0,1,0,0|1,0,0]=3 2614 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [0,1,0,1,0,0|2,0,0]=4 2615 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [0,1,0,1,0,0|2,0,0]=4 2616 B13R2.162 Nc1nccc2c1cc(cc2)O 271570a_203496583355_100012352255 [0,1,0,1,0,0|2,0,0]=4 2617 B13R2.162 O=c1cc[nH]c2c1cc(cc2)O 271570a_203496583355_100000746092 [0,1,0,1,0,0|2,0,0]=4 2618 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [0,1,0,1,0,0|1,0,0]=3 2619 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [0,1,0,1,0,0|2,0,0]=4 2620 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [0,1,0,1,0,0|1,0,0]=3 2621 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [0,1,0,1,0,0|1,0,0]=3 2622 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [0,1,0,1,0,0|1,0,0]=3 2623 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [0,1,0,1,0,0|1,0,0]=3 2624 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [0,1,0,1,0,0|2,0,0]=4 2625 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [0,1,0,1,0,0|2,0,0]=4 2626 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [0,1,0,1,0,0|2,0,0]=4 2627 B13R2.162 Oc1ccc2cncc(c2n1)O 271570a_203496583355_100009812673 [0,1,0,1,0,0|2,0,0]=4 2628 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [0,1,0,1,0,0|2,0,0]=4 2629 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [0,1,0,1,0,0|2,0,0]=4 2630 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [0,1,0,1,0,0|2,0,0]=4 2631 B13R2.162 Oc1ncc2cccc(c2n1)O 271570a_203496583355_100010674811 [0,1,0,1,0,0|2,0,0]=4 2632 B13R2.3683 C[n+]1ccc2cc(ccc2c1)O 271570a_203496583355_100015191232 [0,1,0,1,0,0|2,0,0]=4 2633 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [0,1,0,1,0,0|2,0,0]=4 2634 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [0,1,0,1,0,0|1,0,0]=3 2635 B13R2.3683 Cc1ccc2nc(ccc2n1)O 271570a_203496583355_200009884078 [0,1,0,1,0,0|2,0,0]=4 2636 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [0,1,0,1,0,0|2,0,0]=4 2637 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [0,1,0,1,0,0|2,0,0]=4 2638 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [0,1,0,1,0,0|1,0,0]=3 2639 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [0,1,0,1,0,0|2,0,0]=4 2640 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [0,1,0,1,0,0|2,0,0]=4 2641 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [0,1,0,1,0,0|2,0,0]=4 2642 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [0,1,0,1,0,0|2,0,0]=4 2643 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,1,0,1,0,0|0,0,2]=4 2644 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [0,1,0,1,0,0|1,0,0]=3 2645 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [0,1,0,1,0,0|0,0,0]=2 2646 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [0,1,0,1,0,0|2,0,0]=4 2647 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [0,1,0,1,0,0|1,0,0]=3 2648 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [0,1,0,1,0,0|1,0,0]=3 2649 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [0,1,0,1,0,0|1,0,0]=3 2650 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [0,1,0,1,0,0|1,0,0]=3 2651 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [0,1,0,1,0,0|2,0,0]=4 2652 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [0,1,0,1,0,0|2,0,0]=4 2653 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [0,1,0,1,0,0|2,0,0]=4 2654 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [0,1,0,1,0,0|1,0,0]=3 2655 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [0,1,0,1,0,0|2,0,0]=4 2656 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [0,1,0,1,0,0|2,0,0]=4 2657 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [0,1,0,1,0,0|2,0,0]=4 2658 B13R2.3683 Oc1cnc2cc(ccc2n1)F 271570a_203496583355_100000098432 [0,1,0,1,0,0|2,0,0]=4 2659 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [0,1,0,1,0,0|2,0,0]=4 2660 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,2,0|2,0,0]=4 2661 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,2,0|1,0,0]=3 2662 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,2,0|1,0,0]=3 2663 B13R1.337 CC(=CC=NNc1ccccc1)C 4a_100015195140_100011215525 [0,0,0,0,0,2|2,0,0]=4 2664 B13R1.337 CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200000210301 [0,0,0,0,0,2|1,0,0]=3 2665 B13R1.337 CC(=O)C=CCCc1ccccc1 1458a_100016484021_200000210301 [0,0,0,0,0,2|1,0,0]=3 2666 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [0,0,0,0,0,2|1,0,0]=3 2667 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [0,0,0,0,0,2|1,0,0]=3 2668 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [0,0,0,0,0,2|1,0,0]=3 2669 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [0,0,0,0,0,2|1,0,0]=3 2670 B13R1.337 CC(=O)NN=CCc1ccccc1 4a_100000189765_100000209964 [0,0,0,0,0,2|1,0,1]=4 2671 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [0,0,0,0,0,2|1,0,0]=3 2672 B13R1.337 CC(=O)OCC=Cc1ccccn1 271570a_200000047263_100011216584 [0,0,0,0,0,2|2,0,0]=4 2673 B13R1.337 CC(=O)OCC=Cc1cccnc1 271570a_200000047263_100000752921 [0,0,0,0,0,2|2,0,0]=4 2674 B13R1.337 CC(=O)OCC=Cc1ccncc1 271570a_200000047263_100000035832 [0,0,0,0,0,2|2,0,0]=4 2675 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,0,0,0,2|0,0,2]=4 2676 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,0,0,0,2|0,0,2]=4 2677 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,0,0,0,2|0,0,2]=4 2678 B13R1.337 OB(O)/C=C/CNc1ccccc1 34a_100000106764_100016262062 [0,0,0,0,0,2|1,0,1]=4 2679 B13R1.337 OB(O)/C=C/COc1ccccc1 34a_100000210340_100016262062 [0,0,0,0,0,2|1,0,1]=4 2680 B13R1.337 OB(O)/C=C/COc1ccccc1 7a_100000210340_100016262062 [0,0,0,0,0,2|1,0,1]=4 2681 B13R1.337 OB(O)/C=C/CSc1ccccc1 62a_100000719477_100016262062 [0,0,0,0,0,2|1,0,1]=4 2682 B13R1.337 OB(O)/C=C/CSc1ccccc1 62a_100016262062_100000041952 [0,0,0,0,0,2|1,0,1]=4 2683 B13R1.337 [13CH3]C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200025704644 [0,0,0,0,0,2|1,0,0]=3 2684 B13R1.337 [13CH3]C(=O)C=CCCc1ccccc1 1458a_100016484021_200025704644 [0,0,0,0,0,2|1,0,0]=3