0 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,0,0,0,0,0|1,0,2]=3 25 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,0,0,0,0,0|1,0,2]=3 26 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,0,0,0,0,0|1,0,2]=3 27 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,0,0,0,0,0|2,0,1]=3 33 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,0,0,0,0,0|2,0,1]=3 58 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,0,0,0,0,0|2,0,1]=3 59 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,0,0,0,0,0|2,0,1]=3 60 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,0,0,0,0,0|3,0,1]=4 63 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.21 CC(C)C=Cc1ccc(cc1)Br 271570a_100016257149_100000752885 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.21 CC(C)C=Cc1ccc(cc1)F 271570a_100016257149_100000211213 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.21 CC(C)C=Cc1ccc(cc1)N 271570a_100016257149_100000185761 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [0,0,0,0,0,0|2,0,1]=3 75 B12R1.21 CC(C)C=Cc1ccc(cn1)O 271570a_100016257149_100000685995 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.21 CC(O)C=Cc1cc[n+](cc1)[O-] 271570a_200011019289_100000039755 [0,0,0,0,0,0|2,0,2]=4 77 B12R1.21 CC(O)C=Cc1ccc(=O)[nH]c1 271570a_200011019289_100000212171 [0,0,0,0,0,0|2,0,2]=4 78 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [0,0,0,0,0,0|2,0,1]=3 79 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [0,0,0,0,0,0|2,0,1]=3 81 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [0,0,0,0,0,0|2,0,1]=3 82 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [0,0,0,0,0,0|1,0,1]=2 83 B12R1.21 CC(O)C=Cc1ccc(cn1)Br 271570a_200011019289_100000686858 [0,0,0,0,0,0|3,0,1]=4 84 B12R1.21 CC(O)C=Cc1ccc(cn1)Cl 271570a_200011019289_100011356976 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.21 CC(O)C=Cc1ccc(cn1)F 271570a_200011019289_100000744514 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.21 CC(O)C=Cc1ccc(cn1)N 271570a_200011019289_100000744251 [0,0,0,0,0,0|3,0,1]=4 87 B12R1.21 CC(O)C=Cc1ccc(cn1)O 271570a_200011019289_100000685995 [0,0,0,0,0,0|2,0,1]=3 88 B12R1.21 CC(O)C=Cc1ccc(nc1)Br 271570a_200011019289_100009814638 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.21 CC(O)C=Cc1ccc(nc1)Cl 271570a_200011019289_100000034144 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.21 CC(O)C=Cc1ccc(nc1)F 271570a_200011019289_100000748661 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.21 CC(O)C=Cc1ccc(nc1)N 271570a_200011019289_100000187370 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.21 CC(O)C=Cc1ncc(cn1)O 271570a_200011019289_100000730009 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,0,0,0,0,0|2,0,2]=4 94 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,0,0,0,0,0|2,0,2]=4 95 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,0,0,0,0,0|2,0,2]=4 96 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,0,0,0,0,0|2,0,0]=2 98 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [0,0,0,0,0,0|3,0,1]=4 99 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,0,0,0,0,0|2,0,1]=3 100 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,0,0,0,0,0|2,0,2]=4 101 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,0,0,0,0,0|3,0,1]=4 102 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,0,0,0,0,0|2,0,2]=4 103 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,0,0,0,0,0|3,0,1]=4 105 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,0,0,0,0,0|3,0,1]=4 106 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,0,0,0,0,0|2,0,2]=4 107 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,0,0,0,0,0|3,0,1]=4 110 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,0,0,0,0,0|2,0,2]=4 111 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,0,0,0,0,0|2,0,2]=4 112 B12R1.21 Cc1ccc(cn1)C=CC(C)O 271570a_200011019289_100000751577 [0,0,0,0,0,0|3,0,1]=4 113 B12R1.21 Cc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000754016 [0,0,0,0,0,0|3,0,1]=4 114 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,0,0,0,0,0|1,0,2]=3 115 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,0,0,0,0,0|3,0,1]=4 117 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,0,0,0,0,0|3,0,1]=4 118 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,0,0,0,0,0|3,0,1]=4 119 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,0,0,0,0,0|2,0,1]=3 122 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,0,0,0,0,0|3,0,1]=4 123 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,0,0,0,0,0|3,0,1]=4 131 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,0,0,0,0,0|3,0,1]=4 133 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,0,0,0,0,0|3,0,1]=4 134 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,0,0,0,0,0|3,0,1]=4 135 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,0,0,0,0,0|2,0,1]=3 139 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,0,0,0,0,0|2,0,1]=3 140 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,0,0,0,0,0|2,0,2]=4 143 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,0,0,0,0,0|2,0,2]=4 144 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,0,0,0,0,0|2,0,2]=4 145 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,0,0,0,0,0|2,0,2]=4 146 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,0,0,0,0,0|2,0,2]=4 147 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,0,0,0,0,0|2,0,2]=4 148 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,0,0,0,0,0|2,0,2]=4 149 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,0,0,0,0,0|1,0,2]=3 150 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,0,0,0,0,0|2,0,2]=4 151 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,0,0,0,0,0|2,0,2]=4 152 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,0,0,0,0,0|2,0,2]=4 153 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,0,0,0,0,0|2,0,2]=4 154 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,0,0,0,0,0|2,0,2]=4 155 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,0,0,0,0,0|2,0,2]=4 156 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,0,0,0,0,0|2,0,2]=4 157 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,0,0,0,0,0|2,0,2]=4 158 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,0,0,0,0,0|2,0,2]=4 159 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,0,0,0,0,0|2,0,2]=4 160 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,0,0,0,0,0|1,0,2]=3 161 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,0,0,0,0,0|2,0,2]=4 162 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,0,0,0,0,0|2,0,2]=4 163 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,0,0,0,0,0|2,0,2]=4 164 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,0,0,0,0,0|2,0,2]=4 165 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,0,0,0,0,0|2,0,2]=4 166 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,0,0,0,0,0|2,0,2]=4 167 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,0,0,0,0,0|2,0,0]=2 168 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,0,0,0,0,0|2,0,0]=2 169 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,0,0,0,0,0|2,0,0]=2 170 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,0,0,0,0,0|2,0,0]=2 171 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [0,0,0,0,0,0|3,0,0]=3 172 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [0,0,0,0,0,0|3,0,0]=3 173 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,0,0,0,0,0|2,0,2]=4 174 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,0,0,0,0,0|2,0,2]=4 175 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,0,0,0,0,0|2,0,2]=4 176 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,0,0,0,0,0|2,0,2]=4 177 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,0,0,0,0,0|1,0,2]=3 178 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,0,0,0,0,0|3,0,1]=4 179 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,0,0,0,0,0|3,0,1]=4 180 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,0,0,0,0,0|3,0,1]=4 181 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,0,0,0,0,0|3,0,1]=4 182 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,0,0,0,0,0|2,0,1]=3 183 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,0,0,0,0,0|3,0,1]=4 184 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,0,0,0,0,0|3,0,1]=4 185 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,0,0,0,0,0|3,0,1]=4 186 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,0,0,0,0,0|2,0,0]=3 190 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,0,0,0,0,0|2,0,1]=4 193 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,0,0,0,0,0|2,0,1]=4 194 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,0,0,0,0,0|0,0,2]=3 199 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,0,0,0,0,0|2,0,1]=4 200 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,0,0,0,0,0|2,0,1]=4 201 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,0,0,0,0,0|1,0,1]=3 206 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,0,0,0,0,0|2,0,1]=4 213 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,0,0,0,0,0|2,0,1]=4 216 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,0,0,0,0,0|2,0,1]=4 217 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,0,0,0,0,0|1,0,1]=3 220 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [1,0,0,0,0,0|2,0,1]=4 221 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [1,0,0,0,0,0|2,0,1]=4 222 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [1,0,0,0,0,0|0,0,3]=4 223 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,0,0,0,0,0|0,0,3]=4 224 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,0,0,0,0,0|1,0,2]=4 225 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,0,0,0,0,0|1,0,2]=4 226 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,0,0,0,0,0|1,0,2]=4 227 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,0|1,0,2]=4 228 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,0|1,0,0]=2 229 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,0,0,0,0|2,0,0]=3 231 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,0,0|2,0,0]=3 232 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,0|1,0,2]=4 233 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,0|1,0,2]=4 234 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,0|2,0,1]=4 236 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,0|2,0,1]=4 237 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,0,0,0,0|2,0,1]=4 242 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,0,0,0,0|1,0,1]=3 243 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [1,0,0,0,0,0|2,0,1]=4 246 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 249 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,0|1,0,2]=4 252 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,0|1,0,2]=4 253 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,0|1,0,2]=4 254 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,0|1,0,2]=4 255 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,0|1,0,2]=4 256 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,0|1,0,0]=2 257 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,0,0,0,0|2,0,0]=3 259 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,0,0|2,0,0]=3 260 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,0|1,0,2]=4 261 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,0|2,0,1]=4 262 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,0|2,0,1]=4 263 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [0,1,0,0,0,0|2,0,0]=3 264 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,1,0,0,0,0|1,0,0]=2 265 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [0,1,0,0,0,0|1,1,0]=3 266 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [0,1,0,0,0,0|1,1,0]=3 267 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [0,1,0,0,0,0|2,0,0]=3 268 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,1,0,0,0,0|1,0,2]=4 269 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,1,0,0,0,0|1,0,2]=4 270 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,1,0,0,0,0|2,0,1]=4 271 B13R1.3 CC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100015343762 [0,1,0,0,0,0|2,0,1]=4 272 B13R1.3 CC(=O)NCc1ccc(cc1)CO 527a_100015189231_100103153847 [0,1,0,0,0,0|2,0,1]=4 273 B13R1.3 CC(=O)NN=C1C=CC(=NO)C=C1 4a_100000189765_200000095120 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.3 CC(C)C=Cc1ccc(cc1)CO 271570a_100016257149_100000690907 [0,1,0,0,0,0|2,0,1]=4 275 B13R1.3 CC(O)C=Cc1ccc(cc1)C#N 271570a_200011019289_100000179745 [0,1,0,0,0,0|2,0,1]=4 276 B13R1.3 CC(O)C=Cc1ccc(cc1)C=O 271570a_200011019289_100000186029 [0,1,0,0,0,0|1,0,2]=4 277 B13R1.3 CC(O)C=Cc1ccc(cc1)CF 271570a_200011019289_100010268989 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.3 CC(O)C=Cc1ccc(cc1)CN 271570a_200011019289_100016989417 [0,1,0,0,0,0|2,0,1]=4 279 B13R1.3 CC(O)C=Cc1ccc(cc1)CO 271570a_200011019289_100000690907 [0,1,0,0,0,0|1,0,1]=3 280 B13R1.3 CC(O)C=Cc1ccc(cc1)NN 271570a_200011019289_100016988836 [0,1,0,0,0,0|2,0,1]=4 281 B13R1.3 CC(O)C=Cc1ccc(cn1)CO 271570a_200011019289_100009816760 [0,1,0,0,0,0|2,0,1]=4 282 B13R1.3 CC(O)C=Cc1ccc(nc1)CO 271570a_200011019289_100000754261 [0,1,0,0,0,0|2,0,1]=4 283 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,1,0,0,0,0|2,0,0]=3 284 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,1,0,0,0,0|2,0,0]=3 285 B13R1.3 CCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011215824 [0,1,0,0,0,0|2,0,1]=4 286 B13R1.3 CNc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000219623 [0,1,0,0,0,0|2,0,1]=4 287 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,1,0,0,0,0|1,0,0]=2 288 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,1,0,0,0,0|1,0,1]=3 289 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,1,0,0,0,0|1,0,2]=4 290 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,1,0,0,0,0|1,0,2]=4 291 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,1,0,0,0,0|1,0,0]=2 292 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,1,0,0,0,0|1,0,0]=2 293 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [0,1,0,0,0,0|2,0,1]=4 294 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,1,0,0,0,0|1,0,1]=3 295 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,1,0,0,0,0|1,0,2]=4 296 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,1,0,0,0,0|1,0,2]=4 297 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,1,0,0,0,0|1,0,2]=4 298 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,1,0,0,0,0|1,0,2]=4 299 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,1,0,0,0,0|1,0,2]=4 300 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,1,0,0,0,0|2,0,1]=4 301 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,1,0,0,0,0|2,0,1]=4 302 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,1,0,0,0,0|2,0,1]=4 303 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,1,0,0,0,0|2,0,1]=4 304 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,1,0,0,0,0|2,0,1]=4 305 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,1,0,0,0,0|1,0,2]=4 306 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,1,0,0,0,0|3,0,0]=4 307 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,1,0,0,0,0|2,0,1]=4 308 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,1,0,0,0,0|2,0,1]=4 309 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,1,0,0,0,0|2,0,1]=4 310 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,1,0,0,0,0|1,0,2]=4 311 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,1,0,0,0,0|2,0,1]=4 312 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,1,0,0,0,0|2,0,1]=4 313 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,1,0,0,0,0|1,0,2]=4 315 B13R1.3 COc1ccc(cn1)C=CC(C)O 271570a_200011019289_100000047065 [0,1,0,0,0,0|2,0,1]=4 316 B13R1.3 COc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000755202 [0,1,0,0,0,0|2,0,1]=4 317 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [0,1,0,0,0,0|1,1,0]=3 318 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [0,1,0,0,0,0|1,1,0]=3 319 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [0,1,0,0,0,0|1,1,0]=3 320 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [0,1,0,0,0,0|1,1,0]=3 321 B13R1.3 CSc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011263217 [0,1,0,0,0,0|1,1,1]=4 322 B13R1.3 NC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747473 [0,1,0,0,0,0|2,0,1]=4 323 B13R1.3 NC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000187820 [0,1,0,0,0,0|2,0,1]=4 324 B13R1.3 NC(=O)COc1ccc(cc1)CO 34a_100000211755_100000187820 [0,1,0,0,0,0|2,0,1]=4 325 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747473 [0,1,0,0,0,0|2,0,1]=4 326 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000747473_100000690907 [0,1,0,0,0,0|2,0,1]=4 327 B13R1.3 O=C([O-])CNc1ccc(cc1)CO 34a_100011215238_100020667443 [0,1,0,0,0,0|1,0,2]=4 328 B13R1.3 O=C([O-])COc1ccc(cc1)CO 34a_100000211755_100020667443 [0,1,0,0,0,0|1,0,2]=4 329 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100000690907_100020667443 [0,1,0,0,0,0|1,0,2]=4 330 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100020667443_100000690907 [0,1,0,0,0,0|1,0,2]=4 331 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,1,0,0,0,0|1,0,1]=3 334 B13R1.14 C#CC(=O)CCc1ccc(cc1)O 1458a_100000211873_100009816426 [0,1,0,0,0,0|1,0,2]=4 335 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [0,1,0,0,0,0|1,0,2]=4 336 B13R1.14 C=CC(=O)NCc1ccc(cc1)O 240690a_100000185549_200121576911 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [0,1,0,0,0,0|2,0,0]=3 338 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [0,1,0,0,0,0|2,0,0]=3 339 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [0,1,0,0,0,0|2,0,0]=3 340 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [0,1,0,0,0,0|2,0,0]=3 341 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [0,1,0,0,0,0|2,0,0]=3 342 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [0,1,0,0,0,0|2,0,0]=3 343 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [0,1,0,0,0,0|2,0,0]=3 344 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [0,1,0,0,0,0|2,0,0]=3 345 B13R1.14 CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211110 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210202 [0,1,0,0,0,0|3,0,0]=4 347 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211110 [0,1,0,0,0,0|3,0,0]=4 348 B13R1.14 CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210202 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,1,0,0,0,0|1,0,2]=4 350 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,1,0,0,0,0|1,0,2]=4 351 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,1,0,0,0,0|2,0,1]=4 352 B13R1.14 CCC(=O)CSc1ccc(cc1)O 62a_100000747405_100000185759 [0,1,0,0,0,0|2,0,1]=4 353 B13R1.14 CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210414 [0,1,0,0,0,0|2,0,1]=4 354 B13R1.14 CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210414 [0,1,0,0,0,0|2,0,1]=4 355 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [0,1,0,0,0,0|2,0,0]=3 356 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [0,1,0,0,0,0|2,0,0]=3 357 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [0,1,0,0,0,0|2,0,0]=3 358 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [0,1,0,0,0,0|2,0,0]=3 359 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [0,1,0,0,0,0|2,0,0]=3 360 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [0,1,0,0,0,0|2,0,0]=3 361 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [0,1,0,0,0,0|2,0,0]=3 362 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [0,1,0,0,0,0|2,0,0]=3 363 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [0,1,0,0,0,0|2,0,0]=3 364 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [0,1,0,0,0,0|2,0,0]=3 365 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [0,1,0,0,0,0|2,0,0]=3 366 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [0,1,0,0,0,0|2,0,0]=3 367 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [0,1,0,0,0,0|2,0,0]=3 368 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [0,1,0,0,0,0|2,0,0]=3 369 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [0,1,0,0,0,0|1,0,0]=2 370 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 11a_106832991635_100020630499 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 1626a_100102657272_100020630499 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 240690a_100102657272_100020630499 [0,1,0,0,0,0|3,0,0]=4 373 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 11a_106832991635_100020588214 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 1626a_100102657272_100020588214 [0,1,0,0,0,0|3,0,0]=4 375 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 240690a_100102657272_100020588214 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,1,0,0,0,0|1,0,2]=4 377 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,1,0,0,0,0|1,0,2]=4 378 B13R1.14 CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183359 [0,1,0,0,0,0|2,0,1]=4 379 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,1,0,0,0,0|2,0,1]=4 382 B13R1.14 CNC(=O)CSc1ccc(cc1)O 62a_100000183359_100000185759 [0,1,0,0,0,0|2,0,1]=4 383 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_106832991635 [0,1,0,0,0,0|2,0,1]=4 384 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100102657272_100000185549 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100102657272 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100102657272_100000185549 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.14 CNC(=O)NCc1ccc(cc1)O 512a_106832991638_100000185549 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,1,0,0,0,0|0,0,0]=1 389 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [0,1,0,0,0,0|0,0,2]=3 390 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,1,0,0,0,0|0,0,2]=3 391 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,1,0,0,0,0|2,0,1]=4 396 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [0,1,0,0,0,0|2,0,1]=4 397 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [0,1,0,0,0,0|1,0,1]=3 399 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,1,0,0,0,0|2,0,1]=4 400 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,1,0,0,0,0|2,0,1]=4 401 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,1,0,0,0,0|2,0,1]=4 404 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,1,0,0,0,0|2,0,1]=4 406 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,1,0,0,0,0|2,0,1]=4 407 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,1,0,0,0,0|2,0,1]=4 408 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,1,0,0,0,0|2,0,1]=4 409 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,1,0,0,0,0|1,0,1]=3 410 B13R1.14 COC(=O)COc1ccc(nc1)O 271570a_203496583355_100010870986 [0,1,0,0,0,0|2,0,1]=4 411 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,1,0,0,0,0|2,0,1]=4 412 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,1,0,0,0,0|2,0,1]=4 413 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [0,1,0,0,0,0|2,0,1]=4 414 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [0,1,0,0,0,0|2,0,1]=4 415 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,1,0,0,0,0|2,0,1]=4 416 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,1,0,0,0,0|2,0,1]=4 417 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [0,1,0,0,0,0|2,0,1]=4 418 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [0,1,0,0,0,0|2,0,1]=4 419 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [0,1,0,0,0,0|2,0,1]=4 420 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [0,1,0,0,0,0|2,0,1]=4 421 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [0,1,0,0,0,0|1,0,1]=3 422 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747449 [0,1,0,0,0,0|2,0,1]=4 423 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000747449_100000744096 [0,1,0,0,0,0|2,0,1]=4 424 B13R1.14 Cc1ccc(cc1)C=CC(=O)CF 1458a_100000716854_100015361967 [0,1,0,0,0,0|2,0,0]=3 425 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,1,0,0,0,0|1,0,2]=4 426 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [0,1,0,0,0,0|2,0,1]=4 427 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [0,1,0,0,0,0|2,0,1]=4 428 B13R1.14 Cc1ccc(cc1)NNC(=O)CO 22a_100000683527_100000210174 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.14 NNC(=O)COc1ccc(cc1)O 271570a_203496583355_100000182278 [0,1,0,0,0,0|2,0,1]=4 430 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CBr 6a_100000186029_100009888967 [0,1,0,0,0,0|2,0,0]=3 431 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000086384 [0,1,0,0,0,0|2,0,0]=3 432 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 1458a_100016267368_100015361967 [0,1,0,0,0,0|2,0,0]=3 433 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 6a_100000186029_100000764096 [0,1,0,0,0,0|2,0,0]=3 434 B13R1.14 O=C(C=Cc1ccc(cc1)Cl)CF 1458a_100000184863_100015361967 [0,1,0,0,0,0|2,0,0]=3 435 B13R1.14 O=C(C=Cc1ccc(cc1)F)CBr 6a_100000210084_100009888967 [0,1,0,0,0,0|2,0,0]=3 436 B13R1.14 O=C(C=Cc1ccc(cc1)F)CCl 6a_100000210084_100000086384 [0,1,0,0,0,0|2,0,0]=3 437 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 1458a_100000182136_100015361967 [0,1,0,0,0,0|2,0,0]=3 438 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 6a_100000210084_100000764096 [0,1,0,0,0,0|2,0,0]=3 439 B13R1.14 O=C(C=Cc1ccc(cc1)I)CBr 6a_100000188517_100009888967 [0,1,0,0,0,0|2,0,0]=3 440 B13R1.14 O=C(C=Cc1ccc(cc1)I)CCl 6a_100000188517_100000086384 [0,1,0,0,0,0|2,0,0]=3 441 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 1458a_100102526154_100015361967 [0,1,0,0,0,0|2,0,0]=3 442 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 6a_100000188517_100000764096 [0,1,0,0,0,0|2,0,0]=3 443 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CBr 6a_100000754260_100009888967 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CCl 6a_100000754260_100000086384 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CF 6a_100000754260_100000764096 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.14 O=C(C=Cc1ccc(cn1)F)CBr 6a_100011934744_100009888967 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.14 O=C(C=Cc1ccc(cn1)F)CCl 6a_100011934744_100000086384 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 1458a_100020630499_100015361967 [0,1,0,0,0,0|3,0,0]=4 449 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 6a_100011934744_100000764096 [0,1,0,0,0,0|3,0,0]=4 450 B13R1.14 O=C(C=Cc1ccc(nc1)Br)CF 1458a_100020588214_100015361967 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.14 O=C(CF)CCc1ccc(cc1)O 1458a_100000742835_100015361967 [0,1,0,0,0,0|1,0,2]=4 452 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,1,0,0,0,0|1,0,2]=4 454 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,1,0,0,0,0|1,0,2]=4 455 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,1,0,0,0,0|1,0,2]=4 456 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,1,0,0,0,0|0,0,2]=3 457 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [0,1,0,0,0,0|2,0,1]=4 458 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,1,0,0,0,0|2,0,1]=4 460 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,1,0,0,0,0|2,0,1]=4 461 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [0,1,0,0,0,0|2,0,1]=4 462 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [0,1,0,0,0,0|2,0,1]=4 463 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [0,1,0,0,0,0|2,0,1]=4 464 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [0,1,0,0,0,0|2,0,1]=4 465 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [0,1,0,0,0,0|1,0,1]=3 466 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [0,1,0,0,0,0|1,0,1]=3 467 B13R1.14 O=C(CO)NCc1ccc(cn1)O 240690a_100020605196_100000210174 [0,1,0,0,0,0|2,0,1]=4 468 B13R1.14 O=C(CO)NCc1ccc(nc1)O 240690a_100000757128_100000210174 [0,1,0,0,0,0|2,0,1]=4 469 B13R1.14 O=C(CO)NNc1ccc(cc1)Br 22a_100000735608_100000210174 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.14 O=C(CO)NNc1ccc(cc1)Cl 22a_100000683521_100000210174 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.14 O=C(CO)NNc1ccc(cc1)F 22a_100000728448_100000210174 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.14 O=C(CO)NNc1ccc(cc1)I 22a_100016988836_100000210174 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,1,0,0,0,0|2,0,1]=4 474 B13R1.132 C=C(F)CC(=O)c1ccc(cc1)O 1458a_100000212099_100009893438 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,1,0,0,0,0|2,0,1]=4 478 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,1,0,0,0,0|2,0,1]=4 479 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,1,0,0,0,0|2,0,1]=4 480 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,1,0,0,0,0|1,0,1]=3 481 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,1,0,0,0,0|1,0,1]=3 482 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,1,0,0,0,0|2,0,1]=4 483 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,1,0,0,0,0|2,0,1]=4 484 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [0,1,0,0,0,0|1,0,2]=4 485 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [0,1,0,0,0,0|2,0,1]=4 486 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [0,1,0,0,0,0|2,0,1]=4 487 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,1,0,0,0,0|2,0,1]=4 488 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,1,0,0,0,0|2,0,1]=4 489 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,1,0,0,0,0|2,0,1]=4 490 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,1,0,0,0,0|2,0,1]=4 491 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [0,1,0,0,0,0|1,0,2]=4 492 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [0,1,0,0,0,0|1,0,2]=4 493 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,1,0,0,0,0|2,0,1]=4 494 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,1,0,0,0,0|1,0,2]=4 495 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,1,0,0,0,0|2,0,1]=4 496 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,1,0,0,0,0|2,0,1]=4 497 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,1,0,0,0,0|1,0,1]=3 500 B13R1.132 O=C(C[N+](=O)[O-])c1ccc(cc1)O 1458a_100000212099_100000761209 [0,1,0,0,0,0|1,0,2]=4 501 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Br 1458a_100000185839_100020667443 [0,1,0,0,0,0|1,0,2]=4 502 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [0,1,0,0,0,0|1,0,2]=4 503 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)F 1458a_100000187176_100020667443 [0,1,0,0,0,0|1,0,2]=4 504 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [0,1,0,0,0,0|1,0,2]=4 505 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,1,0,0,0,0|0,0,2]=3 506 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,1,0,0,0,0|2,0,1]=4 507 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,1,0,0,0,0|2,0,1]=4 508 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,1,0,0,0,0|2,0,1]=4 510 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,1,0,0,0,0|2,0,0]=3 511 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,1,0,0,0,0|2,0,0]=3 515 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,0|1,0,2]=4 518 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,1,0,0,0,0|2,0,1]=4 519 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,1,0,0,0,0|2,0,1]=4 520 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,1,0,0,0,0|2,0,1]=4 521 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,0|2,0,1]=4 522 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,1,0,0,0,0|2,0,1]=4 523 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,1,0,0,0,0|2,0,1]=4 524 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000717761 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,1,0,0,0,0|2,0,1]=4 526 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_217856618621 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,1,0,0,0,0|2,0,0]=3 534 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,1,0,0,0,0|2,0,1]=4 536 B13R1.133 O=C(Nc1ccc(cc1)O)C(O)O 22a_100000185829_100000233687 [0,1,0,0,0,0|1,0,2]=4 537 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,1,0,0,0,0|1,0,2]=4 538 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,1,0,0,0,0|1,0,2]=4 539 B13R1.133 Oc1ccc(cc1)OC(=C(F)F)F 271570a_203496583355_100009828397 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,0|1,0,2]=4 541 B13R1.164 CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000210301 [0,1,0,0,0,0|2,0,0]=3 543 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000210301 [0,1,0,0,0,0|2,0,0]=3 544 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000210301 [0,1,0,0,0,0|2,0,0]=3 545 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000210301 [0,1,0,0,0,0|2,0,0]=3 546 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000210301 [0,1,0,0,0,0|2,0,0]=3 547 B13R1.164 CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000210301 [0,1,0,0,0,0|2,0,0]=3 548 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,1,0,0,0,0|1,0,2]=4 549 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 240690a_200161156549_100015343762 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.164 CC(=O)NCc1ccc(cc1Cl)O 527a_200161156549_100103153847 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.164 CC(C)C=Cc1ccc(cc1Br)O 271570a_100016257149_100000701344 [0,1,0,0,0,0|2,0,1]=4 552 B13R1.164 CC(C)C=Cc1ccc(cc1Cl)O 271570a_100016257149_100000047559 [0,1,0,0,0,0|2,0,1]=4 553 B13R1.164 CC(C)C=Cc1ccc(cc1F)O 271570a_100016257149_100000755031 [0,1,0,0,0,0|2,0,1]=4 554 B13R1.164 CC(C)C=Cc1ccc(cc1N)O 271570a_100016257149_100011999798 [0,1,0,0,0,0|2,0,1]=4 555 B13R1.164 CC(C)C=Cc1ccc(cc1O)O 271570a_100016257149_100009813921 [0,1,0,0,0,0|2,0,1]=4 556 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Br 271570a_200011019289_100011484698 [0,1,0,0,0,0|2,0,1]=4 557 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Cl 271570a_200011019289_100011219703 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.164 CC(O)C=Cc1ccc(cc1Br)F 271570a_200011019289_100011217111 [0,1,0,0,0,0|2,0,1]=4 559 B13R1.164 CC(O)C=Cc1ccc(cc1Br)N 271570a_200011019289_100000750458 [0,1,0,0,0,0|2,0,1]=4 560 B13R1.164 CC(O)C=Cc1ccc(cc1Br)O 271570a_200011019289_100000701344 [0,1,0,0,0,0|1,0,1]=3 561 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Br 271570a_200011019289_100011216062 [0,1,0,0,0,0|2,0,1]=4 562 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Cl 271570a_200011019289_100000699841 [0,1,0,0,0,0|2,0,1]=4 563 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)F 271570a_200011019289_100000733362 [0,1,0,0,0,0|2,0,1]=4 564 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)N 271570a_200011019289_100000761885 [0,1,0,0,0,0|2,0,1]=4 565 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)O 271570a_200011019289_100000047559 [0,1,0,0,0,0|1,0,1]=3 566 B13R1.164 CC(O)C=Cc1ccc(cc1F)Br 271570a_200011019289_100009814013 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.164 CC(O)C=Cc1ccc(cc1F)Cl 271570a_200011019289_100011216042 [0,1,0,0,0,0|2,0,1]=4 568 B13R1.164 CC(O)C=Cc1ccc(cc1F)F 271570a_200011019289_100000750030 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.164 CC(O)C=Cc1ccc(cc1F)N 271570a_200011019289_100011356925 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.164 CC(O)C=Cc1ccc(cc1F)O 271570a_200011019289_100000755031 [0,1,0,0,0,0|1,0,1]=3 571 B13R1.164 CC(O)C=Cc1ccc(cc1N)Br 271570a_200011019289_100000743836 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [0,1,0,0,0,0|2,0,1]=4 573 B13R1.164 CC(O)C=Cc1ccc(cc1N)F 271570a_200011019289_100011218093 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.164 CC(O)C=Cc1ccc(cc1N)N 271570a_200011019289_200012175722 [0,1,0,0,0,0|2,0,1]=4 575 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [0,1,0,0,0,0|1,0,1]=3 576 B13R1.164 CC(O)C=Cc1ccc(cc1O)Br 271570a_200011019289_100012344904 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [0,1,0,0,0,0|2,0,1]=4 578 B13R1.164 CC(O)C=Cc1ccc(cc1O)F 271570a_200011019289_100000690578 [0,1,0,0,0,0|2,0,1]=4 579 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [0,1,0,0,0,0|1,0,1]=3 580 B13R1.164 CC(O)C=Cc1ccc(nc1F)O 271570a_200011019289_100009879308 [0,1,0,0,0,0|2,0,1]=4 581 B13R1.164 CC(O)C=Cc1ncc(cc1F)O 271570a_200011019289_100000063512 [0,1,0,0,0,0|2,0,1]=4 582 B13R1.164 Cc1cc(ccc1C=CC(C)C)O 271570a_100016257149_100000729255 [0,1,0,0,0,0|2,0,1]=4 583 B13R1.164 Cc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100000701812 [0,1,0,0,0,0|2,0,1]=4 584 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [0,1,0,0,0,0|2,0,1]=4 585 B13R1.164 Cc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100011205405 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.164 Cc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000210723 [0,1,0,0,0,0|2,0,1]=4 587 B13R1.164 Cc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100000729255 [0,1,0,0,0,0|1,0,1]=3 588 B13R1.164 Cc1cc(ccc1NCC(=O)N)O 34a_100000756630_100000187820 [0,1,0,0,0,0|2,0,1]=4 589 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])O 34a_100000756630_100020667443 [0,1,0,0,0,0|1,0,2]=4 590 B13R1.164 Cc1cc(ccc1SCC(=O)N)O 62a_100000747473_100000690111 [0,1,0,0,0,0|2,0,1]=4 591 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100000690111 [0,1,0,0,0,0|1,0,2]=4 592 B13R1.164 Cc1cc(cnc1C=CC(C)O)O 271570a_200011019289_100012000486 [0,1,0,0,0,0|2,0,1]=4 593 B13R1.164 Cc1cc(ncc1C=CC(C)O)O 271570a_200011019289_100010114363 [0,1,0,0,0,0|2,0,1]=4 594 B13R1.164 Cc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100009813563 [0,1,0,0,0,0|2,0,1]=4 595 B13R1.164 Cc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100011217332 [0,1,0,0,0,0|2,0,1]=4 596 B13R1.164 Cc1ccc(c(c1)Cl)C=CC(C)O 271570a_200011019289_100011263221 [0,1,0,0,0,0|2,0,1]=4 597 B13R1.164 Cc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100011216119 [0,1,0,0,0,0|2,0,1]=4 598 B13R1.164 Cc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100011216686 [0,1,0,0,0,0|2,0,1]=4 599 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100012002257 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.164 Cc1nc(ccc1C=CC(C)O)O 271570a_200011019289_100000691680 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.164 NC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000187820 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.164 NC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000187820 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.164 NC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000187820 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.164 NC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000187820 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.164 NC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000187820 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000747473 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000747473_100000701344 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000747473 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000747473_100000047559 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000747473_100000755031 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000747473 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100000747473_100011999798 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000747473 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.164 NC(=O)CSc1ccc(cc1O)O 62a_100000747473_100009813921 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100011999798_100020667443 [0,1,0,0,0,0|1,0,2]=4 616 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100011999798 [0,1,0,0,0,0|1,0,2]=4 617 B13R1.164 O=C([O-])CNc1ccc(cc1Br)O 34a_100012001276_100020667443 [0,1,0,0,0,0|1,0,2]=4 618 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)O 34a_100011215599_100020667443 [0,1,0,0,0,0|1,0,2]=4 619 B13R1.164 O=C([O-])CNc1ccc(cc1F)O 34a_100000759473_100020667443 [0,1,0,0,0,0|1,0,2]=4 620 B13R1.164 O=C([O-])CNc1ccc(cc1I)O 34a_100010084370_100020667443 [0,1,0,0,0,0|1,0,2]=4 621 B13R1.164 O=C([O-])CNc1ccc(cc1O)O 34a_100000106777_100020667443 [0,1,0,0,0,0|1,0,2]=4 622 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100000701344_100020667443 [0,1,0,0,0,0|1,0,2]=4 623 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100020667443_100000701344 [0,1,0,0,0,0|1,0,2]=4 624 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100000047559_100020667443 [0,1,0,0,0,0|1,0,2]=4 625 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100020667443_100000047559 [0,1,0,0,0,0|1,0,2]=4 626 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100000755031_100020667443 [0,1,0,0,0,0|1,0,2]=4 627 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100020667443_100000755031 [0,1,0,0,0,0|1,0,2]=4 628 B13R1.164 O=C([O-])CSc1ccc(cc1O)O 62a_100020667443_100009813921 [0,1,0,0,0,0|1,0,2]=4 629 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200025704644 [0,1,0,0,0,0|2,0,0]=3 630 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200025704644 [0,1,0,0,0,0|2,0,0]=3 631 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200025704644 [0,1,0,0,0,0|2,0,0]=3 632 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200025704644 [0,1,0,0,0,0|2,0,0]=3 633 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200025704644 [0,1,0,0,0,0|2,0,0]=3 634 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200025704644 [0,1,0,0,0,0|2,0,0]=3 635 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200025704644 [0,1,0,0,0,0|2,0,0]=3 636 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,1,0,0,0,0|1,0,2]=4 637 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200000210301 [0,1,0,0,0,0|2,0,0]=3 638 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200000210301 [0,1,0,0,0,0|2,0,0]=3 639 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,1,0,0,0,0|1,0,0]=2 640 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_200000210301 [0,1,0,0,0,0|2,0,0]=3 641 B13R1.511 CC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_200000210301 [0,1,0,0,0,0|2,0,0]=3 642 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200000210301 [0,1,0,0,0,0|2,0,0]=3 643 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200000210301 [0,1,0,0,0,0|2,0,0]=3 644 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,1,0,0,0,0|1,0,0]=2 645 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200000210301 [0,1,0,0,0,0|2,0,0]=3 646 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200000210301 [0,1,0,0,0,0|2,0,0]=3 648 B13R1.511 CC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200000210301 [0,1,0,0,0,0|2,0,0]=3 649 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,1,0,0,0,0|1,0,2]=4 650 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,1,0,0,0,0|1,0,2]=4 651 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100015343762 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100103153847 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.511 CC(C)C=Cc1ccc(c(c1)Br)O 271570a_100016257149_100012361655 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.511 CC(C)C=Cc1ccc(c(c1)Cl)O 271570a_100016257149_100012360047 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.511 CC(C)C=Cc1ccc(c(c1)F)O 271570a_100016257149_100000185481 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.511 CC(C)C=Cc1ccc(c(c1)N)O 271570a_100016257149_100000752626 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.511 CC(C)C=Cc1ccc(c(c1)O)O 271570a_100016257149_100009813601 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.511 CC(O)C=Cc1cc(c(cn1)O)N 271570a_200011019289_100009819941 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Br 271570a_200011019289_100012356285 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Cl 271570a_200011019289_100012353702 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)F 271570a_200011019289_100012047266 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)N 271570a_200011019289_100000750455 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)O 271570a_200011019289_100012361655 [0,1,0,0,0,0|1,0,1]=3 665 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Br 271570a_200011019289_100012047281 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Cl 271570a_200011019289_100011214914 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)F 271570a_200011019289_100011215976 [0,1,0,0,0,0|2,0,1]=4 668 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)N 271570a_200011019289_100011218065 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)O 271570a_200011019289_100012360047 [0,1,0,0,0,0|1,0,1]=3 670 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Br 271570a_200011019289_100000685389 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Cl 271570a_200011019289_100011216805 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)F 271570a_200011019289_100000750028 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)N 271570a_200011019289_100011215594 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)O 271570a_200011019289_100000185481 [0,1,0,0,0,0|1,0,1]=3 675 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Br 271570a_200011019289_100000750456 [0,1,0,0,0,0|2,0,1]=4 676 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Cl 271570a_200011019289_200000761891 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)F 271570a_200011019289_100000740924 [0,1,0,0,0,0|2,0,1]=4 678 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)N 271570a_200011019289_100000741789 [0,1,0,0,0,0|2,0,1]=4 679 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)O 271570a_200011019289_100000752626 [0,1,0,0,0,0|1,0,1]=3 680 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Br 271570a_200011019289_100012356990 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)F 271570a_200011019289_100000686035 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)N 271570a_200011019289_100000739049 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [0,1,0,0,0,0|1,0,1]=3 685 B13R1.511 CC(O)C=Cc1ccc(c(n1)Br)O 271570a_200011019289_100000725334 [0,1,0,0,0,0|2,0,1]=4 686 B13R1.511 CC(O)C=Cc1ccc(c(n1)Cl)O 271570a_200011019289_100000721234 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.511 CC(O)C=Cc1ccc(c(n1)F)O 271570a_200011019289_100009819667 [0,1,0,0,0,0|2,0,1]=4 688 B13R1.511 CC(O)C=Cc1ccc(c(n1)N)O 271570a_200011019289_100000685527 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.511 CC(O)C=Cc1cnc(c(c1)Cl)O 271570a_200011019289_100010238531 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.511 CC(O)C=Cc1cnc(c(c1)N)O 271570a_200011019289_100000743729 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.511 Cc1cc(ccc1Br)C=CC(C)O 271570a_200011019289_100009813585 [0,1,0,0,0,0|2,0,1]=4 692 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [0,1,0,0,0,0|2,0,1]=4 693 B13R1.511 Cc1cc(ccc1F)C=CC(=O)[13CH3] 1458a_100016261966_200025704644 [0,1,0,0,0,0|2,0,0]=3 694 B13R1.511 Cc1cc(ccc1F)C=CC(C)O 271570a_200011019289_100011218330 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.511 Cc1cc(ccc1N)C=CC(C)O 271570a_200011019289_100000211769 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.511 Cc1cc(ccc1O)C=CC(C)C 271570a_100016257149_100000186361 [0,1,0,0,0,0|2,0,1]=4 697 B13R1.511 Cc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000186361 [0,1,0,0,0,0|1,0,1]=3 698 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [0,1,0,0,0,0|2,0,1]=4 700 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,1,0,0,0,0|1,0,2]=4 701 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [0,1,0,0,0,0|2,0,1]=4 702 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,1,0,0,0,0|1,0,2]=4 703 B13R1.511 Cc1cc(cnc1O)C=CC(C)O 271570a_200011019289_100000685391 [0,1,0,0,0,0|2,0,1]=4 704 B13R1.511 Cc1cc(ncc1O)C=CC(C)O 271570a_200011019289_100000692680 [0,1,0,0,0,0|2,0,1]=4 705 B13R1.511 Cc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011847877 [0,1,0,0,0,0|2,0,1]=4 706 B13R1.511 Cc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100011338269_200025704644 [0,1,0,0,0,0|2,0,0]=3 707 B13R1.511 Cc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011215607 [0,1,0,0,0,0|2,0,1]=4 708 B13R1.511 Cc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100011216363 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.511 Cc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526211_200025704644 [0,1,0,0,0,0|2,0,0]=3 710 B13R1.511 Cc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000720648 [0,1,0,0,0,0|2,0,1]=4 711 B13R1.511 Cc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000761890 [0,1,0,0,0,0|2,0,1]=4 712 B13R1.511 Cc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100000766334 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.511 Cc1nc(ccc1O)C=CC(C)O 271570a_200011019289_100010233687 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000187820 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000187820 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000187820 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [0,1,0,0,0,0|2,0,1]=4 719 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [0,1,0,0,0,0|2,0,1]=4 720 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [0,1,0,0,0,0|2,0,1]=4 721 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747473_100012360047 [0,1,0,0,0,0|2,0,1]=4 722 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747473 [0,1,0,0,0,0|2,0,1]=4 723 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747473 [0,1,0,0,0,0|2,0,1]=4 724 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000747473_100000185481 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000747473_100000752626 [0,1,0,0,0,0|2,0,1]=4 726 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747473 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [0,1,0,0,0,0|1,0,2]=4 729 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [0,1,0,0,0,0|1,0,2]=4 730 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [0,1,0,0,0,0|1,0,2]=4 731 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [0,1,0,0,0,0|1,0,2]=4 732 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [0,1,0,0,0,0|1,0,2]=4 733 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [0,1,0,0,0,0|1,0,2]=4 734 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [0,1,0,0,0,0|1,0,2]=4 735 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [0,1,0,0,0,0|1,0,2]=4 736 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [0,1,0,0,0,0|1,0,2]=4 737 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [0,1,0,0,0,0|1,0,2]=4 738 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [0,1,0,0,0,0|1,0,2]=4 739 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [0,1,0,0,0,0|1,0,2]=4 740 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [0,1,0,0,0,0|1,0,2]=4 741 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_200025704644 [0,1,0,0,0,0|2,0,0]=3 742 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_200025704644 [0,1,0,0,0,0|2,0,0]=3 743 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,1,0,0,0,0|1,0,0]=2 744 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_200025704644 [0,1,0,0,0,0|2,0,0]=3 745 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_200025704644 [0,1,0,0,0,0|2,0,0]=3 746 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,1,0,0,0,0|1,0,0]=2 747 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_200025704644 [0,1,0,0,0,0|2,0,0]=3 748 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_200025704644 [0,1,0,0,0,0|2,0,0]=3 749 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_200025704644 [0,1,0,0,0,0|2,0,0]=3 750 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,1,0,0,0,0|1,0,2]=4 751 B13R1.512 CC(C)(C)C=Cc1ccc(cc1)O 271570a_100102527731_100000185759 [0,1,0,0,0,0|2,0,1]=4 752 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Br 271570a_200016258132_100000752885 [0,1,0,0,0,0|2,0,1]=4 753 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Cl 271570a_200016258132_100000755918 [0,1,0,0,0,0|2,0,1]=4 754 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)F 271570a_200016258132_100000211213 [0,1,0,0,0,0|2,0,1]=4 755 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)N 271570a_200016258132_100000185761 [0,1,0,0,0,0|2,0,1]=4 756 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)O 271570a_200016258132_100000185759 [0,1,0,0,0,0|1,0,1]=3 757 B13R1.512 CC(C)(O)C=Cc1ccc(cn1)O 271570a_200016258132_100000685995 [0,1,0,0,0,0|2,0,1]=4 758 B13R1.512 Cc1ccc(cc1)C=CC(C)(C)O 271570a_200016258132_100000186775 [0,1,0,0,0,0|2,0,1]=4 759 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,0,0,1,0,0|1,0,2]=4 760 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [0,0,0,1,0,0|2,0,0]=3 761 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [0,0,0,1,0,0|3,0,0]=4 762 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [0,0,0,1,0,0|3,0,0]=4 763 B13R2.155 Cc1ncc2ccc(cc2n1)O 271570a_203496583355_100010233817 [0,0,0,1,0,0|3,0,0]=4 764 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [0,0,0,1,0,0|3,0,0]=4 765 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [0,0,0,1,0,0|2,0,0]=3 766 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [0,0,0,1,0,0|2,0,0]=3 767 B13R2.155 Nc1ccc2ccc(nc2n1)O 271570a_203496583355_100000117679 [0,0,0,1,0,0|3,0,0]=4 768 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [0,0,0,1,0,0|3,0,0]=4 769 B13R2.155 Nc1cnc2ccc(cc2n1)O 271570a_203496583355_100010090528 [0,0,0,1,0,0|3,0,0]=4 770 B13R2.155 Nc1ncc2ccc(cc2n1)O 271570a_203496583355_100010199760 [0,0,0,1,0,0|3,0,0]=4 771 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,0,0,1,0,0|1,0,2]=4 772 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,0,0,1,0,0|1,0,2]=4 773 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,0,0,1,0,0|2,0,1]=4 774 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [0,0,0,1,0,0|2,0,1]=4 775 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [0,0,0,1,0,0|2,0,1]=4 776 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,0,0,1,0,0|2,0,1]=4 777 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,0,0,1,0,0|0,0,0]=1 778 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [0,0,0,1,0,0|2,0,0]=3 779 B13R2.155 Oc1cc2cc(ccc2cn1)F 271570a_203496583355_100009828686 [0,0,0,1,0,0|3,0,0]=4 780 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [0,0,0,1,0,0|1,0,0]=2 781 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [0,0,0,1,0,0|1,0,0]=2 782 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [0,0,0,1,0,0|1,0,0]=2 783 B13R2.155 Oc1ccc2ccc(nc2n1)O 271570a_203496583355_200010218124 [0,0,0,1,0,0|2,0,0]=3 784 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [0,0,0,1,0,0|3,0,0]=4 785 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [0,0,0,1,0,0|2,0,0]=3 786 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [0,0,0,1,0,0|3,0,0]=4 787 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [0,0,0,1,0,0|2,0,0]=3 788 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [0,0,0,1,0,0|2,0,0]=3 789 B13R2.155 Oc1ccc2ncc(cc2n1)F 271570a_203496583355_100009889179 [0,0,0,1,0,0|3,0,0]=4 790 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [0,0,0,1,0,0|2,0,0]=3 791 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [0,0,0,1,0,0|2,0,0]=3 792 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [0,0,0,1,0,0|3,0,0]=4 793 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [0,0,0,1,0,0|3,0,0]=4 794 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [0,0,0,1,0,0|2,0,0]=3 795 B13R2.155 Oc1ncc2ccc(cc2n1)F 271570a_203496583355_100000104070 [0,0,0,1,0,0|3,0,0]=4 796 B13R2.155 [O-][n+]1ccc2ccc(cc2c1)O 271570a_203496583355_100009816120 [0,0,0,1,0,0|2,0,1]=4 797 B13R2.527 Oc1ccc(cc1)C=CC2CC2 271570a_100102526188_100000185759 [0,0,0,1,0,0|2,0,1]=4 798 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,0,0,0,1,0|3,0,0]=4 799 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,0,0,0,1,0|3,0,0]=4 800 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,0,0,0,1,0|3,0,0]=4 801 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,0,0,0,1,0|3,0,0]=4 802 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,0,0,0,1,0|3,0,0]=4 803 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,0,0,0,1,0|2,0,0]=3 804 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,0,0,0,1,0|3,0,0]=4 805 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,0,0,0,1,0|2,0,1]=4 806 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,0,0,0,1,0|2,0,1]=4 807 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,0,0,1,0|2,0,1]=4 808 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,0,0,1,0|2,0,1]=4 809 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,0,0,0,1,0|2,0,1]=4 810 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,0,0,0,1,0|2,0,1]=4 811 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,0,0,0,1,0|2,0,1]=4 812 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,0,0,0,1,0|2,0,1]=4 813 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,0,0,0,1,0|2,0,1]=4 814 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,0,0,0,1,0|2,0,1]=4 815 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,0,0,0,1,0|1,0,1]=3 816 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,0,0,0,1,0|1,0,1]=3 817 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,0,0,0,1,0|3,0,0]=4 818 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,0,0,0,1,0|3,0,0]=4 819 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,0,0,0,1,0|3,0,0]=4 820 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,0,0,0,1,0|3,0,0]=4 821 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,0,0,1,0|3,0,0]=4 822 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,0,0,1,0|3,0,0]=4 823 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,0,0,1,0|3,0,0]=4 824 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,0,0,1,0|3,0,0]=4 825 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,0,0,1,0|3,0,0]=4 826 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,0,0,1,0|3,0,0]=4 827 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,0,0,1,0|3,0,0]=4 828 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,0,0,1,0|3,0,0]=4 829 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,0,0,0,1,0|3,0,0]=4 830 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,0,0,0,1,0|3,0,0]=4 831 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,0,0,0,1,0|3,0,0]=4 832 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,0,0,0,1,0|3,0,0]=4 833 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,0,0,0,1,0|3,0,0]=4 834 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,0,0,0,1,0|3,0,0]=4 835 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,0,0,0,1,0|3,0,0]=4 836 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,0,0,0,1,0|3,0,0]=4 837 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,0,0,0,1,0|2,0,0]=3 838 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,0,0,0,1,0|2,0,0]=3 839 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,0,0,0,1,0|3,0,0]=4 840 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,0,0,0,1,0|3,0,0]=4 841 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,0,0,0,1,0|2,0,0]=3 842 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,0,0,0,1,0|2,0,0]=3 843 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,0,0,0,1,0|2,1,0]=4 844 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,0,0,1,0|2,0,1]=4 845 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,0,0,0,1,0|1,0,1]=3 846 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,0,0,0,1,0|2,0,1]=4 847 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,0,0,0,1,0|2,0,1]=4 848 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,0,0,0,1,0|2,0,0]=3 849 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,0,0,0,1,0|2,0,0]=3 850 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,0,0,0,1,0|2,0,0]=3 851 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,0,0,0,1,0|2,0,1]=4 852 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,0,0,0,1,0|2,0,1]=4 853 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,0,0,0,1,0|2,0,1]=4 854 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,0,0,0,1,0|2,0,1]=4 855 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,0,0,0,1,0|1,0,1]=3 856 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,0,0,0,1,0|3,0,0]=4 857 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,0,0,0,1,0|3,0,0]=4 858 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,0,0,0,1,0|3,0,0]=4 859 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,0,0,0,1,0|3,0,0]=4 860 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,0,0,0,1,0|3,0,0]=4 861 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,0,0,0,1,0|3,0,0]=4 862 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,0,0,0,1,0|3,0,0]=4 863 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,0,0,0,1,0|3,0,0]=4 864 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,0,0,0,1,0|3,0,0]=4 865 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,0,0,0,1,0|3,0,0]=4 866 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,0,0,0,1,0|3,0,0]=4 867 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,0,0,0,1,0|3,0,0]=4 868 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,0,0,0,1,0|3,0,0]=4 869 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,0,0,0,1,0|3,0,0]=4 870 B13R1.513 CC(=CCNc1ccc(cc1)O)C 34a_100000185829_100000761012 [0,0,0,0,0,1|2,0,1]=4 871 B13R1.513 CC(=CCSc1ccc(cc1)O)C 62a_100000761012_100000185759 [0,0,0,0,0,1|2,0,1]=4 872 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,0,0,0,0,1|1,0,2]=4 873 B13R1.513 CC(=O)CCSc1ccc(cc1)O 62a_100000053229_100000185759 [0,0,0,0,0,1|1,0,2]=4 874 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [0,0,0,0,0,1|1,0,2]=4 875 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [0,0,0,0,0,1|1,0,2]=4 876 B13R1.513 CC(=O)NN=Cc1ccc(cc1)Br 4a_100000189765_100000186029 [0,0,0,0,0,1|3,0,0]=4 877 B13R1.513 CC(=O)NN=Cc1ccc(cc1)C 4a_100000189765_100000211033 [0,0,0,0,0,1|3,0,0]=4 878 B13R1.513 CC(=O)NN=Cc1ccc(cc1)Cl 4a_100000189765_100000189385 [0,0,0,0,0,1|3,0,0]=4 879 B13R1.513 CC(=O)NN=Cc1ccc(cc1)F 4a_100000189765_100000210084 [0,0,0,0,0,1|3,0,0]=4 880 B13R1.513 CC(=O)NN=Cc1ccc(cc1)I 4a_100000189765_100000188517 [0,0,0,0,0,1|3,0,0]=4 881 B13R1.513 CC(=O)NN=Cc1ccc(cc1)O 4a_100000189765_100000185832 [0,0,0,0,0,1|2,0,0]=3 882 B13R1.513 CC(=O)NN=Cc1ccc(cn1)O 4a_100000189765_100000059846 [0,0,0,0,0,1|3,0,0]=4 883 B13R1.513 CC(=O)NN=Cc1ccc(nc1)O 4a_100000189765_100011361521 [0,0,0,0,0,1|3,0,0]=4 884 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,0,0,0,0,1|1,0,2]=4 885 B13R1.513 CC(=O)OCNc1ccc(cc1)O 34a_100000185829_100009813279 [0,0,0,0,0,1|2,0,1]=4 886 B13R1.513 CC(=O)OCSc1ccc(cc1)O 62a_100000076356_100000185759 [0,0,0,0,0,1|2,0,1]=4 887 B13R1.513 CC(C)CC=Cc1ccc(cc1)O 271570a_100016259101_100000185759 [0,0,0,0,0,1|2,0,1]=4 888 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,0,0,0,0,1|1,0,2]=4 889 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [0,0,0,0,0,1|1,0,2]=4 890 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [0,0,0,0,0,1|1,0,2]=4 891 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [0,0,0,0,0,1|1,0,2]=4 892 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,0,0,0,0,1|1,0,2]=4 893 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,0,0,0,0,1|1,0,2]=4 894 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,0,0,0,0,1|1,0,2]=4 895 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,0,0,0,0,1|1,0,2]=4 896 B13R1.513 O=C([O-])CNCc1ccc(cc1)O 34a_100000185549_100020667443 [0,0,0,0,0,1|0,0,3]=4 897 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,0,0,0,0,1|1,0,2]=4 898 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|0,0,1]=3 899 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [2,0,0,0,0,0|1,0,1]=4 900 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [2,0,0,0,0,0|1,0,1]=4 901 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [2,0,0,0,0,0|1,0,1]=4 902 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [2,0,0,0,0,0|1,0,1]=4 903 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [2,0,0,0,0,0|1,0,1]=4 904 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [2,0,0,0,0,0|0,0,1]=3 905 B10R1.1 C=C=Cc1ccc(cn1)O 271570a_100015277604_100000685995 [2,0,0,0,0,0|1,0,1]=4 906 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [2,0,0,0,0,0|1,0,1]=4 907 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [2,0,0,0,0,0|1,0,1]=4 908 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [2,0,0,0,0,0|1,0,1]=4 909 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [2,0,0,0,0,0|1,0,1]=4 910 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [2,0,0,0,0,0|1,0,1]=4 911 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|0,0,1]=3 912 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [2,0,0,0,0,0|1,0,1]=4 913 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|0,0,1]=3 914 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [2,0,0,0,0,0|0,0,2]=4 915 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|1,0,0]=3 916 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,1]=4 917 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,1]=4 918 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,1]=4 919 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,1]=4 920 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,1]=4 921 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [1,1,0,0,0,0|1,0,1]=4 922 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [1,1,0,0,0,0|1,0,1]=4 923 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [1,1,0,0,0,0|1,0,1]=4 924 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [1,1,0,0,0,0|1,0,1]=4 925 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,1,0,0,0,0|1,0,1]=4 926 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [1,1,0,0,0,0|1,0,1]=4 927 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [1,1,0,0,0,0|1,0,1]=4 928 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [1,1,0,0,0,0|1,0,1]=4 929 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [1,1,0,0,0,0|1,0,1]=4 930 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [1,1,0,0,0,0|1,0,1]=4 931 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [1,1,0,0,0,0|1,0,1]=4 932 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [1,1,0,0,0,0|0,0,1]=3 933 B12R1.1 COCC=Cc1ccc(cn1)O 271570a_100016286323_100000685995 [1,1,0,0,0,0|1,0,1]=4 934 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|0,0,2]=4 935 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|0,0,2]=4 936 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [1,1,0,0,0,0|1,0,1]=4 937 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [1,1,0,0,0,0|1,0,1]=4 938 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [1,1,0,0,0,0|1,0,1]=4 939 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [1,1,0,0,0,0|0,0,2]=4 940 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [1,1,0,0,0,0|2,0,0]=4 941 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [1,1,0,0,0,0|1,0,1]=4 942 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [1,1,0,0,0,0|1,0,1]=4 943 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [1,1,0,0,0,0|1,0,1]=4 944 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [1,1,0,0,0,0|1,0,1]=4 945 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [1,1,0,0,0,0|1,0,1]=4 946 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [1,1,0,0,0,0|1,0,1]=4 947 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [1,1,0,0,0,0|1,0,1]=4 948 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [1,1,0,0,0,0|1,0,1]=4 949 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [1,1,0,0,0,0|1,0,1]=4 950 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [1,1,0,0,0,0|1,0,1]=4 951 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [1,1,0,0,0,0|1,0,1]=4 952 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [1,1,0,0,0,0|1,0,1]=4 953 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [1,1,0,0,0,0|1,0,1]=4 954 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [1,1,0,0,0,0|1,0,1]=4 955 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [1,1,0,0,0,0|1,0,1]=4 956 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [1,1,0,0,0,0|1,0,1]=4 957 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [1,1,0,0,0,0|1,0,1]=4 958 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [1,1,0,0,0,0|1,0,1]=4 959 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [1,1,0,0,0,0|1,0,1]=4 960 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [1,1,0,0,0,0|1,0,1]=4 961 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [1,1,0,0,0,0|0,1,0]=3 962 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [1,1,0,0,0,0|0,1,0]=3 963 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [1,1,0,0,0,0|1,0,1]=4 964 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [1,1,0,0,0,0|1,0,1]=4 965 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [1,1,0,0,0,0|1,0,1]=4 966 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [1,1,0,0,0,0|1,0,1]=4 967 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [1,1,0,0,0,0|1,0,1]=4 968 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [1,1,0,0,0,0|0,1,0]=3 969 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [1,1,0,0,0,0|0,1,0]=3 970 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [1,1,0,0,0,0|1,0,1]=4 971 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [1,1,0,0,0,0|1,0,1]=4 972 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [1,1,0,0,0,0|1,0,1]=4 973 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [1,1,0,0,0,0|1,0,1]=4 974 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [1,1,0,0,0,0|1,0,1]=4 975 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [1,1,0,0,0,0|1,0,1]=4 976 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [1,1,0,0,0,0|1,0,1]=4 977 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [1,1,0,0,0,0|1,0,1]=4 978 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [1,1,0,0,0,0|1,0,1]=4 979 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [1,1,0,0,0,0|1,0,1]=4 980 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [1,1,0,0,0,0|1,0,1]=4 981 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [1,1,0,0,0,0|1,0,1]=4 982 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [1,1,0,0,0,0|1,0,1]=4 983 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [1,1,0,0,0,0|1,0,1]=4 984 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [1,1,0,0,0,0|1,0,1]=4 985 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [1,1,0,0,0,0|1,0,1]=4 986 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [1,1,0,0,0,0|1,0,1]=4 987 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,1,0,0,0,0|1,0,0]=3 988 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [1,1,0,0,0,0|2,0,0]=4 989 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [1,1,0,0,0,0|2,0,0]=4 990 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [1,1,0,0,0,0|2,0,0]=4 991 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,1,0,0,0,0|1,0,0]=3 992 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,1,0,0,0,0|1,0,0]=3 993 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [1,1,0,0,0,0|2,0,0]=4 994 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [1,1,0,0,0,0|2,0,0]=4 995 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [1,1,0,0,0,0|2,0,0]=4 996 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [1,1,0,0,0,0|2,0,0]=4 997 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,1,0,0,0,0|1,0,1]=4 999 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,1,0,0,0,0|1,0,1]=4 1000 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,1,0,0,0,0|1,0,1]=4 1001 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,1,0,0,0,0|1,0,1]=4 1002 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,1,0,0,0,0|1,0,1]=4 1003 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [1,1,0,0,0,0|1,0,0]=3 1004 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [1,1,0,0,0,0|2,0,0]=4 1005 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [1,1,0,0,0,0|2,0,0]=4 1006 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [1,1,0,0,0,0|2,0,0]=4 1007 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,1,0,0,0,0|0,0,2]=4 1008 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1009 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1010 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [1,1,0,0,0,0|2,0,0]=4 1011 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,1,0,0,0,0|1,0,0]=3 1012 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [1,1,0,0,0,0|2,0,0]=4 1013 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,1,0,0,0,0|1,0,0]=3 1014 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1015 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [1,1,0,0,0,0|2,0,0]=4 1016 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [1,1,0,0,0,0|1,0,0]=3 1017 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [1,1,0,0,0,0|2,0,0]=4 1019 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [1,1,0,0,0,0|2,0,0]=4 1020 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1021 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [1,1,0,0,0,0|1,0,0]=3 1022 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [1,1,0,0,0,0|2,0,0]=4 1023 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [1,1,0,0,0,0|2,0,0]=4 1024 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [1,1,0,0,0,0|1,0,0]=3 1025 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [1,1,0,0,0,0|1,0,0]=3 1026 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,1,0,0,0,0|1,0,1]=4 1027 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,1,0,0,0,0|1,0,1]=4 1028 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [1,1,0,0,0,0|1,0,1]=4 1029 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [1,1,0,0,0,0|0,0,2]=4 1030 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,1,0,0,0,0|1,0,1]=4 1031 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [1,1,0,0,0,0|1,0,0]=3 1032 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [1,1,0,0,0,0|1,0,0]=3 1033 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [1,1,0,0,0,0|1,0,0]=3 1034 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [1,1,0,0,0,0|1,0,0]=3 1035 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [1,1,0,0,0,0|1,0,1]=4 1036 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [1,1,0,0,0,0|1,0,1]=4 1037 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [1,1,0,0,0,0|1,0,1]=4 1038 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [1,1,0,0,0,0|1,0,1]=4 1039 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [1,1,0,0,0,0|1,0,1]=4 1040 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [1,1,0,0,0,0|1,0,1]=4 1041 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [1,1,0,0,0,0|1,0,0]=3 1042 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [1,1,0,0,0,0|1,0,0]=3 1043 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [1,1,0,0,0,0|1,0,0]=3 1044 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [1,1,0,0,0,0|1,0,0]=3 1045 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,1,0,0,0,0|1,0,0]=3 1046 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [1,1,0,0,0,0|1,0,0]=3 1047 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [1,1,0,0,0,0|1,0,0]=3 1048 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [1,1,0,0,0,0|1,0,0]=3 1049 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [1,1,0,0,0,0|1,0,0]=3 1050 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [1,1,0,0,0,0|1,0,0]=3 1051 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [1,1,0,0,0,0|1,0,1]=4 1052 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [1,1,0,0,0,0|1,0,1]=4 1053 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [1,1,0,0,0,0|1,0,1]=4 1054 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [1,1,0,0,0,0|1,0,1]=4 1055 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [1,1,0,0,0,0|1,0,1]=4 1056 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [1,1,0,0,0,0|1,0,1]=4 1057 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [1,1,0,0,0,0|1,0,0]=3 1058 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [1,1,0,0,0,0|1,0,1]=4 1059 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [1,1,0,0,0,0|1,0,0]=3 1060 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [1,1,0,0,0,0|1,0,0]=3 1061 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [1,1,0,0,0,0|1,0,0]=3 1062 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [1,1,0,0,0,0|1,0,0]=3 1063 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [1,1,0,0,0,0|1,0,1]=4 1064 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,1,0,0,1,0|2,0,0]=4 1065 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,1,0,0,1,0|1,0,1]=4 1066 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,1,0,0,1,0|1,0,1]=4 1067 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,1,0,0,1,0|1,0,1]=4 1068 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,1,0,0,1,0|1,0,1]=4 1069 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,1,0,0,1,0|2,0,0]=4 1070 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,0,0,1,0|2,0,0]=4 1071 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,0,0,1,0|2,0,0]=4 1072 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,1,0,0,1,0|2,0,0]=4 1073 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,1,0,0,1,0|1,0,1]=4 1074 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,1,0,0,1,0|1,0,1]=4 1075 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,1,0,0,1,0|1,0,1]=4 1076 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,1,0,0,1,0|1,0,1]=4 1077 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,1,0,0,1,0|1,0,1]=4 1078 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,0,0,1,0|2,0,0]=4 1079 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,0,0,1,0|2,0,0]=4 1080 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,0,0,1,0|2,0,0]=4 1081 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,0,0,1,0|2,0,0]=4 1082 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,0,0,1,0|2,0,0]=4 1083 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,0,0,1,0|2,0,0]=4 1084 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,1,0,0,1,0|1,0,1]=4 1085 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,1,0,0,1,0|1,0,1]=4 1086 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,1,0,0,1,0|2,0,0]=4 1087 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,1,0,0,1,0|2,0,0]=4 1088 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,1,0,0,1,0|2,0,0]=4 1089 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,1,0,0,1,0|2,0,0]=4 1090 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,1,0,0,1,0|2,0,0]=4 1091 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,1,0,0,1,0|2,0,0]=4 1092 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,1,0,0,1,0|1,0,1]=4 1093 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,1,0|1,0,1]=4 1094 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,1,0,0,1,0|1,0,1]=4 1095 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,1,0,0,1,0|1,0,1]=4 1096 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,1,0,0,1,0|1,0,1]=4 1097 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,1,0,0,1,0|1,0,1]=4 1098 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,1,0,0,1,0|2,0,0]=4 1099 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,1,0,0,1,0|2,0,0]=4 1100 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,1,0|2,0,0]=4 1101 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,1,0|2,0,0]=4 1102 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,1,0|2,0,0]=4 1103 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,1,0|2,0,0]=4 1104 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,1,0,0,1,0|2,0,0]=4 1105 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,1,0,0,1,0|2,0,0]=4 1106 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,1,0,0,1,0|2,0,0]=4 1107 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,1,0,0,1,0|2,0,0]=4 1108 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,1,0,0,1,0|2,0,0]=4 1109 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,1,0,0,1,0|2,0,0]=4 1110 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,1,0|1,0,1]=4 1111 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,0,0,1,0|2,0,0]=4 1112 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,1,0,0,1,0|1,0,1]=4 1113 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,1,0,0,1,0|1,0,1]=4 1114 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,1,0,0,1,0|1,0,1]=4 1115 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,1,0,0,1,0|1,0,1]=4 1116 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,1,0,0,1,0|2,0,0]=4 1117 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,1,0|1,0,1]=4 1118 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,1,0|1,0,1]=4 1119 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,1,0|2,0,0]=4 1120 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,1,0|2,0,0]=4 1121 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,1,0|2,0,0]=4 1122 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,1,0|1,0,1]=4 1123 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,1,0|1,0,0]=3 1124 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,1,0|1,0,1]=4 1125 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,1,0,0,1,0|2,0,0]=4 1126 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,1,0,0,1,0|2,0,0]=4 1127 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,1,0,0,1,0|2,0,0]=4 1128 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,1,0,0,1,0|2,0,0]=4 1129 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,1,0,0,1,0|2,0,0]=4 1130 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,1,0,0,1,0|2,0,0]=4 1131 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,1,0,0,1,0|1,0,1]=4 1132 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,1,0,0,1,0|1,0,1]=4 1133 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,1,0,0,1,0|2,0,0]=4 1134 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,1,0,0,1,0|2,0,0]=4 1135 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,1,0|2,0,0]=4 1136 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,1,0|2,0,0]=4 1137 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,1,0|2,0,0]=4 1138 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,1,0,0,1,0|2,0,0]=4 1139 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,1,0,0,1,0|2,0,0]=4 1140 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,1,0,0,1,0|2,0,0]=4 1141 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,1,0,0,1,0|2,0,0]=4 1142 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,1,0,0,1,0|2,0,0]=4 1143 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,1,0,0,1,0|2,0,0]=4 1144 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,1,0,0,1,0|2,0,0]=4 1145 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,1,0,0,1,0|2,0,0]=4 1146 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,1,0,0,1,0|2,0,0]=4 1147 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,1,0|2,0,0]=4 1148 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,1,0|2,0,0]=4 1149 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,1,0,0,1,0|2,0,0]=4 1150 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,1,0,0,1,0|1,0,1]=4 1151 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,1,0,0,1,0|1,0,1]=4 1152 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [0,1,0,0,1,0|1,0,0]=3 1153 B12R1.59 CC(=O)C=Cc1cc(cs1)CO 1458a_100016256208_200000210301 [0,1,0,0,1,0|2,0,0]=4 1154 B12R1.59 [13CH3]C(=O)C=Cc1cc(cs1)CO 1458a_100016256208_200025704644 [0,1,0,0,1,0|2,0,0]=4 1155 B14R1.4 CC(=O)NN=Cc1ccc(cc1)CO 4a_100000189765_100009832023 [0,1,0,0,0,1|2,0,0]=4 1156 B14R1.4 COc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000169835 [0,1,0,0,0,1|2,0,0]=4 1157 B14R1.4 COc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000742318 [0,1,0,0,0,1|0,0,2]=4 1158 B14R1.4 O=C(O)CNCc1ccc(cc1)CO 269956a_100016091260_100000067286 [0,1,0,0,0,1|0,0,2]=4 1159 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)O 4a_100000183195_100000185832 [0,1,0,0,0,1|2,0,0]=4 1160 B14R1.13 COC(=O)C=NNc1ccc(cc1)Br 4a_100000735608_200011823558 [0,1,0,0,0,1|2,0,0]=4 1161 B14R1.13 COC(=O)C=NNc1ccc(cc1)C 4a_100000683527_200011823558 [0,1,0,0,0,1|2,0,0]=4 1162 B14R1.13 COC(=O)C=NNc1ccc(cc1)Cl 4a_100000683521_200011823558 [0,1,0,0,0,1|2,0,0]=4 1163 B14R1.13 COC(=O)C=NNc1ccc(cc1)F 4a_100000728448_200011823558 [0,1,0,0,0,1|2,0,0]=4 1164 B14R1.13 COC(=O)C=NNc1ccc(cc1)I 4a_100016988836_200011823558 [0,1,0,0,0,1|2,0,0]=4 1165 B14R1.13 COC(=O)CCCc1ccc(cc1)O 271570a_203496583355_100010209878 [0,1,0,0,0,1|0,0,2]=4 1166 B14R1.13 COC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000742370 [0,1,0,0,0,1|0,0,2]=4 1167 B14R1.13 COC(=O)CCSc1ccc(cc1)O 62a_100000204255_100000185759 [0,1,0,0,0,1|0,0,2]=4 1168 B14R1.13 COC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000747449 [0,1,0,0,0,1|0,0,2]=4 1169 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 240690a_100000743037_100000210174 [0,1,0,0,0,1|0,0,2]=4 1170 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 527a_100000743037_100000210174 [0,1,0,0,0,1|0,0,2]=4 1171 B14R1.678 CC(=CCC(=O)c1ccc(cc1)O)C 1458a_100000212099_100000761012 [0,1,0,0,0,1|2,0,0]=4 1172 B14R1.678 CC(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_200000210301 [0,1,0,0,0,1|1,0,1]=4 1173 B14R1.678 CC(=O)COC(=O)c1ccc(cc1)O 271570a_203496583355_200027936475 [0,1,0,0,0,1|1,0,1]=4 1174 B14R1.678 CC(=O)NN=C(C)c1ccc(cc1)O 4a_100000189765_100000185113 [0,1,0,0,0,1|2,0,0]=4 1175 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)O 22a_100000189765_100000212099 [0,1,0,0,0,1|2,0,0]=4 1176 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)O 271570a_203496583355_100009811547 [0,1,0,0,0,1|1,0,1]=4 1177 B14R1.678 NC(=O)CNC(=O)c1ccc(cc1)O 240690a_100000711301_100000212099 [0,1,0,0,0,1|1,0,1]=4 1178 B14R1.678 NC(=O)CNC(=O)c1ccc(cc1)O 527a_100000711301_100000212099 [0,1,0,0,0,1|1,0,1]=4 1179 B14R1.678 [13CH3]C(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_200025704644 [0,1,0,0,0,1|1,0,1]=4 1180 B14R1.679 CC(=O)C(=O)CNc1ccc(cc1)O 34a_100000185829_100011261029 [0,1,0,0,0,1|1,0,1]=4 1181 B14R1.679 CC(=O)C(=O)CSc1ccc(cc1)O 62a_100011261029_100000185759 [0,1,0,0,0,1|1,0,1]=4 1182 B14R1.679 NC(=O)C(=O)NCc1ccc(cc1)O 240690a_100000185549_100011215815 [0,1,0,0,0,1|1,0,1]=4 1183 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)Br)O 4a_100000189765_100000184552 [0,1,0,0,0,1|2,0,0]=4 1184 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)C)O 4a_100000189765_100011215669 [0,1,0,0,0,1|2,0,0]=4 1185 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)Cl)O 4a_100000189765_100000186751 [0,1,0,0,0,1|2,0,0]=4 1186 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)F)O 4a_100000189765_100000742332 [0,1,0,0,0,1|2,0,0]=4 1187 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)I)O 4a_100000189765_100000186752 [0,1,0,0,0,1|2,0,0]=4 1188 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)O 4a_100000189765_100000184535 [0,1,0,0,0,1|2,0,0]=4 1189 B14R1.698 CC(=CC(=O)Nc1ccc(cc1)O)C 22a_100000185829_100000211388 [0,1,0,0,0,1|2,0,0]=4 1190 B14R1.698 CC(=CC(=O)Nc1ccc(cc1)O)Cl 22a_100000185829_200042562850 [0,1,0,0,0,1|2,0,0]=4 1191 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)O 1458a_100000070787_100000233757 [0,1,0,0,0,1|1,0,1]=4 1192 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000182854 [0,1,0,0,0,1|1,0,1]=4 1193 B14R1.698 NC(=O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000187820 [0,1,0,0,0,1|1,0,1]=4 1194 B14R1.698 NC(=O)CC(=O)Nc1ccc(cc1)O 22a_100000185829_100134613110 [0,1,0,0,0,1|1,0,1]=4 1195 B14R1.698 O=C([O-])CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100020667443 [0,1,0,0,0,1|0,0,2]=4 1196 B14R1.4464 CC(=O)NN=Cc1ccc(cc1Br)O 4a_100000189765_100011236494 [0,1,0,0,0,1|2,0,0]=4 1197 B14R1.4464 CC(=O)NN=Cc1ccc(cc1C)O 4a_100000189765_100000759874 [0,1,0,0,0,1|2,0,0]=4 1198 B14R1.4464 CC(=O)NN=Cc1ccc(cc1Cl)O 4a_100000189765_100011215651 [0,1,0,0,0,1|2,0,0]=4 1199 B14R1.4464 CC(=O)NN=Cc1ccc(cc1F)O 4a_100000189765_100000050915 [0,1,0,0,0,1|2,0,0]=4 1200 B14R1.4464 CC(=O)NN=Cc1ccc(cc1I)O 4a_100000189765_100000051608 [0,1,0,0,0,1|2,0,0]=4 1201 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)O 4a_100000189765_100000212098 [0,1,0,0,0,1|2,0,0]=4 1202 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000212054 [0,2,0,0,0,0|1,0,1]=4 1203 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)N 1458a_100000184203_100000187820 [0,2,0,0,0,0|1,0,1]=4 1204 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000184203_100020667443 [0,2,0,0,0,0|0,0,2]=4 1205 B14R1.2 COc1ccc(cc1)N(C)CC(=O)O 269956a_200011202415_200000210301 [0,2,0,0,0,0|1,0,1]=4 1206 B14R1.2 COc1ccc(cc1)N([13CH3])CC(=O)O 269956a_200011202415_200025704644 [0,2,0,0,0,0|1,0,1]=4 1207 B14R1.2 NC(=O)CC(=O)c1ccc(cc1)CO 1458a_100000183892_100000187820 [0,2,0,0,0,0|1,0,1]=4 1208 B14R1.2 O=C([O-])CC(=O)c1ccc(cc1)CO 1458a_100000183892_100020667443 [0,2,0,0,0,0|0,0,2]=4 1209 B14R1.3 C/C(=C\c1ccc(cc1)O[13CH3])/[N+](=O)[O-] 34a_200020671538_200025704644 [0,2,0,0,0,0|1,0,1]=4 1210 B14R1.3 C/C(=C\c1ccc(cc1)O[13CH3])/[N+](=O)[O-] 7a_200020671538_200025704644 [0,2,0,0,0,0|1,0,1]=4 1211 B14R1.3 COc1ccc(cc1)/C=C(\C)/[N+](=O)[O-] 34a_200020671538_200000210301 [0,2,0,0,0,0|1,0,1]=4 1212 B14R1.3 COc1ccc(cc1)/C=C(\C)/[N+](=O)[O-] 7a_200020671538_200000210301 [0,2,0,0,0,0|1,0,1]=4 1213 B14R1.3 COc1ccc(cc1)NC(=O)C(=O)N 22a_100000184247_100011215815 [0,2,0,0,0,0|2,0,0]=4 1214 B14R1.3 NC(=O)C(=O)Nc1ccc(cc1)CO 22a_100011215238_100011215815 [0,2,0,0,0,0|2,0,0]=4 1215 B14R1.5 C=Cc1ccc(cc1)/C=C/C(=O)OC 271570a_100011290941_100000148628 [0,2,0,0,0,0|1,0,0]=3 1216 B14R1.5 CCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000210202 [0,2,0,0,0,0|2,0,0]=4 1217 B14R1.5 CCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210202 [0,2,0,0,0,0|2,0,0]=4 1218 B14R1.5 CCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210202 [0,2,0,0,0,0|1,0,0]=3 1219 B14R1.5 CCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210202 [0,2,0,0,0,0|1,1,0]=4 1220 B14R1.5 CCc1ccc(cc1)C=CC(=O)CF 1458a_100000187855_100015361967 [0,2,0,0,0,0|2,0,0]=4 1221 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 11a_106832991635_100000187855 [0,2,0,0,0,0|2,0,0]=4 1222 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 1626a_100102657272_100000187855 [0,2,0,0,0,0|2,0,0]=4 1223 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 240690a_100102657272_100000187855 [0,2,0,0,0,0|2,0,0]=4 1224 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 11a_106832991635_100000185084 [0,2,0,0,0,0|2,0,0]=4 1225 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 1626a_100102657272_100000185084 [0,2,0,0,0,0|2,0,0]=4 1226 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 240690a_100102657272_100000185084 [0,2,0,0,0,0|2,0,0]=4 1227 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 11a_106832991635_100000184205 [0,2,0,0,0,0|1,0,0]=3 1228 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 1626a_100102657272_100000184205 [0,2,0,0,0,0|1,0,0]=3 1229 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 527a_100102657272_100000184205 [0,2,0,0,0,0|1,0,0]=3 1230 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 11a_106832991635_100102526083 [0,2,0,0,0,0|1,1,0]=4 1231 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 1626a_100102657272_100102526083 [0,2,0,0,0,0|1,1,0]=4 1232 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 240690a_100102657272_100102526083 [0,2,0,0,0,0|1,1,0]=4 1233 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_100000148628_200000210301 [0,2,0,0,0,0|0,1,0]=3 1234 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_200000210301_100000148628 [0,2,0,0,0,0|0,1,0]=3 1235 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_100000148628_200025704644 [0,2,0,0,0,0|0,1,0]=3 1236 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100000148628 [0,2,0,0,0,0|0,1,0]=3 1237 B14R1.5 COC(=O)C=Cc1ccc(cc1)OC 34a_100000151162_200000210301 [0,2,0,0,0,0|0,0,0]=2 1238 B14R1.5 COC(=O)C=Cc1ccc(cc1)O[13CH3] 34a_100000151162_200025704644 [0,2,0,0,0,0|0,0,0]=2 1239 B14R1.5 COC(=O)CCc1ccc(cc1)OC 34a_100000032826_200000210301 [0,2,0,0,0,0|0,0,2]=4 1240 B14R1.5 COC(=O)CCc1ccc(cc1)OC 7a_100000032826_200000210301 [0,2,0,0,0,0|0,0,2]=4 1241 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000032826_200025704644 [0,2,0,0,0,0|0,0,2]=4 1242 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000032826_200025704644 [0,2,0,0,0,0|0,0,2]=4 1243 B14R1.5 COC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747449 [0,2,0,0,0,0|1,0,1]=4 1244 B14R1.5 COC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000747449 [0,2,0,0,0,0|1,0,1]=4 1245 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000747449 [0,2,0,0,0,0|1,0,1]=4 1246 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100016989482_200000210301 [0,2,0,0,0,0|1,0,1]=4 1247 B14R1.5 COC(=O)CNc1ccc(cc1)O[13CH3] 34a_100016989482_200025704644 [0,2,0,0,0,0|1,0,1]=4 1248 B14R1.5 COC(=O)COc1ccc(cc1)CO 34a_100000211755_100000747449 [0,2,0,0,0,0|1,0,1]=4 1249 B14R1.5 COC(=O)COc1ccc(cc1)OC 34a_100000210503_100000747449 [0,2,0,0,0,0|1,0,1]=4 1250 B14R1.5 COC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747449 [0,2,0,0,0,0|1,0,1]=4 1251 B14R1.5 COC(=O)CSc1ccc(cc1)CO 62a_100000747449_100000690907 [0,2,0,0,0,0|1,0,1]=4 1252 B14R1.5 COC(=O)CSc1ccc(cc1)OC 62a_100000747449_100000171711 [0,2,0,0,0,0|1,0,1]=4 1253 B14R1.5 COc1ccc(cc1)C=CC(=O)CF 1458a_100000184205_100015361967 [0,2,0,0,0,0|1,0,0]=3 1254 B14R1.5 COc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100000184700 [0,2,0,0,0,0|0,0,2]=4 1255 B14R1.5 COc1ccc(cc1)CNC(=O)CO 240690a_100000185587_100000210174 [0,2,0,0,0,0|1,0,1]=4 1256 B14R1.5 COc1ccc(cc1)CNC(=O)CO 527a_100000185587_100000210174 [0,2,0,0,0,0|1,0,1]=4 1257 B14R1.5 COc1ccc(cc1)NNC(=O)CO 22a_100000005221_100000210174 [0,2,0,0,0,0|2,0,0]=4 1258 B14R1.5 CSc1ccc(cc1)C=CC(=O)CF 1458a_100102526083_100015361967 [0,2,0,0,0,0|1,1,0]=4 1259 B14R1.5 N#Cc1ccc(cc1)C=CC(=O)CF 1458a_100000185084_100015361967 [0,2,0,0,0,0|2,0,0]=4 1260 B14R1.5 O=C(CO)NCc1ccc(cc1)CO 240690a_100015189231_100000210174 [0,2,0,0,0,0|1,0,1]=4 1261 B14R1.5 O=C(CO)NCc1ccc(cc1)CO 527a_100015189231_100000210174 [0,2,0,0,0,0|1,0,1]=4 1262 B14R1.103 CC(O)C=Cc1ccc(cc1Cl)CO 271570a_200011019289_100000718186 [0,2,0,0,0,0|1,0,1]=4 1263 B14R1.103 CC(O)C=Cc1ccc(cc1F)CO 271570a_200011019289_100011533735 [0,2,0,0,0,0|1,0,1]=4 1264 B14R1.103 CC(O)C=Cc1ccc(cc1N)CO 271570a_200011019289_100012347568 [0,2,0,0,0,0|1,0,1]=4 1265 B14R1.103 CC(O)C=Cc1ccc(cc1O)CO 271570a_200011019289_100000049605 [0,2,0,0,0,0|1,0,1]=4 1266 B14R1.103 COc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100012349170 [0,2,0,0,0,0|1,0,1]=4 1267 B14R1.103 COc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100000759875 [0,2,0,0,0,0|1,0,1]=4 1268 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)C 1458a_200102525171_200000210301 [0,2,0,0,0,0|1,0,0]=3 1269 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)[13CH3] 1458a_200102525171_200025704644 [0,2,0,0,0,0|1,0,0]=3 1270 B14R1.103 COc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100000753793 [0,2,0,0,0,0|1,0,1]=4 1271 B14R1.103 COc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100000748021 [0,2,0,0,0,0|1,0,1]=4 1272 B14R1.103 COc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100000719091 [0,2,0,0,0,0|1,0,1]=4 1273 B14R1.103 Cc1cc(ccc1C=CC(C)O)CO 271570a_200011019289_100000718852 [0,2,0,0,0,0|1,0,1]=4 1274 B14R1.142 C=C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100015277604_200016259395 [0,2,0,0,0,0|2,0,0]=4 1275 B14R1.142 CC(=O)/C=C/c1ccc(cc1)OCF 34a_100000189429_100015361967 [0,2,0,0,0,0|1,0,0]=3 1276 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_100015361967_200016259395 [0,2,0,0,0,0|1,1,0]=4 1277 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_200016259395_100015361967 [0,2,0,0,0,0|1,1,0]=4 1278 B14R1.142 CC(O)C=Cc1ccc(cc1)CCO 271570a_200011019289_100000766406 [0,2,0,0,0,0|1,0,1]=4 1279 B14R1.142 CC=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100016259895_200016259395 [0,2,0,0,0,0|2,0,0]=4 1280 B14R1.142 CCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100000210202 [0,2,0,0,0,0|1,0,0]=3 1281 B14R1.142 CCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000210202 [0,2,0,0,0,0|1,0,1]=4 1282 B14R1.142 CCOc1ccc(cc1)C=CC(=O)C 1458a_100000690215_200000210301 [0,2,0,0,0,0|1,0,0]=3 1283 B14R1.142 CCOc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000690215_200025704644 [0,2,0,0,0,0|1,0,0]=3 1284 B14R1.142 CCOc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000169946 [0,2,0,0,0,0|1,0,1]=4 1285 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_100000210202_200016259395 [0,2,0,0,0,0|1,1,0]=4 1286 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_100000210202 [0,2,0,0,0,0|1,1,0]=4 1287 B14R1.142 CNCc1ccc(cc1)/C=C/C(=O)C 26a_100102657272_100000189429 [0,2,0,0,0,0|2,0,0]=4 1288 B14R1.142 COCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011493685 [0,2,0,0,0,0|1,0,1]=4 1289 B14R1.142 O=[N+]([O-])/C=C/c1ccc(cc1)OCF 34a_100102610870_100015361967 [0,2,0,0,0,0|1,0,1]=4 1290 B14R1.211 CC(C)(O)C=Cc1ccc(cc1)CO 271570a_200016258132_100000690907 [0,2,0,0,0,0|1,0,1]=4 1291 B14R1.211 COc1ccc(cc1)C=CC(C)(C)O 271570a_200016258132_100000171711 [0,2,0,0,0,0|1,0,1]=4 1292 B14R1.419 C=C(C)c1ccc(cc1)/C=C/C(=O)C 271570a_100000694244_200016259395 [0,2,0,0,0,0|2,0,0]=4 1293 B14R1.419 CC(=O)C=Cc1ccc(cc1)C(C)C 1458a_100000185018_200000210301 [0,2,0,0,0,0|2,0,0]=4 1294 B14R1.419 CC(=O)C=Cc1ccc(cc1)N(C)C 1458a_100016270256_200000210301 [0,2,0,0,0,0|2,0,0]=4 1295 B14R1.419 CC(=O)C=Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000182685_200000210301 [0,2,0,0,0,0|1,0,1]=4 1296 B14R1.419 CC(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000185018_200025704644 [0,2,0,0,0,0|2,0,0]=4 1297 B14R1.419 CC(O)C=Cc1ccc(cc1)B(O)O 271570a_200011019289_100000754493 [0,2,0,0,0,0|1,0,1]=4 1298 B14R1.419 CC(O)C=Cc1ccc(cc1)C(C)O 271570a_200011019289_100000745893 [0,2,0,0,0,0|1,0,1]=4 1299 B14R1.419 CN(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100016270256_200025704644 [0,2,0,0,0,0|2,0,0]=4 1300 B14R1.419 [13CH3]C(=O)C=Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000182685_200025704644 [0,2,0,0,0,0|1,0,1]=4 1301 B14R1.3653 CC(O)C=Cc1ccc(c(c1)Br)CO 271570a_200011019289_100010240206 [0,2,0,0,0,0|1,0,1]=4 1302 B14R1.3653 CC(O)C=Cc1ccc(c(c1)F)CO 271570a_200011019289_100011191541 [0,2,0,0,0,0|1,0,1]=4 1303 B14R1.3653 CC(O)C=Cc1ccc(c(c1)N)CO 271570a_200011019289_100000718831 [0,2,0,0,0,0|1,0,1]=4 1304 B14R1.3653 CC(O)C=Cc1ccc(c(c1)O)CO 271570a_200011019289_100000071718 [0,2,0,0,0,0|1,0,1]=4 1305 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)C 1458a_200000186738_200000210301 [0,2,0,0,0,0|1,0,0]=3 1306 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)[13CH3] 1458a_200000186738_200025704644 [0,2,0,0,0,0|1,0,0]=3 1307 B14R1.3653 COc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011249507 [0,2,0,0,0,0|1,0,1]=4 1308 B14R1.3653 COc1ccc(cc1C)C=CC(=O)C 1458a_100116352456_200000210301 [0,2,0,0,0,0|1,0,0]=3 1309 B14R1.3653 COc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100116352456_200025704644 [0,2,0,0,0,0|1,0,0]=3 1310 B14R1.3653 COc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011219705 [0,2,0,0,0,0|1,0,1]=4 1311 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)C 1458a_100000735007_200000210301 [0,2,0,0,0,0|1,0,0]=3 1312 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)[13CH3] 1458a_100000735007_200025704644 [0,2,0,0,0,0|1,0,0]=3 1313 B14R1.3653 COc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100012355395 [0,2,0,0,0,0|1,0,1]=4 1314 B14R1.3653 COc1ccc(cc1F)C=CC(=O)C 1458a_100102526129_200000210301 [0,2,0,0,0,0|1,0,0]=3 1315 B14R1.3653 COc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526129_200025704644 [0,2,0,0,0,0|1,0,0]=3 1316 B14R1.3653 COc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000185480 [0,2,0,0,0,0|1,0,1]=4 1317 B14R1.3653 COc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000743470 [0,2,0,0,0,0|1,0,1]=4 1318 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [0,2,0,0,0,0|1,0,0]=3 1319 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [0,2,0,0,0,0|1,0,0]=3 1320 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [0,2,0,0,0,0|1,0,0]=3 1321 B14R1.3653 COc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100009816560 [0,2,0,0,0,0|1,0,1]=4 1322 B14R1.3653 Cc1cc(ccc1CO)C=CC(C)O 271570a_200011019289_100000748258 [0,2,0,0,0,0|1,0,1]=4 1323 B14R1.10 C#CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000211873_100009814261 [0,2,0,0,0,0|1,0,1]=4 1324 B14R1.10 C=CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000185746_100009814261 [0,2,0,0,0,0|1,0,1]=4 1325 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210414_100009814261 [0,2,0,0,0,0|1,0,1]=4 1326 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747405 [0,2,0,0,0,0|1,0,1]=4 1327 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183359 [0,2,0,0,0,0|1,0,1]=4 1328 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747449 [0,2,0,0,0,0|1,0,1]=4 1329 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747449 [0,2,0,0,0,0|1,0,1]=4 1330 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747449 [0,2,0,0,0,0|1,0,1]=4 1331 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747449 [0,2,0,0,0,0|1,0,1]=4 1332 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747449 [0,2,0,0,0,0|1,0,1]=4 1333 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747449 [0,2,0,0,0,0|0,0,1]=3 1334 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100014373347 [0,2,0,0,0,0|0,0,1]=3 1335 B14R1.10 COC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000736623 [0,2,0,0,0,0|0,0,2]=4 1336 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747449 [0,2,0,0,0,0|1,0,1]=4 1337 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000747449 [0,2,0,0,0,0|1,0,1]=4 1338 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)O 240690a_100161106496_100000210174 [0,2,0,0,0,0|1,0,1]=4 1339 B14R1.10 Cc1ccc(cc1)C(=O)CC(=O)CO 1458a_100000210174_100000211441 [0,2,0,0,0,0|1,0,1]=4 1340 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)Br 1458a_100000210174_100000188085 [0,2,0,0,0,0|1,0,1]=4 1341 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)Cl 1458a_100000210174_100000211071 [0,2,0,0,0,0|1,0,1]=4 1342 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)F 1458a_100000210174_100000211279 [0,2,0,0,0,0|1,0,1]=4 1343 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)I 1458a_100000210174_100011216261 [0,2,0,0,0,0|1,0,1]=4 1344 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)O 1458a_100000210174_100009814261 [0,2,0,0,0,0|0,0,1]=3 1345 B14R1.134 C/C(=C\c1ccc(cc1)F)/C(=O)CF 1458a_100053117043_100015361967 [0,2,0,0,0,0|2,0,0]=4 1346 B14R1.134 C=C(CO)C(=O)Nc1ccc(cc1)O 22a_100000185829_200000705526 [0,2,0,0,0,0|2,0,0]=4 1347 B14R1.134 CCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000210202 [0,2,0,0,0,0|2,0,0]=4 1348 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 240690a_100000207500_100000210174 [0,2,0,0,0,0|1,0,1]=4 1349 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 527a_100000207500_100000210174 [0,2,0,0,0,0|1,0,1]=4 1350 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 11a_106832991635_100053117043 [0,2,0,0,0,0|2,0,0]=4 1351 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100102657272_100053117043 [0,2,0,0,0,0|2,0,0]=4 1352 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100102657272_100053117043 [0,2,0,0,0,0|2,0,0]=4 1353 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100102657272_100053117043 [0,2,0,0,0,0|2,0,0]=4 1354 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011218921 [0,2,0,0,0,0|2,0,0]=4 1355 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000024059 [0,2,0,0,0,0|2,0,0]=4 1356 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000024059 [0,2,0,0,0,0|2,0,0]=4 1357 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_100000024059 [0,2,0,0,0,0|2,0,0]=4 1358 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000024059 [0,2,0,0,0,0|2,0,0]=4 1359 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000024059 [0,2,0,0,0,0|2,0,0]=4 1360 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 527a_100000124888_100000024059 [0,2,0,0,0,0|2,0,0]=4 1361 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000024059 [0,2,0,0,0,0|2,0,0]=4 1362 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000024059 [0,2,0,0,0,0|2,0,0]=4 1363 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000024059 [0,2,0,0,0,0|2,0,0]=4 1364 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000024059 [0,2,0,0,0,0|2,0,0]=4 1365 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000024059 [0,2,0,0,0,0|2,0,0]=4 1366 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_100000024059 [0,2,0,0,0,0|2,0,0]=4 1367 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000024059 [0,2,0,0,0,0|2,0,0]=4 1368 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000024059 [0,2,0,0,0,0|2,0,0]=4 1369 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_100000024059 [0,2,0,0,0,0|2,0,0]=4 1370 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000211248 [0,2,0,0,0,0|1,0,1]=4 1371 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)O 62a_100000211248_100000185759 [0,2,0,0,0,0|1,0,1]=4 1372 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [0,2,0,0,0,0|0,0,2]=4 1373 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [0,2,0,0,0,0|0,0,2]=4 1374 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000184674 [0,2,0,0,0,0|2,0,0]=4 1375 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000184674 [0,2,0,0,0,0|2,0,0]=4 1376 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000184674 [0,2,0,0,0,0|2,0,0]=4 1377 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000184674 [0,2,0,0,0,0|2,0,0]=4 1378 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000184674 [0,2,0,0,0,0|2,0,0]=4 1379 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210623 [0,2,0,0,0,0|2,0,0]=4 1380 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210623 [0,2,0,0,0,0|2,0,0]=4 1381 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210623 [0,2,0,0,0,0|2,0,0]=4 1382 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210623 [0,2,0,0,0,0|2,0,0]=4 1383 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210623 [0,2,0,0,0,0|2,0,0]=4 1384 B14R1.502 C=COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000036128 [0,2,0,0,0,0|1,0,1]=4 1385 B14R1.502 C=COC(=O)CSc1ccc(cc1)O 62a_100000036128_100000185759 [0,2,0,0,0,0|1,0,1]=4 1386 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210303 [0,2,0,0,0,0|2,0,0]=4 1387 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215381 [0,2,0,0,0,0|2,0,0]=4 1388 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210303 [0,2,0,0,0,0|2,0,0]=4 1389 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210303 [0,2,0,0,0,0|2,0,0]=4 1390 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210303 [0,2,0,0,0,0|2,0,0]=4 1391 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215381 [0,2,0,0,0,0|2,0,0]=4 1392 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210303 [0,2,0,0,0,0|2,0,0]=4 1393 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215381 [0,2,0,0,0,0|2,0,0]=4 1394 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br 11a_100015525214_100016267368 [0,2,0,0,0,0|2,0,0]=4 1395 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 11a_100015525214_100000716854 [0,2,0,0,0,0|2,0,0]=4 1396 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 240690a_100015525214_100000716854 [0,2,0,0,0,0|2,0,0]=4 1397 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015525214_100000184863 [0,2,0,0,0,0|2,0,0]=4 1398 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015525214_100000184863 [0,2,0,0,0,0|2,0,0]=4 1399 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 11a_100015525214_100000182136 [0,2,0,0,0,0|2,0,0]=4 1400 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 240690a_100015525214_100000182136 [0,2,0,0,0,0|2,0,0]=4 1401 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 11a_100015525214_100102526154 [0,2,0,0,0,0|2,0,0]=4 1402 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 240690a_100015525214_100102526154 [0,2,0,0,0,0|2,0,0]=4 1403 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)O 240690a_100015525214_100016269017 [0,2,0,0,0,0|1,0,0]=3 1404 B14R1.502 CCOC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100016304033 [0,2,0,0,0,0|0,0,0]=2 1405 B14R1.502 CCOC(=O)C=Cc1cc[n+](cc1)[O-] 271570a_100010199719_100000039755 [0,2,0,0,0,0|1,0,1]=4 1406 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]c1 271570a_100010199719_100000212171 [0,2,0,0,0,0|1,0,1]=4 1407 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br 271570a_100010199719_100000752885 [0,2,0,0,0,0|1,0,0]=3 1408 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C 271570a_100010199719_100000186775 [0,2,0,0,0,0|1,0,0]=3 1409 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl 271570a_100010199719_100000755918 [0,2,0,0,0,0|1,0,0]=3 1410 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F 271570a_100010199719_100000211213 [0,2,0,0,0,0|1,0,0]=3 1411 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N 271570a_100010199719_100000185761 [0,2,0,0,0,0|1,0,0]=3 1412 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O 271570a_100010199719_100000185759 [0,2,0,0,0,0|0,0,0]=2 1413 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Br 271570a_100010199719_100000686858 [0,2,0,0,0,0|2,0,0]=4 1414 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)C 271570a_100010199719_100000754016 [0,2,0,0,0,0|2,0,0]=4 1415 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Cl 271570a_100010199719_100011356976 [0,2,0,0,0,0|2,0,0]=4 1416 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)F 271570a_100010199719_100000744514 [0,2,0,0,0,0|2,0,0]=4 1417 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)N 271570a_100010199719_100000744251 [0,2,0,0,0,0|2,0,0]=4 1418 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)O 271570a_100010199719_100000685995 [0,2,0,0,0,0|1,0,0]=3 1419 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Br 271570a_100010199719_100009814638 [0,2,0,0,0,0|2,0,0]=4 1420 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)C 271570a_100010199719_100000751577 [0,2,0,0,0,0|2,0,0]=4 1421 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl 271570a_100010199719_100000034144 [0,2,0,0,0,0|2,0,0]=4 1422 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)F 271570a_100010199719_100000748661 [0,2,0,0,0,0|2,0,0]=4 1423 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)N 271570a_100010199719_100000187370 [0,2,0,0,0,0|2,0,0]=4 1424 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)O 271570a_100010199719_100000730009 [0,2,0,0,0,0|2,0,0]=4 1425 B14R1.502 CCOC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012353604 [0,2,0,0,0,0|0,0,2]=4 1426 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 271570a_203496583355_200000220479 [0,2,0,0,0,0|1,0,1]=4 1427 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000188475 [0,2,0,0,0,0|1,0,1]=4 1428 B14R1.502 CCOC(=O)COc1ccc(cc1)O 271570a_203496583355_100000170664 [0,2,0,0,0,0|1,0,1]=4 1429 B14R1.502 CCOC(=O)CSc1ccc(cc1)O 62a_100000188475_100000185759 [0,2,0,0,0,0|1,0,1]=4 1430 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Br 22a_100016993582_100016267368 [0,2,0,0,0,0|2,0,0]=4 1431 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)C 22a_100016993582_100000716854 [0,2,0,0,0,0|2,0,0]=4 1432 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Cl 22a_100016993582_100000184863 [0,2,0,0,0,0|2,0,0]=4 1433 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)F 22a_100016993582_100000182136 [0,2,0,0,0,0|2,0,0]=4 1434 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)I 22a_100016993582_100102526154 [0,2,0,0,0,0|2,0,0]=4 1435 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)O 22a_100016993582_100016269017 [0,2,0,0,0,0|1,0,0]=3 1436 B14R1.502 COCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211753 [0,2,0,0,0,0|1,0,0]=3 1437 B14R1.502 COCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211753 [0,2,0,0,0,0|1,0,0]=3 1438 B14R1.502 COCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211753 [0,2,0,0,0,0|1,0,0]=3 1439 B14R1.502 COCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211753 [0,2,0,0,0,0|2,0,0]=4 1440 B14R1.502 COCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211753 [0,2,0,0,0,0|2,0,0]=4 1441 B14R1.502 COCC(=O)CCc1ccc(cc1)O 1458a_100000210968_100009816426 [0,2,0,0,0,0|0,0,2]=4 1442 B14R1.502 COCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210968 [0,2,0,0,0,0|1,0,1]=4 1443 B14R1.502 COCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210968 [0,2,0,0,0,0|1,0,1]=4 1444 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011216314 [0,2,0,0,0,0|1,1,0]=4 1445 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011216314 [0,2,0,0,0,0|1,1,0]=4 1446 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011216314 [0,2,0,0,0,0|1,1,0]=4 1447 B14R1.502 Cc1ccc(cc1)C=CC(=O)CC#N 1458a_100000716854_100011214920 [0,2,0,0,0,0|2,0,0]=4 1448 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCF 1458a_100000716854_100011217306 [0,2,0,0,0,0|2,0,0]=4 1449 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCO 1458a_100000716854_100000211926 [0,2,0,0,0,0|1,0,0]=3 1450 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214920 [0,2,0,0,0,0|2,0,0]=4 1451 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000184835 [0,2,0,0,0,0|2,0,0]=4 1452 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214920 [0,2,0,0,0,0|2,0,0]=4 1453 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214920 [0,2,0,0,0,0|2,0,0]=4 1454 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000184835 [0,2,0,0,0,0|2,0,0]=4 1455 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214920 [0,2,0,0,0,0|2,0,0]=4 1456 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000184835 [0,2,0,0,0,0|2,0,0]=4 1457 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCBr 6a_100000186029_100011261029 [0,2,0,0,0,0|2,0,0]=4 1458 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCCl 6a_100000186029_100000053229 [0,2,0,0,0,0|2,0,0]=4 1459 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCF 1458a_100016267368_100011217306 [0,2,0,0,0,0|2,0,0]=4 1460 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCO 1458a_100016267368_100000211926 [0,2,0,0,0,0|1,0,0]=3 1461 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCF 1458a_100000184863_100011217306 [0,2,0,0,0,0|2,0,0]=4 1462 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCO 1458a_100000184863_100000211926 [0,2,0,0,0,0|1,0,0]=3 1463 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCBr 6a_100000210084_100011261029 [0,2,0,0,0,0|2,0,0]=4 1464 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCCl 6a_100000210084_100000053229 [0,2,0,0,0,0|2,0,0]=4 1465 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCF 1458a_100000182136_100011217306 [0,2,0,0,0,0|2,0,0]=4 1466 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCO 1458a_100000182136_100000211926 [0,2,0,0,0,0|1,0,0]=3 1467 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCBr 6a_100000188517_100011261029 [0,2,0,0,0,0|2,0,0]=4 1468 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCCl 6a_100000188517_100000053229 [0,2,0,0,0,0|2,0,0]=4 1469 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCF 1458a_100102526154_100011217306 [0,2,0,0,0,0|2,0,0]=4 1470 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCO 1458a_100102526154_100000211926 [0,2,0,0,0,0|1,0,0]=3 1471 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCO 1458a_100020630499_100000211926 [0,2,0,0,0,0|2,0,0]=4 1472 B14R1.502 O=C(C=Cc1ccc(nc1)Br)CCO 1458a_100020588214_100000211926 [0,2,0,0,0,0|2,0,0]=4 1473 B14R1.502 O=C(CCO)CCc1ccc(cc1)O 1458a_100000742835_100000211926 [0,2,0,0,0,0|0,0,2]=4 1474 B14R1.502 O=C(CCO)CCc1ccc(cc1)O 1458a_100011216618_100009816426 [0,2,0,0,0,0|0,0,2]=4 1475 B14R1.502 O=C(CCO)COc1ccc(cc1)O 1458a_100000031633_100000211926 [0,2,0,0,0,0|1,0,1]=4 1476 B14R1.502 O=C(CCO)NCc1ccc(cc1)O 240690a_100000185549_100011216618 [0,2,0,0,0,0|1,0,1]=4 1477 B14R1.502 O=C(CNc1ccc(cc1)O)NCO 34a_100000185829_100000185155 [0,2,0,0,0,0|1,0,1]=4 1478 B14R1.502 O=C(CSc1ccc(cc1)O)NCO 62a_100000185155_100000185759 [0,2,0,0,0,0|1,0,1]=4 1479 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210202 [0,2,0,0,0,0|2,0,0]=4 1480 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000211110 [0,2,0,0,0,0|2,0,0]=4 1481 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210202 [0,2,0,0,0,0|2,0,0]=4 1482 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210202 [0,2,0,0,0,0|2,0,0]=4 1483 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210202 [0,2,0,0,0,0|2,0,0]=4 1484 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000211110 [0,2,0,0,0,0|2,0,0]=4 1485 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210202 [0,2,0,0,0,0|2,0,0]=4 1486 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000211110 [0,2,0,0,0,0|2,0,0]=4 1487 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000211110 [0,2,0,0,0,0|2,0,0]=4 1488 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210202 [0,2,0,0,0,0|2,0,0]=4 1489 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210202 [0,2,0,0,0,0|2,0,0]=4 1490 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000211110 [0,2,0,0,0,0|2,0,0]=4 1491 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000211110 [0,2,0,0,0,0|2,0,0]=4 1492 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000211110 [0,2,0,0,0,0|2,0,0]=4 1493 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000211110 [0,2,0,0,0,0|2,0,0]=4 1494 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000211110 [0,2,0,0,0,0|2,0,0]=4 1495 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000211110 [0,2,0,0,0,0|1,0,0]=3 1496 B14R1.727 CCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000211110 [0,2,0,0,0,0|2,0,0]=4 1497 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 11a_106832991635_200102591336 [0,2,0,0,0,0|2,0,0]=4 1498 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 1626a_100102657272_200102591336 [0,2,0,0,0,0|2,0,0]=4 1499 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 240690a_100102657272_200102591336 [0,2,0,0,0,0|2,0,0]=4 1500 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 11a_106832991635_100000238256 [0,2,0,0,0,0|2,0,0]=4 1501 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 1626a_100102657272_100000238256 [0,2,0,0,0,0|2,0,0]=4 1502 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 11a_106832991635_100016280397 [0,2,0,0,0,0|2,0,0]=4 1503 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 1626a_100102657272_100016280397 [0,2,0,0,0,0|2,0,0]=4 1504 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 11a_106832991635_100102525105 [0,2,0,0,0,0|2,0,0]=4 1505 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100102657272_100102525105 [0,2,0,0,0,0|2,0,0]=4 1506 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100102657272_100102525105 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_106832991635_100016270030 [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100102657272_100016270030 [0,2,0,0,0,0|2,0,0]=4 1509 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100102657272_100016270030 [0,2,0,0,0,0|2,0,0]=4 1510 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 11a_106832991635_200102525072 [0,2,0,0,0,0|2,0,0]=4 1511 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100102657272_200102525072 [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100102657272_200102525072 [0,2,0,0,0,0|2,0,0]=4 1513 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 11a_106832991635_100011214948 [0,2,0,0,0,0|2,0,0]=4 1514 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 1626a_100102657272_100011214948 [0,2,0,0,0,0|2,0,0]=4 1515 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 240690a_100102657272_100011214948 [0,2,0,0,0,0|2,0,0]=4 1516 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 11a_106832991635_100102561868 [0,2,0,0,0,0|2,0,0]=4 1517 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100102657272_100102561868 [0,2,0,0,0,0|2,0,0]=4 1518 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100102657272_100102561868 [0,2,0,0,0,0|2,0,0]=4 1519 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 11a_106832991635_100011195072 [0,2,0,0,0,0|2,0,0]=4 1520 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 1626a_100102657272_100011195072 [0,2,0,0,0,0|2,0,0]=4 1521 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 240690a_100102657272_100011195072 [0,2,0,0,0,0|2,0,0]=4 1522 B14R1.727 COC(=O)/C=C/c1ccc(cc1F)O 271570a_203496583355_100102763825 [0,2,0,0,0,0|0,0,0]=2 1523 B14R1.727 COC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000747449 [0,2,0,0,0,0|1,0,1]=4 1524 B14R1.727 COC(=O)CNc1ccc(cc1C)O 34a_100000756630_100000747449 [0,2,0,0,0,0|1,0,1]=4 1525 B14R1.727 COC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000747449 [0,2,0,0,0,0|1,0,1]=4 1526 B14R1.727 COC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000747449 [0,2,0,0,0,0|1,0,1]=4 1527 B14R1.727 COC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000747449 [0,2,0,0,0,0|1,0,1]=4 1528 B14R1.727 COC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000747449 [0,2,0,0,0,0|1,0,1]=4 1529 B14R1.727 COC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000747449 [0,2,0,0,0,0|1,0,1]=4 1530 B14R1.727 COC(=O)CSc1ccc(cc1Br)O 62a_100000747449_100000701344 [0,2,0,0,0,0|1,0,1]=4 1531 B14R1.727 COC(=O)CSc1ccc(cc1C)O 62a_100000747449_100000690111 [0,2,0,0,0,0|1,0,1]=4 1532 B14R1.727 COC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000747449 [0,2,0,0,0,0|1,0,1]=4 1533 B14R1.727 COC(=O)CSc1ccc(cc1Cl)O 62a_100000747449_100000047559 [0,2,0,0,0,0|1,0,1]=4 1534 B14R1.727 COC(=O)CSc1ccc(cc1F)O 62a_100000747449_100000755031 [0,2,0,0,0,0|1,0,1]=4 1535 B14R1.727 COC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000747449 [0,2,0,0,0,0|1,0,1]=4 1536 B14R1.727 COC(=O)CSc1ccc(cc1N)O 62a_100000747449_100011999798 [0,2,0,0,0,0|1,0,1]=4 1537 B14R1.727 COC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000747449 [0,2,0,0,0,0|1,0,1]=4 1538 B14R1.727 COC(=O)CSc1ccc(cc1O)O 62a_100000747449_100009813921 [0,2,0,0,0,0|1,0,1]=4 1539 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CBr 6a_100011217368_100009888967 [0,2,0,0,0,0|2,0,0]=4 1540 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CCl 6a_100011217368_100000086384 [0,2,0,0,0,0|2,0,0]=4 1541 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CF 6a_100011217368_100000764096 [0,2,0,0,0,0|2,0,0]=4 1542 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CBr 6a_100010150104_100009888967 [0,2,0,0,0,0|2,0,0]=4 1543 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CCl 6a_100010150104_100000086384 [0,2,0,0,0,0|2,0,0]=4 1544 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CF 6a_100010150104_100000764096 [0,2,0,0,0,0|2,0,0]=4 1545 B14R1.727 O=C(C=Cc1ccc(cc1Br)F)CF 1458a_200102591336_100015361967 [0,2,0,0,0,0|2,0,0]=4 1546 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CBr 6a_100010185650_100009888967 [0,2,0,0,0,0|2,0,0]=4 1547 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CCl 6a_100010185650_100000086384 [0,2,0,0,0,0|2,0,0]=4 1548 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CF 6a_100010185650_100000764096 [0,2,0,0,0,0|2,0,0]=4 1549 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Br)CF 1458a_100102525105_100015361967 [0,2,0,0,0,0|2,0,0]=4 1550 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Cl)CF 1458a_100016270030_100015361967 [0,2,0,0,0,0|2,0,0]=4 1551 B14R1.727 O=C(C=Cc1ccc(cc1Cl)F)CF 1458a_200102525072_100015361967 [0,2,0,0,0,0|2,0,0]=4 1552 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CBr 6a_100000727542_100009888967 [0,2,0,0,0,0|2,0,0]=4 1553 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CCl 6a_100000727542_100000086384 [0,2,0,0,0,0|2,0,0]=4 1554 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CF 6a_100000727542_100000764096 [0,2,0,0,0,0|2,0,0]=4 1555 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CBr 6a_100000211676_100009888967 [0,2,0,0,0,0|2,0,0]=4 1556 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CCl 6a_100000211676_100000086384 [0,2,0,0,0,0|2,0,0]=4 1557 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 1458a_100011214948_100015361967 [0,2,0,0,0,0|2,0,0]=4 1558 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 6a_100000211676_100000764096 [0,2,0,0,0,0|2,0,0]=4 1559 B14R1.727 O=C(C=Cc1ccc(cc1F)Cl)CF 1458a_100102561868_100015361967 [0,2,0,0,0,0|2,0,0]=4 1560 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CBr 6a_100000211964_100009888967 [0,2,0,0,0,0|2,0,0]=4 1561 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CCl 6a_100000211964_100000086384 [0,2,0,0,0,0|2,0,0]=4 1562 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 1458a_100011195072_100015361967 [0,2,0,0,0,0|2,0,0]=4 1563 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 6a_100000211964_100000764096 [0,2,0,0,0,0|2,0,0]=4 1564 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CBr 6a_100000050965_100009888967 [0,2,0,0,0,0|2,0,0]=4 1565 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CCl 6a_100000050965_100000086384 [0,2,0,0,0,0|2,0,0]=4 1566 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CF 6a_100000050965_100000764096 [0,2,0,0,0,0|2,0,0]=4 1567 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CBr 6a_100010146562_100009888967 [0,2,0,0,0,0|2,0,0]=4 1568 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CCl 6a_100010146562_100000086384 [0,2,0,0,0,0|2,0,0]=4 1569 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CF 6a_100010146562_100000764096 [0,2,0,0,0,0|2,0,0]=4 1570 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CBr 6a_100010254405_100009888967 [0,2,0,0,0,0|2,0,0]=4 1571 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CCl 6a_100010254405_100000086384 [0,2,0,0,0,0|2,0,0]=4 1572 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CF 6a_100010254405_100000764096 [0,2,0,0,0,0|2,0,0]=4 1573 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CBr 6a_100000051608_100009888967 [0,2,0,0,0,0|1,0,0]=3 1574 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CCl 6a_100000051608_100000086384 [0,2,0,0,0,0|1,0,0]=3 1575 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CF 6a_100000051608_100000764096 [0,2,0,0,0,0|1,0,0]=3 1576 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CBr 6a_100000050530_100009888967 [0,2,0,0,0,0|2,0,0]=4 1577 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CCl 6a_100000050530_100000086384 [0,2,0,0,0,0|2,0,0]=4 1578 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CF 6a_100000050530_100000764096 [0,2,0,0,0,0|2,0,0]=4 1579 B14R1.727 O=C(CO)NCc1ccc(cc1Cl)O 240690a_200161156549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1580 B14R1.727 O=C(CO)NCc1ccc(cc1Cl)O 527a_200161156549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1581 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000210202 [0,2,0,0,0,0|2,0,0]=4 1582 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000211110 [0,2,0,0,0,0|2,0,0]=4 1583 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000210202 [0,2,0,0,0,0|2,0,0]=4 1584 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000211110 [0,2,0,0,0,0|2,0,0]=4 1585 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210202 [0,2,0,0,0,0|1,0,0]=3 1586 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210202 [0,2,0,0,0,0|2,0,0]=4 1587 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000211110 [0,2,0,0,0,0|2,0,0]=4 1588 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000211110 [0,2,0,0,0,0|2,0,0]=4 1589 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000210202 [0,2,0,0,0,0|2,0,0]=4 1590 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000211110 [0,2,0,0,0,0|2,0,0]=4 1591 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000211110 [0,2,0,0,0,0|2,0,0]=4 1592 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000210202 [0,2,0,0,0,0|2,0,0]=4 1593 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000211110 [0,2,0,0,0,0|2,0,0]=4 1594 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000210202 [0,2,0,0,0,0|2,0,0]=4 1595 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000211110 [0,2,0,0,0,0|2,0,0]=4 1596 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210202 [0,2,0,0,0,0|1,0,0]=3 1597 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000211110 [0,2,0,0,0,0|1,0,0]=3 1598 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000210202 [0,2,0,0,0,0|2,0,0]=4 1599 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000211110 [0,2,0,0,0,0|2,0,0]=4 1600 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000210202 [0,2,0,0,0,0|2,0,0]=4 1601 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000211110 [0,2,0,0,0,0|2,0,0]=4 1602 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000210202 [0,2,0,0,0,0|2,0,0]=4 1603 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000211110 [0,2,0,0,0,0|2,0,0]=4 1604 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000210202 [0,2,0,0,0,0|2,0,0]=4 1605 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000211110 [0,2,0,0,0,0|2,0,0]=4 1606 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000211110 [0,2,0,0,0,0|2,0,0]=4 1607 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000211110 [0,2,0,0,0,0|1,0,0]=3 1608 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000211110 [0,2,0,0,0,0|2,0,0]=4 1609 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000211110 [0,2,0,0,0,0|2,0,0]=4 1610 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000211110 [0,2,0,0,0,0|2,0,0]=4 1611 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000211110 [0,2,0,0,0,0|2,0,0]=4 1612 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000211110 [0,2,0,0,0,0|1,0,0]=3 1613 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000211110 [0,2,0,0,0,0|2,0,0]=4 1614 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000211110 [0,2,0,0,0,0|2,0,0]=4 1615 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000211110 [0,2,0,0,0,0|2,0,0]=4 1616 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_106832991635_100102889548 [0,2,0,0,0,0|2,0,0]=4 1617 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100102657272_100102889548 [0,2,0,0,0,0|2,0,0]=4 1618 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100102889548 [0,2,0,0,0,0|2,0,0]=4 1619 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 11a_106832991635_100011195070 [0,2,0,0,0,0|2,0,0]=4 1620 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100102657272_100011195070 [0,2,0,0,0,0|2,0,0]=4 1621 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100102657272_100011195070 [0,2,0,0,0,0|2,0,0]=4 1622 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100102657272_200103079279 [0,2,0,0,0,0|1,0,0]=3 1623 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 11a_106832991635_100011338269 [0,2,0,0,0,0|2,0,0]=4 1624 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100102657272_100011338269 [0,2,0,0,0,0|2,0,0]=4 1625 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100102657272_100011338269 [0,2,0,0,0,0|2,0,0]=4 1626 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 11a_106832991635_100016261966 [0,2,0,0,0,0|2,0,0]=4 1627 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100102657272_100016261966 [0,2,0,0,0,0|2,0,0]=4 1628 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100102657272_100016261966 [0,2,0,0,0,0|2,0,0]=4 1629 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000716972 [0,2,0,0,0,0|2,0,0]=4 1630 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100102657272_100000716972 [0,2,0,0,0,0|2,0,0]=4 1631 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000716972 [0,2,0,0,0,0|2,0,0]=4 1632 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_106832991635_100102525453 [0,2,0,0,0,0|2,0,0]=4 1633 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100102657272_100102525453 [0,2,0,0,0,0|2,0,0]=4 1634 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100102657272_100102525453 [0,2,0,0,0,0|2,0,0]=4 1635 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100102657272_200103117615 [0,2,0,0,0,0|1,0,0]=3 1636 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 11a_106832991635_100102601611 [0,2,0,0,0,0|2,0,0]=4 1637 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100102657272_100102601611 [0,2,0,0,0,0|2,0,0]=4 1638 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100102657272_100102601611 [0,2,0,0,0,0|2,0,0]=4 1639 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 11a_106832991635_100102526211 [0,2,0,0,0,0|2,0,0]=4 1640 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100102657272_100102526211 [0,2,0,0,0,0|2,0,0]=4 1641 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100102657272_100102526211 [0,2,0,0,0,0|2,0,0]=4 1642 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_106832991635_100020610926 [0,2,0,0,0,0|2,0,0]=4 1643 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100102657272_100020610926 [0,2,0,0,0,0|2,0,0]=4 1644 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100102657272_100020610926 [0,2,0,0,0,0|2,0,0]=4 1645 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 11a_106832991635_100011195075 [0,2,0,0,0,0|2,0,0]=4 1646 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100102657272_100011195075 [0,2,0,0,0,0|2,0,0]=4 1647 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100102657272_100011195075 [0,2,0,0,0,0|2,0,0]=4 1648 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100102657272_100011195073 [0,2,0,0,0,0|1,0,0]=3 1649 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000747449 [0,2,0,0,0,0|1,0,1]=4 1650 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000747449 [0,2,0,0,0,0|1,0,1]=4 1651 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000747449 [0,2,0,0,0,0|1,0,1]=4 1652 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000747449 [0,2,0,0,0,0|1,0,1]=4 1653 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000747449 [0,2,0,0,0,0|1,0,1]=4 1654 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000747449 [0,2,0,0,0,0|1,0,1]=4 1655 B14R1.833 COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000747449 [0,2,0,0,0,0|1,0,1]=4 1656 B14R1.833 COC(=O)COc1ccc(c(c1)N)O 271570a_203496583355_200010369463 [0,2,0,0,0,0|1,0,1]=4 1657 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100000747449_100012361655 [0,2,0,0,0,0|1,0,1]=4 1658 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747449 [0,2,0,0,0,0|1,0,1]=4 1659 B14R1.833 COC(=O)CSc1ccc(c(c1)C)O 62a_100000747449_100000186361 [0,2,0,0,0,0|1,0,1]=4 1660 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747449_100012360047 [0,2,0,0,0,0|1,0,1]=4 1661 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747449 [0,2,0,0,0,0|1,0,1]=4 1662 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747449 [0,2,0,0,0,0|1,0,1]=4 1663 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000747449_100000185481 [0,2,0,0,0,0|1,0,1]=4 1664 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000747449_100000752626 [0,2,0,0,0,0|1,0,1]=4 1665 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747449 [0,2,0,0,0,0|1,0,1]=4 1666 B14R1.833 COC(=O)CSc1ccc(c(c1)O)O 62a_100000747449_100009813601 [0,2,0,0,0,0|1,0,1]=4 1667 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CBr 6a_100000698814_100009888967 [0,2,0,0,0,0|2,0,0]=4 1668 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CCl 6a_100000698814_100000086384 [0,2,0,0,0,0|2,0,0]=4 1669 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CF 6a_100000698814_100000764096 [0,2,0,0,0,0|2,0,0]=4 1670 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CBr 6a_100000748208_100009888967 [0,2,0,0,0,0|2,0,0]=4 1671 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CCl 6a_100000748208_100000086384 [0,2,0,0,0,0|2,0,0]=4 1672 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 1458a_100016261966_100015361967 [0,2,0,0,0,0|2,0,0]=4 1673 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 6a_100000748208_100000764096 [0,2,0,0,0,0|2,0,0]=4 1674 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CBr 6a_100000229942_100009888967 [0,2,0,0,0,0|2,0,0]=4 1675 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CCl 6a_100000229942_100000086384 [0,2,0,0,0,0|2,0,0]=4 1676 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 1458a_100011338269_100015361967 [0,2,0,0,0,0|2,0,0]=4 1677 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 6a_100000229942_100000764096 [0,2,0,0,0,0|2,0,0]=4 1678 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CBr 6a_100000760539_100009888967 [0,2,0,0,0,0|2,0,0]=4 1679 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CCl 6a_100000760539_100000086384 [0,2,0,0,0,0|2,0,0]=4 1680 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CF 6a_100000760539_100000764096 [0,2,0,0,0,0|2,0,0]=4 1681 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CBr 6a_100000753222_100009888967 [0,2,0,0,0,0|2,0,0]=4 1682 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CCl 6a_100000753222_100000086384 [0,2,0,0,0,0|2,0,0]=4 1683 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 1458a_100102526211_100015361967 [0,2,0,0,0,0|2,0,0]=4 1684 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 6a_100000753222_100000764096 [0,2,0,0,0,0|2,0,0]=4 1685 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CBr 6a_100010197721_100009888967 [0,2,0,0,0,0|2,0,0]=4 1686 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CCl 6a_100010197721_100000086384 [0,2,0,0,0,0|2,0,0]=4 1687 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CF 6a_100010197721_100000764096 [0,2,0,0,0,0|2,0,0]=4 1688 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CBr 6a_100000693810_100009888967 [0,2,0,0,0,0|2,0,0]=4 1689 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CCl 6a_100000693810_100000086384 [0,2,0,0,0,0|2,0,0]=4 1690 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CF 1458a_100102889548_100015361967 [0,2,0,0,0,0|2,0,0]=4 1691 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CF 6a_100000693810_100000764096 [0,2,0,0,0,0|2,0,0]=4 1692 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CBr 6a_100000211747_100009888967 [0,2,0,0,0,0|2,0,0]=4 1693 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CCl 6a_100000211747_100000086384 [0,2,0,0,0,0|2,0,0]=4 1694 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CF 1458a_100011195070_100015361967 [0,2,0,0,0,0|2,0,0]=4 1695 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CF 6a_100000211747_100000764096 [0,2,0,0,0,0|2,0,0]=4 1696 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)O)CF 1458a_200103079279_100015361967 [0,2,0,0,0,0|1,0,0]=3 1697 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CBr 6a_100000188533_100009888967 [0,2,0,0,0,0|2,0,0]=4 1698 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCl 6a_100000188533_100000086384 [0,2,0,0,0,0|2,0,0]=4 1699 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CF 1458a_100000716972_100015361967 [0,2,0,0,0,0|2,0,0]=4 1700 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CF 6a_100000188533_100000764096 [0,2,0,0,0,0|2,0,0]=4 1701 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CBr 6a_100000742290_100009888967 [0,2,0,0,0,0|2,0,0]=4 1702 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CCl 6a_100000742290_100000086384 [0,2,0,0,0,0|2,0,0]=4 1703 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CF 1458a_100102525453_100015361967 [0,2,0,0,0,0|2,0,0]=4 1704 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CF 6a_100000742290_100000764096 [0,2,0,0,0,0|2,0,0]=4 1705 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CBr 6a_100000186751_100009888967 [0,2,0,0,0,0|1,0,0]=3 1706 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CCl 6a_100000186751_100000086384 [0,2,0,0,0,0|1,0,0]=3 1707 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 1458a_200103117615_100015361967 [0,2,0,0,0,0|1,0,0]=3 1708 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 6a_100000186751_100000764096 [0,2,0,0,0,0|1,0,0]=3 1709 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CBr 6a_100000686674_100009888967 [0,2,0,0,0,0|2,0,0]=4 1710 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CCl 6a_100000686674_100000086384 [0,2,0,0,0,0|2,0,0]=4 1711 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CF 1458a_100102601611_100015361967 [0,2,0,0,0,0|2,0,0]=4 1712 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CF 6a_100000686674_100000764096 [0,2,0,0,0,0|2,0,0]=4 1713 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CBr 6a_100000745630_100009888967 [0,2,0,0,0,0|2,0,0]=4 1714 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CCl 6a_100000745630_100000086384 [0,2,0,0,0,0|2,0,0]=4 1715 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CF 1458a_100020610926_100015361967 [0,2,0,0,0,0|2,0,0]=4 1716 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CF 6a_100000745630_100000764096 [0,2,0,0,0,0|2,0,0]=4 1717 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CBr 6a_100000211062_100009888967 [0,2,0,0,0,0|2,0,0]=4 1718 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CCl 6a_100000211062_100000086384 [0,2,0,0,0,0|2,0,0]=4 1719 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CF 1458a_100011195075_100015361967 [0,2,0,0,0,0|2,0,0]=4 1720 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CF 6a_100000211062_100000764096 [0,2,0,0,0,0|2,0,0]=4 1721 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CBr 6a_100000050832_100009888967 [0,2,0,0,0,0|2,0,0]=4 1722 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CCl 6a_100000050832_100000086384 [0,2,0,0,0,0|2,0,0]=4 1723 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CF 6a_100000050832_100000764096 [0,2,0,0,0,0|2,0,0]=4 1724 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CBr 6a_100000742332_100009888967 [0,2,0,0,0,0|1,0,0]=3 1725 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CCl 6a_100000742332_100000086384 [0,2,0,0,0,0|1,0,0]=3 1726 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CF 6a_100000742332_100000764096 [0,2,0,0,0,0|1,0,0]=3 1727 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CBr 6a_100010146563_100009888967 [0,2,0,0,0,0|2,0,0]=4 1728 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CCl 6a_100010146563_100000086384 [0,2,0,0,0,0|2,0,0]=4 1729 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CF 6a_100010146563_100000764096 [0,2,0,0,0,0|2,0,0]=4 1730 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CBr 6a_100010209939_100009888967 [0,2,0,0,0,0|2,0,0]=4 1731 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CCl 6a_100010209939_100000086384 [0,2,0,0,0,0|2,0,0]=4 1732 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CF 6a_100010209939_100000764096 [0,2,0,0,0,0|2,0,0]=4 1733 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CBr 6a_100010188209_100009888967 [0,2,0,0,0,0|2,0,0]=4 1734 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CCl 6a_100010188209_100000086384 [0,2,0,0,0,0|2,0,0]=4 1735 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CF 6a_100010188209_100000764096 [0,2,0,0,0,0|2,0,0]=4 1736 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CBr 6a_100000186752_100009888967 [0,2,0,0,0,0|1,0,0]=3 1737 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CCl 6a_100000186752_100000086384 [0,2,0,0,0,0|1,0,0]=3 1738 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CF 6a_100000186752_100000764096 [0,2,0,0,0,0|1,0,0]=3 1739 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CBr 6a_100009876013_100009888967 [0,2,0,0,0,0|2,0,0]=4 1740 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CCl 6a_100009876013_100000086384 [0,2,0,0,0,0|2,0,0]=4 1741 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CF 6a_100009876013_100000764096 [0,2,0,0,0,0|2,0,0]=4 1742 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CBr 6a_100000102368_100009888967 [0,2,0,0,0,0|2,0,0]=4 1743 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CCl 6a_100000102368_100000086384 [0,2,0,0,0,0|2,0,0]=4 1744 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CF 6a_100000102368_100000764096 [0,2,0,0,0,0|2,0,0]=4 1745 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CBr 6a_100000041418_100009888967 [0,2,0,0,0,0|2,0,0]=4 1746 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CCl 6a_100000041418_100000086384 [0,2,0,0,0,0|2,0,0]=4 1747 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CF 6a_100000041418_100000764096 [0,2,0,0,0,0|2,0,0]=4 1748 B14R1.833 O=C(CO)CCc1ccc(c(c1)O)O 1458a_100000210174_200010393615 [0,2,0,0,0,0|0,0,2]=4 1749 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 240690a_100000758358_100000210174 [0,2,0,0,0,0|1,0,1]=4 1750 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 527a_100000758358_100000210174 [0,2,0,0,0,0|1,0,1]=4 1751 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210174 [0,2,0,0,0,0|1,0,1]=4 1752 B14R1.132 CC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000070787_200010205864 [0,2,0,0,0,0|1,0,1]=4 1753 B14R1.132 CC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000179758 [0,2,0,0,0,0|1,0,1]=4 1754 B14R1.132 CC(C(=O)N)C(=O)c1ccc(cc1)O 1458a_100000212099_100000702099 [0,2,0,0,0,0|1,0,1]=4 1755 B14R1.132 CN(C(=O)C(=O)N)c1ccc(cc1)O 22a_100000182112_100011215815 [0,2,0,0,0,0|2,0,0]=4 1756 B14R1.132 NC(=O)C(F)C(=O)c1ccc(cc1)O 1458a_100000212099_100009813875 [0,2,0,0,0,0|1,0,1]=4 1757 B14R1.132 O=C([O-])C(F)C(=O)c1ccc(cc1)O 1458a_100000212099_100020610796 [0,2,0,0,0,0|0,0,2]=4 1758 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000070787_200010170092 [0,2,0,0,0,0|1,0,1]=4 1759 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000070787_100000183813 [0,2,0,0,0,0|1,0,1]=4 1760 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000685612_100000187820 [0,2,0,0,0,0|1,0,1]=4 1761 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000685612_100020667443 [0,2,0,0,0,0|0,0,2]=4 1762 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000187820 [0,2,0,0,0,0|1,0,1]=4 1763 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000187820 [0,2,0,0,0,0|1,0,1]=4 1764 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000187820 [0,2,0,0,0,0|1,0,1]=4 1765 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000187820 [0,2,0,0,0,0|1,0,1]=4 1766 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000187820 [0,2,0,0,0,0|1,0,1]=4 1767 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100020667443 [0,2,0,0,0,0|0,0,2]=4 1768 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100020667443 [0,2,0,0,0,0|0,0,2]=4 1769 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100020667443 [0,2,0,0,0,0|0,0,2]=4 1770 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100020667443 [0,2,0,0,0,0|0,0,2]=4 1771 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100020667443 [0,2,0,0,0,0|0,0,2]=4 1772 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200000210301 [0,2,0,0,0,0|0,0,2]=4 1773 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200025704644 [0,2,0,0,0,0|0,0,2]=4 1774 B14R1.6048 CC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000070787_100009814262 [0,2,0,0,0,0|1,0,1]=4 1775 B14R1.6048 Cc1cc(ccc1C(=O)CC(=O)N)O 1458a_100000692822_100000187820 [0,2,0,0,0,0|1,0,1]=4 1776 B14R1.6048 Cc1cc(ccc1C(=O)CC(=O)[O-])O 1458a_100000692822_100020667443 [0,2,0,0,0,0|0,0,2]=4 1777 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000187820 [0,2,0,0,0,0|1,0,1]=4 1778 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000187820 [0,2,0,0,0,0|1,0,1]=4 1779 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1F)O 1458a_100000689029_100000187820 [0,2,0,0,0,0|1,0,1]=4 1780 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000187820 [0,2,0,0,0,0|1,0,1]=4 1781 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100020667443 [0,2,0,0,0,0|0,0,2]=4 1782 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100020667443 [0,2,0,0,0,0|0,0,2]=4 1783 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1F)O 1458a_100000689029_100020667443 [0,2,0,0,0,0|0,0,2]=4 1784 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)O 1458a_100000212172_100020667443 [0,2,0,0,0,0|0,0,2]=4 1785 B14R1.536 CC(=O)/C(=C/c1ccc(cc1)Cl)/C#N 1458a_100016996005_200000210301 [0,2,0,0,0,0|2,0,0]=4 1786 B14R1.536 CC(=O)C(=Cc1ccc(cc1)F)C#N 1458a_100000162691_200000210301 [0,2,0,0,0,0|2,0,0]=4 1787 B14R1.536 CC(=O)C(=Cc1ccc(cc1)O)C#N 1458a_100000162680_200000210301 [0,2,0,0,0,0|1,0,0]=3 1788 B14R1.536 [13CH3]C(=O)/C(=C/c1ccc(cc1)Cl)/C#N 1458a_100016996005_200025704644 [0,2,0,0,0,0|2,0,0]=4 1789 B14R1.536 [13CH3]C(=O)C(=Cc1ccc(cc1)F)C#N 1458a_100000162691_200025704644 [0,2,0,0,0,0|2,0,0]=4 1790 B14R1.536 [13CH3]C(=O)C(=Cc1ccc(cc1)O)C#N 1458a_100000162680_200025704644 [0,2,0,0,0,0|1,0,0]=3 1791 B14R1.686 Cc1cc(ccc1O)NC(=O)C(=O)N 22a_100011218179_100011215815 [0,2,0,0,0,0|2,0,0]=4 1792 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100011215815 [0,2,0,0,0,0|2,0,0]=4 1793 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100011215815 [0,2,0,0,0,0|2,0,0]=4 1794 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100011215815 [0,2,0,0,0,0|2,0,0]=4 1795 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011215815 [0,2,0,0,0,0|2,0,0]=4 1796 B14R1.6049 Cc1cc(ccc1NC(=O)C(=O)N)O 22a_100000756630_100011215815 [0,2,0,0,0,0|2,0,0]=4 1797 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Br)O 22a_100012001276_100011215815 [0,2,0,0,0,0|2,0,0]=4 1798 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100011215815 [0,2,0,0,0,0|2,0,0]=4 1799 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1F)O 22a_100000759473_100011215815 [0,2,0,0,0,0|2,0,0]=4 1800 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1I)O 22a_100010084370_100011215815 [0,2,0,0,0,0|2,0,0]=4 1801 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100011215815 [0,2,0,0,0,0|2,0,0]=4 1802 B14R1.1600 CC(O)C=Cc1ccc(cc1C#N)O 271570a_200011019289_100009818209 [0,2,0,0,0,0|1,0,1]=4 1803 B14R1.1600 CC(O)C=Cc1ccc(cc1C=O)O 271570a_200011019289_100000690577 [0,2,0,0,0,0|1,0,1]=4 1804 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)O 271570a_200011019289_100012351483 [0,2,0,0,0,0|1,0,1]=4 1805 B14R1.1600 COc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100011827694 [0,2,0,0,0,0|1,0,1]=4 1806 B14R1.3152 CC(=O)C=Cc1c(cc(cc1C)C)C 1458a_100011191989_200000210301 [0,2,0,0,0,0|2,0,0]=4 1807 B14R1.3152 CC(=O)C=Cc1c(cc(cc1Cl)O)Cl 1458a_200050542424_200000210301 [0,2,0,0,0,0|1,0,0]=3 1808 B14R1.3152 CC(O)C=Cc1c(cc(cc1F)O)F 271570a_200011019289_100010219129 [0,2,0,0,0,0|1,0,1]=4 1809 B14R1.3152 CC(O)C=Cc1c(cc(cc1O)O)O 271570a_200011019289_200010341185 [0,2,0,0,0,0|1,0,1]=4 1810 B14R1.3152 Cc1cc(c(c(c1)C)C=CC(=O)[13CH3])C 1458a_100011191989_200025704644 [0,2,0,0,0,0|2,0,0]=4 1811 B14R1.3152 Cc1cc(cc(c1C=CC(C)O)C)O 271570a_200011019289_100000243743 [0,2,0,0,0,0|1,0,1]=4 1812 B14R1.3152 [13CH3]C(=O)C=Cc1c(cc(cc1Cl)O)Cl 1458a_200050542424_200025704644 [0,2,0,0,0,0|1,0,0]=3 1813 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1Br)O 271570a_200016258132_100000701344 [0,2,0,0,0,0|1,0,1]=4 1814 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1Cl)O 271570a_200016258132_100000047559 [0,2,0,0,0,0|1,0,1]=4 1815 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1F)O 271570a_200016258132_100000755031 [0,2,0,0,0,0|1,0,1]=4 1816 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1N)O 271570a_200016258132_100011999798 [0,2,0,0,0,0|1,0,1]=4 1817 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)O 271570a_200016258132_100009813921 [0,2,0,0,0,0|1,0,1]=4 1818 B14R1.4463 Cc1cc(ccc1C=CC(C)(C)O)O 271570a_200016258132_100000729255 [0,2,0,0,0,0|1,0,1]=4 1819 B14R1.6036 CC(=O)C=Cc1cc(c(cc1C)C)C 1458a_100000739386_200000210301 [0,2,0,0,0,0|2,0,0]=4 1820 B14R1.6036 CC(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200000210301 [0,2,0,0,0,0|2,0,0]=4 1821 B14R1.6036 CC(O)C=Cc1cc(c(cc1Cl)O)N 271570a_200011019289_100011011175 [0,2,0,0,0,0|1,0,1]=4 1822 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)F 271570a_200011019289_100011830439 [0,2,0,0,0,0|1,0,1]=4 1823 B14R1.6036 CC(O)C=Cc1cc(c(cc1F)O)N 271570a_200011019289_100012359894 [0,2,0,0,0,0|1,0,1]=4 1824 B14R1.6036 Cc1cc(c(cc1C)C=CC(=O)[13CH3])C 1458a_100000739386_200025704644 [0,2,0,0,0,0|2,0,0]=4 1825 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)F)O 271570a_200011019289_100012355673 [0,2,0,0,0,0|1,0,1]=4 1826 B14R1.6036 Cc1cc(c(cc1C=CC(C)O)N)O 271570a_200011019289_200010235796 [0,2,0,0,0,0|1,0,1]=4 1827 B14R1.6036 Cc1cc(c(cc1O)C)C=CC(C)O 271570a_200011019289_100000698207 [0,2,0,0,0,0|1,0,1]=4 1828 B14R1.6036 [13CH3]C(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200025704644 [0,2,0,0,0,0|2,0,0]=4 1829 B14R1.6059 CC(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200000210301 [0,2,0,0,0,0|2,0,0]=4 1830 B14R1.6059 CC(O)C=Cc1ccc(c(c1F)F)O 271570a_200011019289_100011830415 [0,2,0,0,0,0|1,0,1]=4 1831 B14R1.6059 Cc1c(ccc(c1C)C=CC(C)O)O 271570a_200011019289_100012353674 [0,2,0,0,0,0|1,0,1]=4 1832 B14R1.6059 Cc1c(ccc(c1F)C=CC(C)O)O 271570a_200011019289_100010390934 [0,2,0,0,0,0|1,0,1]=4 1833 B14R1.6059 Cc1c(ccc(c1N)O)C=CC(C)O 271570a_200011019289_100013039247 [0,2,0,0,0,0|1,0,1]=4 1834 B14R1.6059 [13CH3]C(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200025704644 [0,2,0,0,0,0|2,0,0]=4 1835 B14R1.42 CC(O)C=Cc1ccc(c(c1)C#N)O 271570a_200011019289_100000687585 [0,2,0,0,0,0|1,0,1]=4 1836 B14R1.42 CC(O)C=Cc1ccc(c(c1)C=O)O 271570a_200011019289_100000186750 [0,2,0,0,0,0|1,0,1]=4 1837 B14R1.42 CC(O)C=Cc1ccc(c(c1)CN)O 271570a_200011019289_100000730032 [0,2,0,0,0,0|1,0,1]=4 1838 B14R1.42 CC(O)C=Cc1ccc(c(c1)CO)O 271570a_200011019289_100000184703 [0,2,0,0,0,0|1,0,1]=4 1839 B14R1.42 CCc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100012338938 [0,2,0,0,0,0|1,0,1]=4 1840 B14R1.42 COc1cc(ccc1Br)C=CC(=O)C 1458a_100016267305_200000210301 [0,2,0,0,0,0|2,0,0]=4 1841 B14R1.42 COc1cc(ccc1Br)C=CC(=O)[13CH3] 1458a_100016267305_200025704644 [0,2,0,0,0,0|2,0,0]=4 1842 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,2,0,0,0,0|1,0,0]=3 1843 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,2,0,0,0,0|1,0,0]=3 1844 B14R1.42 COc1cc(ccc1O)C=CC(C)O 271570a_200011019289_100000694246 [0,2,0,0,0,0|1,0,1]=4 1845 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)Br)O 271570a_200016258132_100012361655 [0,2,0,0,0,0|1,0,1]=4 1846 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)Cl)O 271570a_200016258132_100012360047 [0,2,0,0,0,0|1,0,1]=4 1847 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)F)O 271570a_200016258132_100000185481 [0,2,0,0,0,0|1,0,1]=4 1848 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)N)O 271570a_200016258132_100000752626 [0,2,0,0,0,0|1,0,1]=4 1849 B14R1.684 CC(C)(O)C=Cc1ccc(c(c1)O)O 271570a_200016258132_100009813601 [0,2,0,0,0,0|1,0,1]=4 1850 B14R1.684 Cc1cc(ccc1O)C=CC(C)(C)O 271570a_200016258132_100000186361 [0,2,0,0,0,0|1,0,1]=4 1851 B14R1.15552 CC(=O)C=Cc1cc(c(c(c1)F)F)F 1458a_100016255326_200000210301 [0,2,0,0,0,0|2,0,0]=4 1852 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_200011019289_100012339652 [0,2,0,0,0,0|1,0,1]=4 1853 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)O)F 271570a_200011019289_100011216917 [0,2,0,0,0,0|1,0,1]=4 1854 B14R1.15552 CC(O)C=Cc1cc(c(c(c1)F)O)N 271570a_200011019289_100011217383 [0,2,0,0,0,0|1,0,1]=4 1855 B14R1.15552 Cc1cc(cc(c1O)Br)C=CC(C)O 271570a_200011019289_100010982682 [0,2,0,0,0,0|1,0,1]=4 1856 B14R1.15552 Cc1cc(cc(c1O)C)C=CC(C)O 271570a_200011019289_100000187306 [0,2,0,0,0,0|1,0,1]=4 1857 B14R1.15552 Cc1cc(cc(c1O)Cl)C=CC(C)O 271570a_200011019289_200015900153 [0,2,0,0,0,0|1,0,1]=4 1858 B14R1.15552 Cc1cc(cc(c1O)N)C=CC(C)O 271570a_200011019289_100011825904 [0,2,0,0,0,0|1,0,1]=4 1859 B14R1.15552 [13CH3]C(=O)C=Cc1cc(c(c(c1)F)F)F 1458a_100016255326_200025704644 [0,2,0,0,0,0|2,0,0]=4 1860 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [0,0,1,1,0,0|1,0,1]=4 1861 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,0,1,1,0,0|2,0,0]=4 1862 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,0,1,1,0,0|2,0,0]=4 1863 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,0,1,1,0,0|2,0,0]=4 1864 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,0,1,1,0,0|2,0,0]=4 1865 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,0,1,1,0,0|1,0,0]=3 1866 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)C 271570a_100011290941_100012257281 [0,0,1,1,0,0|2,0,0]=4 1867 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)F 271570a_100011290941_100000162119 [0,0,1,1,0,0|2,0,0]=4 1868 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)N 271570a_100011290941_100000740421 [0,0,1,1,0,0|2,0,0]=4 1869 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,0,1,1,0,0|1,0,0]=3 1870 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,1,0,0|2,0,0]=4 1871 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,1,0,0|1,0,0]=3 1872 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,1,0,0|2,0,0]=4 1873 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,1,0,0|1,0,0]=3 1874 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,1,0,0|2,0,0]=4 1875 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,1,0,0|2,0,0]=4 1876 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,1,0,0|2,0,0]=4 1877 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,0,0,1,0,0|2,0,0]=4 1878 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,1,0,0|2,0,0]=4 1879 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,0,0,1,0,0|2,0,0]=4 1880 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,1,0,0|2,0,0]=4 1881 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,1,0,0|2,0,0]=4 1882 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [1,0,0,1,0,0|2,0,0]=4 1883 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [1,0,0,1,0,0|2,0,0]=4 1884 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [1,0,0,1,0,0|2,0,0]=4 1885 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [1,0,0,1,0,0|2,0,0]=4 1886 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [1,0,0,1,0,0|2,0,0]=4 1887 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [1,0,0,1,0,0|0,0,2]=4 1888 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [1,0,0,1,0,0|1,0,1]=4 1889 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [1,0,0,1,0,0|1,0,1]=4 1890 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [1,0,0,1,0,0|1,0,1]=4 1891 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [1,0,0,1,0,0|2,0,0]=4 1892 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [1,0,0,1,0,0|2,0,0]=4 1893 B12R2.606 Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010196937 [0,0,0,1,1,0|2,0,0]=4 1894 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [0,0,0,1,1,0|2,0,0]=4 1895 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [0,0,0,1,1,0|2,0,0]=4 1896 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,0,0,1,1,0|2,0,0]=4 1897 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,0,0,1,1,0|1,0,1]=4 1898 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,0,0,1,1,0|1,0,1]=4 1899 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,0,0,1,1,0|2,0,0]=4 1900 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,0,0,1,1,0|2,0,0]=4 1901 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,0,0,1,1,0|2,0,0]=4 1902 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,0,0,1,1,0|1,0,0]=3 1903 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,0,0,1,1,0|1,1,0]=4 1904 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [0,0,0,1,1,0|2,0,0]=4 1905 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [0,0,0,1,1,0|1,1,0]=4 1906 B14R2.20 Cc1c[nH]c(n1)c2ccc(cc2)O 271570a_100015205159_100161115468 [0,0,0,1,0,1|2,0,0]=4 1907 B14R2.20 Cc1cc(cs1)c2ccc(cc2)O 271570a_100000699828_100000185759 [0,0,0,1,0,1|2,0,0]=4 1908 B14R2.20 Cc1cc(cs1)c2ccc(cc2)O 271570a_100015205159_100000759034 [0,0,0,1,0,1|2,0,0]=4 1909 B14R2.20 Cc1ccc(cc1)c2ccc(o2)C 271570a_100000061910_100000186775 [0,0,0,1,0,1|2,0,0]=4 1910 B14R2.20 Cc1ccc(o1)c2ccc(cc2)Br 271570a_100000061910_100000752885 [0,0,0,1,0,1|2,0,0]=4 1911 B14R2.20 Cc1ccc(o1)c2ccc(cc2)Cl 271570a_100000061910_100000755918 [0,0,0,1,0,1|2,0,0]=4 1912 B14R2.20 Cc1ccc(o1)c2ccc(cc2)F 271570a_100000061910_100000211213 [0,0,0,1,0,1|2,0,0]=4 1913 B14R2.20 Cc1ccc(o1)c2ccc(cc2)N 271570a_100000061910_100000185761 [0,0,0,1,0,1|2,0,0]=4 1914 B14R2.20 Cc1ccc(o1)c2ccc(cc2)O 271570a_100000061910_100000185759 [0,0,0,1,0,1|1,0,0]=3 1915 B14R2.20 Cc1ccc(o1)c2ccc(cn2)O 271570a_100000061910_100000685995 [0,0,0,1,0,1|2,0,0]=4 1916 B14R2.20 Cc1ccc(s1)c2ccc(cc2)O 271570a_100011934456_100000185759 [0,0,0,1,0,1|1,1,0]=4 1917 B14R2.20 Cc1ccc(s1)c2ccc(cc2)O 271570a_100015205159_100000761539 [0,0,0,1,0,1|1,1,0]=4 1918 B14R2.20 Cc1ccn(n1)c2ccc(cc2)O 271570a_203496583355_200010245520 [0,0,0,1,0,1|2,0,0]=4 1919 B14R2.20 Cc1cnc(s1)c2ccc(cc2)O 271570a_100015205159_100000690809 [0,0,0,1,0,1|1,1,0]=4 1920 B14R2.20 Cc1csc(c1)c2ccc(cc2)O 271570a_100000038307_100000185759 [0,0,0,1,0,1|2,0,0]=4 1921 B14R2.20 Cc1csc(c1)c2ccc(cc2)O 271570a_100015205159_100009876951 [0,0,0,1,0,1|2,0,0]=4 1922 B14R2.20 Cc1csc(n1)c2ccc(cc2)O 271570a_100015205159_100011291629 [0,0,0,1,0,1|2,0,0]=4 1923 B14R2.20 Cc1nc(c[nH]1)c2ccc(cc2)O 271570a_100015205159_100009814057 [0,0,0,1,0,1|2,0,0]=4 1924 B14R2.20 Cc1nc(cs1)c2ccc(cc2)O 271570a_100015205159_100011934587 [0,0,0,1,0,1|2,0,0]=4 1925 B14R2.20 Cc1nc(cs1)c2ccc(cc2)O 271570a_203496583355_100000169024 [0,0,0,1,0,1|2,0,0]=4 1926 B14R2.20 Cc1ncc(s1)c2ccc(cc2)O 271570a_100000696845_100000185759 [0,0,0,1,0,1|1,1,0]=4 1927 B14R2.20 Cc1ncc(s1)c2ccc(cc2)O 271570a_100015205159_100000764884 [0,0,0,1,0,1|1,1,0]=4 1928 B14R2.20 Cc1nnc(o1)c2ccc(cc2)O 271570a_100015205159_100000708914 [0,0,0,1,0,1|2,0,0]=4 1929 B14R2.20 Cc1nnc(o1)c2ccc(cc2)O 271570a_203496583355_100000185884 [0,0,0,1,0,1|2,0,0]=4 1930 B14R2.20 Nc1csc(n1)c2ccc(cc2)O 271570a_100015205159_200015188442 [0,0,0,1,0,1|2,0,0]=4 1931 B14R2.20 Nc1nc(cs1)c2ccc(cc2)O 271570a_100015205159_100011998049 [0,0,0,1,0,1|2,0,0]=4 1932 B14R2.20 Nc1nc(cs1)c2ccc(cc2)O 271570a_203496583355_100000176804 [0,0,0,1,0,1|2,0,0]=4 1933 B14R2.20 Nc1ncc(s1)c2ccc(cc2)O 271570a_203496583355_100000189506 [0,0,0,1,0,1|1,1,0]=4 1934 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)O 271570a_100010737933_100000185759 [0,0,0,1,0,1|1,0,1]=4 1935 B14R2.20 O=c1[nH]c(no1)c2ccc(cc2)O 271570a_203496583355_100011388237 [0,0,0,1,0,1|2,0,0]=4 1936 B14R2.20 Oc1ccc(cc1)c2ccc(s2)Br 271570a_100015205159_100010197418 [0,0,0,1,0,1|1,1,0]=4 1937 B14R2.20 Oc1ccc(cc1)c2ccc(s2)Cl 271570a_100000708867_100000185759 [0,0,0,1,0,1|1,1,0]=4 1938 B14R2.20 Oc1ccc(cc1)c2csc(n2)O 271570a_203496583355_100000018634 [0,0,0,1,0,1|1,0,0]=3 1939 B14R2.20 Oc1ccc(cc1)c2nc(cs2)Br 271570a_100015205159_200016082925 [0,0,0,1,0,1|2,0,0]=4 1940 B14R2.20 Oc1ccc(cc1)c2noc(n2)O 270196a_100000210344_100015183105 [0,0,0,1,0,1|2,0,0]=4 1941 B14R2.20 Oc1nc(cs1)c2ccc(cc2)F 271570a_203496583355_100012039260 [0,0,0,1,0,1|2,0,0]=4 1942 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000731263 [0,0,0,1,0,1|1,0,0]=3 1943 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cn2)O 271570a_203496583355_100012343711 [0,0,0,1,0,1|2,0,0]=4 1944 B14R2.5816 CC(=O)c1c[nH]c2c1cc(nc2)O 271570a_203496583355_100010761600 [0,0,0,1,0,1|2,0,0]=4 1945 B14R2.5816 CC(=O)c1cnc2n1cc(cc2)O 271570a_203496583355_100010260146 [0,0,0,1,0,1|2,0,0]=4 1946 B14R2.5816 CC(=O)c1csc2c1cc(cc2)O 271570a_203496583355_100010167055 [0,0,0,1,0,1|1,0,0]=3 1947 B14R2.5816 CC(=O)c1n[nH]c2c1cc(cc2)O 271570a_203496583355_100010178523 [0,0,0,1,0,1|2,0,0]=4 1948 B14R2.5816 CC(=O)n1ncc2c1cc(cc2)O 271570a_203496583355_100010183375 [0,0,0,1,0,1|2,0,0]=4 1949 B14R2.5816 NC(=O)c1cnc2n1cc(cc2)O 271570a_203496583355_100030059705 [0,0,0,1,0,1|2,0,0]=4 1950 B14R2.134 C=Cc1ccc2ccc(=O)oc2c1 271570a_100011290941_100009993525 [0,1,0,1,0,0|1,0,0]=3 1951 B14R2.134 C=Cc1ccc2ccc(cc2c1)O 271570a_100011290941_100009816537 [0,1,0,1,0,0|2,0,0]=4 1952 B14R2.134 C=Cc1ccc2ccc(cc2n1)O 271570a_100011290941_100000079174 [0,1,0,1,0,0|2,0,0]=4 1953 B14R2.134 C=Cc1ccc2ccc(nc2c1)O 271570a_100011290941_100000690401 [0,1,0,1,0,0|2,0,0]=4 1954 B14R2.134 CNc1ccc2ccc(cc2c1)O 34a_100015378740_200000210301 [0,1,0,1,0,0|2,0,0]=4 1955 B14R2.134 CNc1ccc2ccc(cc2c1)O 7a_100015378740_200000210301 [0,1,0,1,0,0|2,0,0]=4 1956 B14R2.134 COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200000210301 [0,1,0,1,0,0|0,0,2]=4 1957 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [0,1,0,1,0,0|0,0,0]=2 1958 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [0,1,0,1,0,0|0,0,0]=2 1959 B14R2.134 COc1ccc2ccc(cc2c1)Br 34a_100009816537_200000210301 [0,1,0,1,0,0|2,0,0]=4 1960 B14R2.134 COc1ccc2ccc(cc2c1)Br 7a_100009816537_200000210301 [0,1,0,1,0,0|2,0,0]=4 1961 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [0,1,0,1,0,0|2,0,0]=4 1962 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [0,1,0,1,0,0|2,0,0]=4 1963 B14R2.134 COc1ccc2ccc(cc2c1)N 34a_100015378740_200000210301 [0,1,0,1,0,0|2,0,0]=4 1964 B14R2.134 COc1ccc2ccc(cc2c1)N 7a_100015378740_200000210301 [0,1,0,1,0,0|2,0,0]=4 1965 B14R2.134 COc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090027 [0,1,0,1,0,0|1,0,0]=3 1966 B14R2.134 COc1ccc2ccc(cc2n1)O 271570a_203496583355_100010248626 [0,1,0,1,0,0|1,0,0]=3 1967 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [0,1,0,1,0,0|2,0,0]=4 1968 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [0,1,0,1,0,0|2,0,0]=4 1969 B14R2.134 COc1ccc2ccc(nc2c1)Cl 34a_100000079174_200000210301 [0,1,0,1,0,0|2,0,0]=4 1970 B14R2.134 COc1ccc2ccc(nc2c1)Cl 7a_100000079174_200000210301 [0,1,0,1,0,0|2,0,0]=4 1971 B14R2.134 COc1ccc2ccc(nc2c1)O 271570a_203496583355_100009877240 [0,1,0,1,0,0|1,0,0]=3 1972 B14R2.134 COc1ccc2cnc(nc2c1)O 271570a_203496583355_100000059825 [0,1,0,1,0,0|2,0,0]=4 1973 B14R2.134 COc1ccc2ncc(cc2c1)O 271570a_203496583355_100000700671 [0,1,0,1,0,0|2,0,0]=4 1974 B14R2.134 COc1ccc2ncc(nc2c1)O 271570a_203496583355_100009882714 [0,1,0,1,0,0|2,0,0]=4 1975 B14R2.134 COc1cnc2ccc(cc2n1)O 271570a_203496583355_100010293655 [0,1,0,1,0,0|2,0,0]=4 1976 B14R2.134 CSc1ccc2ccc(=O)oc2c1 62a_200000210301_100009993525 [0,1,0,1,0,0|0,1,0]=3 1977 B14R2.134 CSc1ccc2ccc(cc2c1)O 62a_200000210301_100009816537 [0,1,0,1,0,0|1,1,0]=4 1978 B14R2.134 CSc1ccc2ccc(cc2n1)O 62a_200000210301_100000079174 [0,1,0,1,0,0|1,1,0]=4 1979 B14R2.134 CSc1ccc2ccc(nc2c1)O 62a_200000210301_100000690401 [0,1,0,1,0,0|1,1,0]=4 1980 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [0,1,0,1,0,0|2,0,0]=4 1981 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [0,1,0,1,0,0|2,0,0]=4 1982 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [0,1,0,1,0,0|2,0,0]=4 1983 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [0,1,0,1,0,0|2,0,0]=4 1984 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [0,1,0,1,0,0|1,0,0]=3 1985 B14R2.134 O=Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100010174008 [0,1,0,1,0,0|2,0,0]=4 1986 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 34a_100015378740_200025704644 [0,1,0,1,0,0|2,0,0]=4 1987 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 7a_100015378740_200025704644 [0,1,0,1,0,0|2,0,0]=4 1988 B14R2.134 [13CH3]Oc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200025704644 [0,1,0,1,0,0|0,0,2]=4 1989 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [0,1,0,1,0,0|0,0,0]=2 1990 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [0,1,0,1,0,0|0,0,0]=2 1991 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 34a_100009816537_200025704644 [0,1,0,1,0,0|2,0,0]=4 1992 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 7a_100009816537_200025704644 [0,1,0,1,0,0|2,0,0]=4 1993 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 34a_100015378740_200025704644 [0,1,0,1,0,0|2,0,0]=4 1994 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 7a_100015378740_200025704644 [0,1,0,1,0,0|2,0,0]=4 1995 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_200025704644 [0,1,0,1,0,0|2,0,0]=4 1996 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_200025704644 [0,1,0,1,0,0|2,0,0]=4 1997 B14R2.134 [13CH3]Sc1ccc2ccc(=O)oc2c1 62a_200025704644_100009993525 [0,1,0,1,0,0|0,1,0]=3 1998 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)O 62a_200025704644_100009816537 [0,1,0,1,0,0|1,1,0]=4 1999 B14R2.134 [13CH3]Sc1ccc2ccc(cc2n1)O 62a_200025704644_100000079174 [0,1,0,1,0,0|1,1,0]=4 2000 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)O 62a_200025704644_100000690401 [0,1,0,1,0,0|1,1,0]=4 2001 B14R2.4513 Cc1ccc2occ(c(=O)c2c1)O 271570a_203496583355_200010005421 [0,1,0,1,0,0|2,0,0]=4 2002 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [0,1,0,1,0,0|1,0,0]=3 2003 B14R2.4513 Cn1c(=O)cnc2c1cc(cc2)O 271570a_203496583355_100010221214 [0,1,0,1,0,0|2,0,0]=4 2004 B14R2.4513 Cn1ccc2ccc(cc2c1=O)O 271570a_203496583355_100010371002 [0,1,0,1,0,0|2,0,0]=4 2005 B14R2.4513 O=c1c(c[nH]c2c1cc(cc2)Br)O 271570a_203496583355_100012348040 [0,1,0,1,0,0|2,0,0]=4 2006 B14R2.4513 O=c1c(coc2c1cc(cc2)Cl)O 271570a_203496583355_200010204847 [0,1,0,1,0,0|2,0,0]=4 2007 B14R2.4513 O=c1c(coc2c1cc(cc2)F)O 271570a_203496583355_200009813772 [0,1,0,1,0,0|2,0,0]=4 2008 B14R2.29365 Cc1cc(nc2c1ccc(c2)N)O 271570a_203496583355_100000103534 [0,1,0,1,0,0|2,0,0]=4 2009 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,1,0,0|2,0,0]=4 2010 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,1,0,0|2,0,0]=4 2011 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,1,0,0|0,0,0]=2 2012 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,1,0,1,0,0|2,0,0]=4 2013 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,1,0,1,0,0|2,0,0]=4 2014 B14R2.4529 CC(=O)n1cc2ccc(cc2n1)O 271570a_203496583355_100010184422 [0,1,0,1,0,0|2,0,0]=4 2015 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,1,0,0|2,0,0]=4 2016 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,1,0,1,0,0|2,0,0]=4 2017 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,1,0,0|1,0,0]=3 2018 B14R2.4529 OB(O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_200010246288 [0,1,0,1,0,0|1,0,1]=4 2019 B14R2.4529 OB(O)c1cc2ccc(cc2s1)O 271570a_203496583355_100015653926 [0,1,0,1,0,0|1,0,1]=4 2020 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,1,0,0|2,0,0]=4 2021 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,1,0,1,0,0|1,0,0]=3 2022 B14R2.8239 Oc1ccc2cc(c(nc2c1)Cl)Br 271570a_203496583355_100135414633 [0,1,0,1,0,0|2,0,0]=4 2023 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,1,0|2,0,0]=4 2024 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,1,0|1,0,1]=4 2025 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,1,0|2,0,0]=4 2026 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,1,0|2,0,0]=4 2027 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,1,0|2,0,0]=4 2028 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,1,0|2,0,0]=4 2029 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,0,0,1,0|2,0,0]=4 2030 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,0,0,0,1,0|2,0,0]=4 2031 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [1,0,0,0,1,0|2,0,0]=4 2032 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,0,0,1,0|2,0,0]=4 2033 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,0,0,0,1,0|2,0,0]=4 2034 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [1,0,0,0,1,0|2,0,0]=4 2035 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,0,0,0,2,0|2,0,0]=4 2036 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,0,0,0,2,0|2,0,0]=4 2037 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,0,0,2,0|2,0,0]=4 2038 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,2,0|2,0,0]=4 2039 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,0,0,2,0|2,0,0]=4 2040 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,0,0,2,0|2,0,0]=4 2041 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,0,0,2,0|2,0,0]=4 2042 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,0,0,2,0|1,0,0]=3 2043 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,0,0,2,0|1,0,0]=3 2044 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,2,0|2,0,0]=4 2045 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,0,0,2,0|2,0,0]=4 2046 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,0,0,0,2,0|1,0,1]=4 2047 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,0,0,0,2,0|2,0,0]=4 2048 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,2,0|2,0,0]=4 2049 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,0,0,2,0|1,0,0]=3 2050 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,2,0|2,0,0]=4 2051 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,0,0,2,0|2,0,0]=4 2052 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,0,0,0,2,0|1,0,1]=4 2053 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,0,0,2,0|2,0,0]=4 2054 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,0,0,2,0|2,0,0]=4 2055 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,0,0,2,0|2,0,0]=4 2056 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,0,0,2,0|2,0,0]=4 2057 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,0,0,2,0|1,0,0]=3 2058 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,0,0,0,0,1|1,0,0]=3 2059 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,0,0,0,0,1|1,0,0]=3 2060 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [1,0,0,0,0,1|1,0,0]=3 2061 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [1,0,0,0,0,1|2,0,0]=4 2062 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,0,0,0,0,1|0,0,2]=4 2063 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,0,0,0,0,1|1,0,0]=3 2064 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [1,0,0,0,0,1|1,0,0]=3 2065 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)Br 271570a_200000047263_100000752885 [0,0,0,0,0,2|2,0,0]=4 2066 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)C 271570a_200000047263_100000186775 [0,0,0,0,0,2|2,0,0]=4 2067 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)Cl 271570a_200000047263_100000755918 [0,0,0,0,0,2|2,0,0]=4 2068 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)F 271570a_200000047263_100000211213 [0,0,0,0,0,2|2,0,0]=4 2069 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)N 271570a_200000047263_100000185761 [0,0,0,0,0,2|2,0,0]=4 2070 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)O 271570a_200000047263_100000185759 [0,0,0,0,0,2|1,0,0]=3 2071 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)O 271570a_200000047263_100000685995 [0,0,0,0,0,2|2,0,0]=4 2072 B14R1.677 O=C(O)CNCCc1ccc(cc1)O 269956a_100016091260_100009816426 [0,0,0,0,0,2|0,0,2]=4 2073 B14R1.677 OB(O)/C=C/CNc1ccc(cc1)O 34a_100000185829_100016262062 [0,0,0,0,0,2|1,0,1]=4 2074 B14R1.677 OB(O)/C=C/CSc1ccc(cc1)O 62a_100016262062_100000185759 [0,0,0,0,0,2|1,0,1]=4