0 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,0,0,0,0,0|2,0,0]=2 36 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,0,0,0,0,0|2,0,1]=3 40 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,0|2,1,0]=4 100 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,0,0,0,0,0|2,0,1]=4 101 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,0|1,0,0]=2 110 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,0|1,0,0]=2 121 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,0,0,0,0,0|2,0,1]=4 128 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,0,0,0,0,0|2,0,1]=4 129 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,0,0,0,0,0|1,0,1]=3 130 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [1,0,0,0,0,0|1,0,1]=3 135 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,0,0,0,0,0|0,0,1]=2 136 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,0,0,0,0,0|1,0,2]=4 138 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,0,0,0,0,0|1,0,1]=3 139 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,0,0,0,0,0|1,0,1]=3 140 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,0,0,0,0,0|2,0,1]=4 142 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,0,0,0,0,0|2,0,0]=3 145 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,0,0,0,0,0|2,0,0]=3 153 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,0,0,0,0|2,0,0]=3 154 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Br 1458a_100000211873_100000755118 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)C 1458a_100000211873_100011261388 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000211873_100000684792 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.21 C#CC(=O)C(C)c1ccc(cc1)F 1458a_100000211873_100000743420 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Br 1458a_100000185746_100000755118 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)C 1458a_100000185746_100011261388 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000185746_100000684792 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.21 C=CC(=O)C(C)c1ccc(cc1)F 1458a_100000185746_100000743420 [0,1,0,0,0,0|3,0,0]=4 162 B13R1.21 C=CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000185746 [0,1,0,0,0,0|3,0,0]=4 163 B13R1.21 CC(C(=O)CF)c1ccc(cc1)Cl 1458a_100011216001_100015361967 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.21 CC(C(=O)CF)c1ccc(cc1)F 1458a_100011435297_100015361967 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.21 CC(C(=O)CF)c1ccc(cc1)O 1458a_100000031422_100015361967 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Br 1458a_100000210174_100000755118 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,1,0,0,0,0|2,0,0]=3 168 B13R1.21 CC(C(=O)CO)c1ccc(cc1)F 1458a_100000210174_100000743420 [0,1,0,0,0,0|2,0,0]=3 169 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Br 1458a_100000210414_100000755118 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000210414_100011261388 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100000210202 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100000210414_100000684792 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_100000210202 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100000210414_100000743420 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_100000210202 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.21 CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210202 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.21 CCC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_100000210202 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,1,0,0,0,0|3,0,0]=4 180 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,1,0,0,0,0|2,0,0]=3 181 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000210414 [0,1,0,0,0,0|3,0,0]=4 182 B13R1.21 CCC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100000210414 [0,1,0,0,0,0|3,0,0]=4 183 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Br 22a_100000219623_100000210174 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.21 CN(C(=O)CO)c1ccc(cc1)Cl 22a_100020629279_100000210174 [0,1,0,0,0,0|3,0,0]=4 187 B13R1.21 CN(C(=O)CO)c1ccc(cc1)F 22a_100000219829_100000210174 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.21 CN(C(=O)CO)c1ccc(cc1)I 22a_100000743151_100000210174 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 22a_100000182112_100000210174 [0,1,0,0,0,0|2,0,0]=3 190 B13R1.21 CN(C(=O)CO)c1ccc(cc1)O 527a_100000182112_100000210174 [0,1,0,0,0,0|2,0,0]=3 191 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,1,0,0,0,0|3,0,0]=4 192 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,1,0,0,0,0|3,0,0]=4 197 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,1,0,0,0,0|3,0,0]=4 198 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,1,0,0,0,0|3,0,0]=4 199 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,1,0,0,0,0|3,0,0]=4 202 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,1,0,0,0,0|2,0,0]=3 204 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,1,0,0,0,0|3,0,0]=4 205 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,1,0,0,0,0|3,0,0]=4 206 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,1,0,0,0,0|3,0,0]=4 207 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,1,0,0,0,0|3,0,0]=4 208 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,1,0,0,0,0|3,0,0]=4 210 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,1,0,0,0,0|2,0,0]=3 211 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,1,0,0,0,0|3,0,0]=4 213 B13R1.21 COC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100012339527 [0,1,0,0,0,0|1,0,1]=3 214 B13R1.21 COC(=O)C(N)c1ccc(cc1)O 271570a_203496583355_100000747369 [0,1,0,0,0,0|0,0,0]=1 215 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CF 1458a_100000751627_100015361967 [0,1,0,0,0,0|3,0,0]=4 216 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CO 1458a_100000210174_100011261388 [0,1,0,0,0,0|2,0,0]=3 217 B13R1.21 Cc1ccc(cc1)N(C)C(=O)CO 22a_100000219977_100000210174 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.21 Cc1ccc(cc1)[C@@H](O)C(=O)CF 1458a_100009815954_100015361967 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.21 O=C(CF)C(F)c1ccc(cc1)Cl 1458a_100012277543_100015361967 [0,1,0,0,0,0|3,0,0]=4 220 B13R1.21 O=C(CF)C(O)c1ccc(cc1)Br 1458a_100000756554_100015361967 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.21 O=C(CF)C(O)c1ccc(cc1)F 1458a_100000209909_100015361967 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.21 O=C(CF)C(O)c1ccc(cc1)O 1458a_100011215213_100015361967 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.21 O=C(CF)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100015361967 [0,1,0,0,0,0|3,0,0]=4 224 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,1,0,0,0,0|3,0,0]=4 225 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,1,0,0,0,0|2,0,0]=3 226 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,1,0,0,0,0|2,0,0]=3 227 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,1,0,0,0,0|2,0,0]=3 228 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,1,0,0,0,0|2,0,0]=3 229 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,1,0,0,0,0|3,0,0]=4 232 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,1,0,0,0,0|3,0,0]=4 233 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.163 CC(=O)C(C)c1ccc(cc1Cl)F 1458a_200012359452_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B13R1.163 CC(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.163 CC(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 22a_100161107805_100000070787 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 527a_100161107805_100103153847 [0,1,0,0,0,0|3,0,0]=4 239 B13R1.163 CC(C(=O)[13CH3])c1ccc(cc1Cl)F 1458a_200012359452_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200025704644 [0,1,0,0,0,0|3,0,0]=4 242 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,1,0,0,0,0|2,0,0]=3 244 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,1,0,0,0,0|3,0,0]=4 245 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,1,0,0,0,0|2,0,0]=3 246 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Br 1458a_100000740082_200000210301 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)C 1458a_100000751694_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Cl 1458a_100000742901_200000210301 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)F 1458a_100000751650_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)O 1458a_100000721645_200000210301 [0,1,0,0,0,0|2,0,0]=3 251 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)Cl 1458a_100000695402_200000210301 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100000740082_200025704644 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000742901_200025704644 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)F 1458a_100000751650_200025704644 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000721645_200025704644 [0,1,0,0,0,0|2,0,0]=3 257 B13R1.522 CC(O)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000695402_200025704644 [0,1,0,0,0,0|3,0,0]=4 258 B13R1.522 Cc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000751694_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.522 Cc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_100011434902_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.525 N[C@@H](c1ccc(cc1)O)C(F)(F)F 271570a_203496583355_100016988356 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.706 CCN(C(=O)C)c1ccc(cc1)O 22a_100011337800_100000070787 [0,1,0,0,0,0|3,0,0]=4 264 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,1,0,0,0,0|1,0,0]=2 265 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,1,0,0,0,0|1,0,0]=2 266 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,1,0,0,0,0|1,0,0]=2 267 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,1,0,0,0,0|1,0,0]=2 268 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,1,0,0,0,0|1,0,0]=2 271 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,1,0,0,0,0|1,0,0]=2 272 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,1,0,0,0,0|1,0,0]=2 273 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,1,0,0,0,0|1,0,0]=2 274 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,0,0,1,0,0|2,0,0]=3 275 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,0,0,1,0,0|3,0,0]=4 276 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,0,0,1,0,0|2,0,0]=3 277 B13R2.5190 Cn1c(nc2c1ccc(c2)O)O 271570a_203496583355_100013992850 [0,0,0,1,0,0|3,0,0]=4 278 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,0,0,1,0,0|2,0,1]=4 279 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,0,0,0,0,1|2,0,1]=4 280 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,0,0,0,0,1|2,0,1]=4 281 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,0,0,0,0,1|3,0,0]=4 282 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,0,0,0,0,1|3,0,0]=4 283 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,0,0,0,0,1|3,0,0]=4 284 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,0,0,0,0,1|2,0,0]=3 285 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [0,0,0,0,0,1|3,0,0]=4 286 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [0,0,0,0,0,1|3,0,0]=4 287 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [0,0,0,0,0,1|3,0,0]=4 288 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [0,0,0,0,0,1|3,0,0]=4 289 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [0,0,0,0,0,1|3,0,0]=4 290 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [0,0,0,0,0,1|3,0,0]=4 291 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [0,0,0,0,0,1|3,0,0]=4 292 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [0,0,0,0,0,1|3,0,0]=4 293 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,0,0,0,0,1|2,0,0]=3 294 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [0,0,0,0,0,1|3,0,0]=4 295 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [0,0,0,0,0,1|3,0,0]=4 296 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [0,0,0,0,0,1|3,0,0]=4 297 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [0,0,0,0,0,1|3,0,0]=4 298 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [0,0,0,0,0,1|3,0,0]=4 299 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [0,0,0,0,0,1|3,0,0]=4 300 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [0,0,0,0,0,1|3,0,0]=4 301 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [0,0,0,0,0,1|3,0,0]=4 302 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [0,0,0,0,0,1|3,0,0]=4 303 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [0,0,0,0,0,1|3,0,0]=4 304 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [0,0,0,0,0,1|3,0,0]=4 305 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [0,0,0,0,0,1|3,0,0]=4 306 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [0,0,0,0,0,1|2,0,1]=4 307 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [0,0,0,0,0,1|3,0,0]=4 308 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [0,0,0,0,0,1|3,0,0]=4 309 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,0,0,0,0,1|3,0,0]=4 310 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,0,0,0,0,1|3,0,0]=4 311 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,0,0,0,0,1|3,0,0]=4 312 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,0,0,0,0,1|3,0,0]=4 313 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [0,0,0,0,0,1|2,0,1]=4 314 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [0,0,0,0,0,1|2,0,1]=4 315 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,0,0,0,0,1|3,0,0]=4 316 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,0,0,0,0,1|2,0,1]=4 317 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,0,0,0,0,1|1,0,2]=4 318 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,0,0,0,0,1|3,0,0]=4 319 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,0,0,0,0,1|3,0,0]=4 320 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,0,0,0,0,1|3,0,0]=4 321 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,0,0,0,0,1|3,0,0]=4 322 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,0,0,0,0,1|3,0,0]=4 323 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,0,0,0,0,1|3,0,0]=4 324 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,0,0,0,0,1|3,0,0]=4 325 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,0,0,0,0,1|3,0,0]=4 326 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,0,0,0,0,1|3,0,0]=4 327 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,0,0,0,0,1|3,0,0]=4 328 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,0,0,0,0,1|3,0,0]=4 329 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,0,0,0,0,1|3,0,0]=4 330 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,0,0,0,0,1|3,0,0]=4 331 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,0,0,0,0,1|3,0,0]=4 332 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,0,0,0,0,1|3,0,0]=4 333 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,0,0,0,0,1|3,0,0]=4 334 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,0,0,0,0,1|3,0,0]=4 335 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,0,0,0,0,1|3,0,0]=4 336 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,0,0,0,0,1|3,0,0]=4 337 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,0,0,0,0,1|3,0,0]=4 338 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,0,0,0,0,1|3,0,0]=4 339 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,0,0,0,0,1|3,0,0]=4 340 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,0,0,0,0,1|3,0,0]=4 341 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,0,0,0,0,1|3,0,0]=4 342 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,0,0,0,0,1|3,0,0]=4 343 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,0,0,0,0,1|3,0,0]=4 344 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,0,0,0,0,1|3,0,0]=4 345 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,0,0,0,0,1|3,0,0]=4 346 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,0,0,0,0,1|3,0,0]=4 347 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,0,0,0,0,1|2,0,0]=3 348 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)O 62a_100000685995_100009814033 [0,0,0,0,0,1|3,0,0]=4 349 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)O 62a_100009814033_100000744096 [0,0,0,0,0,1|3,0,0]=4 350 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,0,0,0,0,1|3,0,0]=4 351 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,0,0,0,0,1|3,0,0]=4 352 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,0,0,0,0,1|2,0,0]=3 353 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,0,0,0,0,1|3,0,0]=4 354 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,0,0,0,0,1|3,0,0]=4 355 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,0,0,0,0,1|2,0,0]=3 356 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,0,0,0,0,1|3,0,0]=4 357 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,0,0,0,0,1|3,0,0]=4 358 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,0,0,0,0,1|3,0,0]=4 359 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,0,0,0,0,1|3,0,0]=4 360 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,0,0,0,0,1|3,0,0]=4 361 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,0,0,0,0,1|3,0,0]=4 362 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,0,0,0,0,1|3,0,0]=4 363 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,0,0,0,0,1|3,0,0]=4 364 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,0,0,0,0,1|3,0,0]=4 365 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,0,0,0,0,1|2,0,0]=3 366 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,0,0,0,0,1|3,0,0]=4 367 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,0,0,0,0,1|3,0,0]=4 368 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,0,0,0,0,1|3,0,0]=4 369 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,0,0,0,0,1|3,0,0]=4 370 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,0,0,0,0,1|3,0,0]=4 371 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,0,0,0,0,1|3,0,0]=4 372 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,0,0,0,0,1|3,0,0]=4 373 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,0,0,0,0,1|3,0,0]=4 374 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,0,0,0,0,1|3,0,0]=4 375 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,0,0,0,0,1|3,0,0]=4 376 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,0,0,0,0,1|3,0,0]=4 377 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,0,0,0,0,1|2,0,0]=3 378 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,0,0,0,0,1|3,0,0]=4 379 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,0,0,0,0,1|3,0,0]=4 380 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,0,0,0,0,1|3,0,0]=4 381 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,0,0,0,0,1|3,0,0]=4 382 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,0,0,0,0,1|3,0,0]=4 383 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,0,0,0,0,1|3,0,0]=4 384 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,0,0,0,0,1|3,0,0]=4 385 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,0,0,0,0,1|3,0,0]=4 386 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,0,0,0,0,1|3,0,0]=4 387 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,0,0,0,0,1|3,0,0]=4 388 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,0,0,0,0,1|2,0,0]=3 389 B13R1.133 CC(Sc1ccc(cn1)O)C(=O)N 62a_100000685995_100000702099 [0,0,0,0,0,1|3,0,0]=4 390 B13R1.133 CC(Sc1ccc(cn1)O)C(=O)N 62a_100000702099_100000744096 [0,0,0,0,0,1|3,0,0]=4 391 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,0,0,0,0,1|2,0,0]=3 392 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,0,0,0,0,1|3,0,0]=4 393 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)N 34a_100000124888_100009813875 [0,0,0,0,0,1|3,0,0]=4 394 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000124888_100020610796 [0,0,0,0,0,1|2,0,1]=4 395 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,0,0,0,0,1|3,0,0]=4 396 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,0,0,0,0,1|3,0,0]=4 397 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,0,0,0,0,1|3,0,0]=4 398 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,0,0,0,0,1|3,0,0]=4 399 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,0,0,0,0,1|3,0,0]=4 400 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,0,0,0,0,1|2,0,1]=4 401 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,0,0,0,0,1|3,0,0]=4 402 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,0,0,0,0,1|3,0,0]=4 403 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,0,0,0,0,1|3,0,0]=4 404 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100000186775_100009813875 [0,0,0,0,0,1|3,0,0]=4 405 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000186775 [0,0,0,0,0,1|3,0,0]=4 406 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000186775_100020610796 [0,0,0,0,0,1|2,0,1]=4 407 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000186775 [0,0,0,0,0,1|2,0,1]=4 408 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,0,0,0,0,1|2,0,1]=4 409 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100009813875 [0,0,0,0,0,1|3,0,0]=4 410 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100009813875 [0,0,0,0,0,1|3,0,0]=4 411 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100009813875 [0,0,0,0,0,1|3,0,0]=4 412 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100009813875 [0,0,0,0,0,1|3,0,0]=4 413 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100009813875 [0,0,0,0,0,1|3,0,0]=4 414 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813875 [0,0,0,0,0,1|3,0,0]=4 415 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,0,0,0,0,1|2,0,0]=3 416 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,0,0,0,0,1|3,0,0]=4 417 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,0,0,0,0,1|3,0,0]=4 418 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,0,0,0,0,1|3,0,0]=4 419 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,0,0,0,0,1|3,0,0]=4 420 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,0,0,0,0,1|3,0,0]=4 421 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,0,0,0,0,1|3,0,0]=4 422 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,0,0,0,0,1|3,0,0]=4 423 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,0,0,0,0,1|3,0,0]=4 424 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100009813875 [0,0,0,0,0,1|3,0,0]=4 425 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100009813875_100000752885 [0,0,0,0,0,1|3,0,0]=4 426 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100009813875 [0,0,0,0,0,1|3,0,0]=4 427 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100009813875_100000755918 [0,0,0,0,0,1|3,0,0]=4 428 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100009813875 [0,0,0,0,0,1|3,0,0]=4 429 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100009813875_100000211213 [0,0,0,0,0,1|3,0,0]=4 430 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100009813875 [0,0,0,0,0,1|3,0,0]=4 431 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100009813875_100000185761 [0,0,0,0,0,1|3,0,0]=4 432 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,0,0,0,0,1|2,0,0]=3 433 B13R1.133 NC(=O)C(F)Sc1ccc(cn1)O 62a_100000685995_100009813875 [0,0,0,0,0,1|3,0,0]=4 434 B13R1.133 NC(=O)C(F)Sc1ccc(cn1)O 62a_100009813875_100000744096 [0,0,0,0,0,1|3,0,0]=4 435 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,0,0,0,0,1|2,0,1]=4 436 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000185761_100020610796 [0,0,0,0,0,1|2,0,1]=4 437 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000185761 [0,0,0,0,0,1|2,0,1]=4 438 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Br 34a_100000210018_100020610796 [0,0,0,0,0,1|2,0,1]=4 439 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Cl 34a_100000210052_100020610796 [0,0,0,0,0,1|2,0,1]=4 440 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)F 34a_100000185862_100020610796 [0,0,0,0,0,1|2,0,1]=4 441 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)I 34a_100000185761_100020610796 [0,0,0,0,0,1|2,0,1]=4 442 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,0,0,0,0,1|1,0,1]=3 443 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,0,0,0,0,1|2,0,1]=4 444 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,0,0,0,0,1|2,0,1]=4 445 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,0,0,0,0,1|2,0,1]=4 446 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,0,0,0,0,1|2,0,1]=4 447 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100000752885_100020610796 [0,0,0,0,0,1|2,0,1]=4 448 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100020610796_100000752885 [0,0,0,0,0,1|2,0,1]=4 449 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100000755918_100020610796 [0,0,0,0,0,1|2,0,1]=4 450 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100020610796_100000755918 [0,0,0,0,0,1|2,0,1]=4 451 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100000211213_100020610796 [0,0,0,0,0,1|2,0,1]=4 452 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100020610796_100000211213 [0,0,0,0,0,1|2,0,1]=4 453 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,0,0,0,0,1|1,0,1]=3 454 B13R1.133 O=C([O-])C(F)Sc1ccc(cn1)O 62a_100000685995_100020610796 [0,0,0,0,0,1|2,0,1]=4 455 B13R1.133 O=C([O-])C(F)Sc1ccc(cn1)O 62a_100020610796_100000744096 [0,0,0,0,0,1|2,0,1]=4 456 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,0,0,0,0,1|3,0,0]=4 457 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,0,0,0,0,1|3,0,0]=4 458 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,0,0,0,0,1|2,0,0]=3 459 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,0,0,0,0,1|3,0,0]=4 460 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|1,0,1]=4 461 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|1,0,1]=4 462 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [2,0,0,0,0,0|1,0,1]=4 463 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [2,0,0,0,0,0|2,0,0]=4 464 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [2,0,0,0,0,0|2,0,0]=4 465 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [2,0,0,0,0,0|2,0,0]=4 466 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [2,0,0,0,0,0|1,0,1]=4 467 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [2,0,0,0,0,0|1,0,1]=4 468 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [2,0,0,0,0,0|2,0,0]=4 469 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|0,0,0]=2 470 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [2,0,0,0,0,0|0,0,1]=3 471 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [2,0,0,0,0,0|1,0,1]=4 472 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [2,0,0,0,0,0|1,0,1]=4 473 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|1,0,1]=4 474 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [2,0,0,0,0,0|2,0,0]=4 475 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [2,0,0,0,0,0|2,0,0]=4 476 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,0]=3 477 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [2,0,0,0,0,0|2,0,0]=4 478 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [2,0,0,0,0,0|2,0,0]=4 479 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [2,0,0,0,0,0|2,0,0]=4 480 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [2,0,0,0,0,0|2,0,0]=4 481 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [2,0,0,0,0,0|2,0,0]=4 482 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 483 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 484 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [2,0,0,0,0,0|2,0,0]=4 485 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [2,0,0,0,0,0|2,0,0]=4 486 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [2,0,0,0,0,0|2,0,0]=4 487 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [2,0,0,0,0,0|2,0,0]=4 488 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [2,0,0,0,0,0|2,0,0]=4 489 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [2,0,0,0,0,0|1,0,1]=4 490 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [2,0,0,0,0,0|1,0,1]=4 491 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [2,0,0,0,0,0|1,0,1]=4 492 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [2,0,0,0,0,0|1,0,1]=4 493 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [2,0,0,0,0,0|1,0,1]=4 494 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [2,0,0,0,0,0|1,0,1]=4 495 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [2,0,0,0,0,0|1,0,0]=3 496 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [2,0,0,0,0,0|2,0,0]=4 497 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [2,0,0,0,0,0|2,0,0]=4 498 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [2,0,0,0,0,0|2,0,0]=4 499 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [2,0,0,0,0,0|0,0,1]=3 500 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [2,0,0,0,0,0|0,0,1]=3 501 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [2,0,0,0,0,0|1,0,1]=4 502 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [2,0,0,0,0,0|0,0,1]=3 503 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [2,0,0,0,0,0|1,0,1]=4 504 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [2,0,0,0,0,0|1,0,1]=4 505 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [2,0,0,0,0,0|2,0,0]=4 506 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [2,0,0,0,0,0|2,0,0]=4 507 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [2,0,0,0,0,0|1,0,1]=4 508 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [1,1,0,0,0,0|2,0,0]=4 509 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [1,1,0,0,0,0|2,0,0]=4 510 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [1,1,0,0,0,0|2,0,0]=4 511 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [1,1,0,0,0,0|2,0,0]=4 512 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [1,1,0,0,0,0|2,0,0]=4 514 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [1,1,0,0,0,0|2,0,0]=4 515 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [1,1,0,0,0,0|2,0,0]=4 516 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [1,1,0,0,0,0|1,0,1]=4 517 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [1,1,0,0,0,0|1,0,0]=3 518 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [1,1,0,0,0,0|1,0,0]=3 519 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [1,1,0,0,0,0|1,0,0]=3 520 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [1,1,0,0,0,0|1,0,0]=3 521 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [1,1,0,0,0,0|1,1,0]=4 522 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [1,1,0,0,0,0|1,1,0]=4 523 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [1,1,0,0,0,0|2,0,0]=4 524 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [1,1,0,0,0,0|2,0,0]=4 525 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [1,1,0,0,0,0|2,0,0]=4 526 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [1,1,0,0,0,0|2,0,0]=4 527 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [1,1,0,0,0,0|2,0,0]=4 528 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [1,1,0,0,0,0|2,0,0]=4 529 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [1,1,0,0,0,0|2,0,0]=4 530 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [1,1,0,0,0,0|2,0,0]=4 531 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [1,1,0,0,0,0|1,0,0]=3 532 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [1,1,0,0,0,0|1,0,0]=3 533 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [1,1,0,0,0,0|1,0,0]=3 534 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [1,1,0,0,0,0|1,0,0]=3 535 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [1,1,0,0,0,0|1,0,0]=3 536 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [1,1,0,0,0,0|2,0,0]=4 537 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [1,1,0,0,0,0|2,0,0]=4 538 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [1,1,0,0,0,0|2,0,0]=4 539 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [1,1,0,0,0,0|2,0,0]=4 540 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [1,1,0,0,0,0|2,0,0]=4 541 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [1,1,0,0,0,0|2,0,0]=4 542 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [1,1,0,0,0,0|2,0,0]=4 543 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [1,1,0,0,0,0|2,0,0]=4 544 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [1,1,0,0,0,0|2,0,0]=4 546 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [1,1,0,0,0,0|2,0,0]=4 547 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [1,1,0,0,0,0|2,0,0]=4 548 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [1,1,0,0,0,0|1,1,0]=4 549 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [1,1,0,0,0,0|1,1,0]=4 550 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [1,1,0,0,0,0|1,1,0]=4 551 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [1,1,0,0,0,0|1,1,0]=4 552 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [1,1,0,0,0,0|1,1,0]=4 553 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [1,1,0,0,0,0|1,1,0]=4 554 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [1,1,0,0,0,0|1,1,0]=4 555 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [1,1,0,0,0,0|1,0,0]=3 557 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [1,1,0,0,0,0|2,0,0]=4 558 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [1,1,0,0,0,0|2,0,0]=4 559 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [1,1,0,0,0,0|1,0,0]=3 560 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [1,1,0,0,0,0|1,1,0]=4 561 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [1,1,0,0,0,0|1,1,0]=4 562 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [1,1,0,0,0,0|2,0,0]=4 563 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [1,1,0,0,0,0|2,0,0]=4 564 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [1,1,0,0,0,0|2,0,0]=4 565 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [1,1,0,0,0,0|2,0,0]=4 567 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [1,1,0,0,0,0|2,0,0]=4 568 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [1,1,0,0,0,0|1,0,0]=3 571 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [1,1,0,0,0,0|2,0,0]=4 573 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [1,1,0,0,0,0|2,0,0]=4 574 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [1,1,0,0,0,0|2,0,0]=4 575 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [1,1,0,0,0,0|2,0,0]=4 576 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [1,1,0,0,0,0|1,0,0]=3 579 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [1,1,0,0,0,0|2,0,0]=4 580 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [1,1,0,0,0,0|2,0,0]=4 581 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [1,1,0,0,0,0|2,0,0]=4 582 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [1,1,0,0,0,0|1,0,0]=3 588 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [1,1,0,0,0,0|2,0,0]=4 589 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [1,1,0,0,0,0|2,0,0]=4 590 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [1,1,0,0,0,0|2,0,0]=4 591 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [1,1,0,0,0,0|2,0,0]=4 594 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [1,1,0,0,0,0|2,0,0]=4 597 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [1,1,0,0,0,0|2,0,0]=4 598 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [1,1,0,0,0,0|1,0,0]=3 599 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [1,1,0,0,0,0|2,0,0]=4 601 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [1,1,0,0,0,0|2,0,0]=4 602 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [1,1,0,0,0,0|2,0,0]=4 603 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [1,1,0,0,0,0|1,0,0]=3 604 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [1,1,0,0,0,0|1,0,0]=3 605 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [1,1,0,0,0,0|2,0,0]=4 606 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [1,1,0,0,0,0|2,0,0]=4 607 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [1,1,0,0,0,0|2,0,0]=4 610 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [1,1,0,0,0,0|2,0,0]=4 611 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [1,1,0,0,0,0|2,0,0]=4 612 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [1,1,0,0,0,0|2,0,0]=4 613 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [1,1,0,0,0,0|2,0,0]=4 615 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [1,1,0,0,0,0|2,0,0]=4 616 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [1,1,0,0,0,0|2,0,0]=4 617 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [1,1,0,0,0,0|1,0,0]=3 620 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [1,1,0,0,0,0|2,0,0]=4 622 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [1,1,0,0,0,0|2,0,0]=4 624 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [1,1,0,0,0,0|1,0,0]=3 628 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [1,1,0,0,0,0|1,0,0]=3 632 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [1,1,0,0,0,0|2,0,0]=4 633 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [1,1,0,0,0,0|2,0,0]=4 634 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [1,1,0,0,0,0|2,0,0]=4 635 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [1,1,0,0,0,0|2,0,0]=4 636 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [1,1,0,0,0,0|1,0,0]=3 637 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [1,1,0,0,0,0|1,0,0]=3 638 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [1,1,0,0,0,0|2,0,0]=4 639 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [1,1,0,0,0,0|2,0,0]=4 640 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [1,1,0,0,0,0|2,0,0]=4 642 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [1,1,0,0,0,0|2,0,0]=4 643 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [1,1,0,0,0,0|2,0,0]=4 645 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [1,1,0,0,0,0|2,0,0]=4 646 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [1,1,0,0,0,0|2,0,0]=4 647 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [1,1,0,0,0,0|2,0,0]=4 649 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [1,1,0,0,0,0|2,0,0]=4 653 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [1,1,0,0,0,0|2,0,0]=4 654 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [1,1,0,0,0,0|2,0,0]=4 655 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [1,1,0,0,0,0|2,0,0]=4 656 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [1,1,0,0,0,0|2,0,0]=4 658 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [1,1,0,0,0,0|2,0,0]=4 659 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [1,1,0,0,0,0|1,0,0]=3 660 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [1,1,0,0,0,0|2,0,0]=4 661 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [1,1,0,0,0,0|2,0,0]=4 662 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [1,1,0,0,0,0|2,0,0]=4 663 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 664 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [1,1,0,0,0,0|2,0,0]=4 666 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 670 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 671 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [1,1,0,0,0,0|2,0,0]=4 672 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 673 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 674 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 675 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [1,1,0,0,0,0|2,0,0]=4 676 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 677 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 678 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 679 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 680 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 681 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [1,1,0,0,0,0|1,0,0]=3 682 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 683 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [1,1,0,0,0,0|2,0,0]=4 684 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [1,1,0,0,0,0|0,0,0]=2 685 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [1,1,0,0,0,0|1,0,0]=3 686 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [1,1,0,0,0,0|1,0,0]=3 687 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [1,1,0,0,0,0|2,0,0]=4 688 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [1,1,0,0,0,0|1,0,0]=3 689 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [1,1,0,0,0,0|2,0,0]=4 690 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [1,1,0,0,0,0|2,0,0]=4 691 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [1,1,0,0,0,0|1,0,0]=3 692 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [1,1,0,0,0,0|2,0,0]=4 695 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [1,1,0,0,0,0|2,0,0]=4 696 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [1,1,0,0,0,0|2,0,0]=4 697 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [1,1,0,0,0,0|2,0,0]=4 698 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [1,1,0,0,0,0|2,0,0]=4 699 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [1,1,0,0,0,0|2,0,0]=4 700 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [1,1,0,0,0,0|1,0,0]=3 701 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [1,1,0,0,0,0|1,0,0]=3 702 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [1,1,0,0,0,0|1,0,0]=3 703 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [1,1,0,0,0,0|1,0,0]=3 704 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [1,1,0,0,0,0|1,0,0]=3 705 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [1,1,0,0,0,0|2,0,0]=4 706 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [1,1,0,0,0,0|2,0,0]=4 707 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [1,1,0,0,0,0|2,0,0]=4 708 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [1,1,0,0,0,0|2,0,0]=4 709 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [1,1,0,0,0,0|2,0,0]=4 710 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [1,1,0,0,0,0|2,0,0]=4 711 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [1,1,0,0,0,0|2,0,0]=4 712 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [1,1,0,0,0,0|2,0,0]=4 713 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [1,1,0,0,0,0|2,0,0]=4 714 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [1,1,0,0,0,0|2,0,0]=4 715 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [1,1,0,0,0,0|2,0,0]=4 716 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [1,1,0,0,0,0|2,0,0]=4 717 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [1,1,0,0,0,0|2,0,0]=4 719 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [1,1,0,0,0,0|1,0,0]=3 720 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [1,1,0,0,0,0|1,0,1]=4 721 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [1,1,0,0,0,0|1,0,1]=4 722 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [1,1,0,0,0,0|2,0,0]=4 723 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [1,1,0,0,0,0|2,0,0]=4 727 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [1,1,0,0,0,0|2,0,0]=4 729 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [1,1,0,0,0,0|1,0,0]=3 730 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [1,1,0,0,0,0|2,0,0]=4 731 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [1,1,0,0,0,0|2,0,0]=4 732 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [1,1,0,0,0,0|2,0,0]=4 733 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [1,1,0,0,0,0|2,0,0]=4 736 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [1,1,0,0,0,0|2,0,0]=4 738 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [1,1,0,0,0,0|2,0,0]=4 739 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [1,1,0,0,0,0|2,0,0]=4 742 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [1,1,0,0,0,0|2,0,0]=4 744 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [1,1,0,0,0,0|2,0,0]=4 745 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [1,1,0,0,0,0|2,0,0]=4 746 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [1,1,0,0,0,0|2,0,0]=4 747 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [1,1,0,0,0,0|2,0,0]=4 748 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [1,1,0,0,0,0|2,0,0]=4 750 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [1,1,0,0,0,0|2,0,0]=4 751 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [1,1,0,0,0,0|2,0,0]=4 752 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [1,1,0,0,0,0|2,0,0]=4 753 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [1,1,0,0,0,0|2,0,0]=4 754 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [1,1,0,0,0,0|1,0,0]=3 755 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [1,1,0,0,0,0|2,0,0]=4 756 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [1,1,0,0,0,0|2,0,0]=4 757 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [1,1,0,0,0,0|2,0,0]=4 758 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [1,1,0,0,0,0|2,0,0]=4 759 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [1,1,0,0,0,0|2,0,0]=4 760 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [1,1,0,0,0,0|2,0,0]=4 761 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [1,1,0,0,0,0|2,0,0]=4 762 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [1,1,0,0,0,0|2,0,0]=4 763 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [1,1,0,0,0,0|2,0,0]=4 764 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [1,1,0,0,0,0|2,0,0]=4 765 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [1,1,0,0,0,0|2,0,0]=4 766 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [1,1,0,0,0,0|2,0,0]=4 768 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [1,1,0,0,0,0|2,0,0]=4 770 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [1,1,0,0,0,0|2,0,0]=4 771 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [1,1,0,0,0,0|2,0,0]=4 772 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [1,1,0,0,0,0|2,0,0]=4 773 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [1,1,0,0,0,0|2,0,0]=4 774 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [1,1,0,0,0,0|2,0,0]=4 775 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [1,1,0,0,0,0|2,0,0]=4 776 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [1,1,0,0,0,0|2,0,0]=4 780 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [1,1,0,0,0,0|2,0,0]=4 782 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [1,1,0,0,0,0|2,0,0]=4 783 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [1,1,0,0,0,0|1,0,0]=3 784 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [1,1,0,0,0,0|2,0,0]=4 785 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [1,1,0,0,0,0|2,0,0]=4 786 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [1,1,0,0,0,0|2,0,0]=4 787 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [1,1,0,0,0,0|2,0,0]=4 788 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [1,1,0,0,0,0|2,0,0]=4 789 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [1,1,0,0,0,0|2,0,0]=4 790 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [1,1,0,0,0,0|2,0,0]=4 791 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [1,1,0,0,0,0|1,0,0]=3 792 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.5 C=Cc1ccc(cc1)C(N)CO 271570a_100011290941_100000734186 [1,1,0,0,0,0|1,0,1]=4 794 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [1,1,0,0,0,0|1,0,1]=4 795 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [1,1,0,0,0,0|1,0,1]=4 796 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [1,1,0,0,0,0|1,0,1]=4 797 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [1,1,0,0,0,0|0,1,1]=4 798 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [1,1,0,0,0,0|0,1,1]=4 799 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [1,1,0,0,0,0|1,0,1]=4 800 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [1,1,0,0,0,0|0,1,1]=4 801 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [1,1,0,0,0,0|0,1,1]=4 802 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [1,1,0,0,0,0|1,0,0]=3 803 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [1,1,0,0,0,0|1,0,1]=4 804 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [1,1,0,0,0,0|1,0,1]=4 805 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [1,1,0,0,0,0|1,0,1]=4 806 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [1,1,0,0,0,0|1,0,1]=4 807 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,1,0,0,0,0|1,0,1]=4 808 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [1,1,0,0,0,0|1,0,1]=4 809 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [1,1,0,0,0,0|1,0,1]=4 810 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [1,1,0,0,0,0|1,0,1]=4 812 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [1,1,0,0,0,0|1,0,1]=4 813 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [1,1,0,0,0,0|1,0,1]=4 814 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [1,1,0,0,0,0|1,0,1]=4 815 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [1,1,0,0,0,0|1,0,1]=4 816 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [1,1,0,0,0,0|1,0,1]=4 817 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,1,0,0,0,0|1,0,1]=4 818 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [1,1,0,0,0,0|1,0,1]=4 819 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [1,1,0,0,0,0|1,0,1]=4 820 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [1,1,0,0,0,0|1,0,1]=4 821 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [1,1,0,0,0,0|1,0,1]=4 822 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [1,1,0,0,0,0|2,0,0]=4 823 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [1,1,0,0,0,0|2,0,0]=4 824 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [1,1,0,0,0,0|2,0,0]=4 825 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [1,1,0,0,0,0|1,0,1]=4 826 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [1,1,0,0,0,0|1,0,1]=4 827 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [1,1,0,0,0,0|1,0,1]=4 828 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [1,1,0,0,0,0|1,0,1]=4 829 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [1,1,0,0,0,0|1,0,1]=4 830 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [1,1,0,0,0,0|0,0,1]=3 831 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [1,1,0,0,0,0|1,0,1]=4 832 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [1,1,0,0,0,0|1,0,1]=4 833 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [1,1,0,0,0,0|1,0,1]=4 834 B12R1.1703 Cc1cc(ccc1[C@H](N)CO)O 271570a_203496583355_100138412551 [1,1,0,0,0,0|0,0,1]=3 835 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [1,1,0,0,0,0|2,0,0]=4 836 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [1,1,0,0,0,0|2,0,0]=4 837 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [1,1,0,0,0,0|1,0,0]=3 838 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [1,1,0,0,0,0|2,0,0]=4 839 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [1,1,0,0,0,0|2,0,0]=4 840 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [1,1,0,0,0,0|2,0,0]=4 841 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [1,1,0,0,0,0|2,0,0]=4 842 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [1,1,0,0,0,0|2,0,0]=4 843 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [1,1,0,0,0,0|2,0,0]=4 844 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 845 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 846 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [1,1,0,0,0,0|2,0,0]=4 847 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [1,1,0,0,0,0|2,0,0]=4 848 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 849 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 850 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [1,1,0,0,0,0|2,0,0]=4 851 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [1,1,0,0,0,0|2,0,0]=4 852 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [1,1,0,0,0,0|1,0,1]=4 853 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [1,1,0,0,0,0|2,0,0]=4 854 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [1,1,0,0,0,0|1,0,1]=4 855 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [1,1,0,0,0,0|2,0,0]=4 856 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [1,1,0,0,0,0|2,0,0]=4 857 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [1,1,0,0,0,0|2,0,0]=4 858 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [1,1,0,0,0,0|2,0,0]=4 859 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [1,1,0,0,0,0|2,0,0]=4 860 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [1,1,0,0,0,0|2,0,0]=4 861 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [1,1,0,0,0,0|2,0,0]=4 862 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [1,1,0,0,0,0|2,0,0]=4 863 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [1,1,0,0,0,0|2,0,0]=4 864 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [1,1,0,0,0,0|2,0,0]=4 866 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [1,1,0,0,0,0|2,0,0]=4 867 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [1,1,0,0,0,0|2,0,0]=4 868 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [1,1,0,0,0,0|2,0,0]=4 870 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [1,1,0,0,0,0|2,0,0]=4 871 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [1,1,0,0,0,0|2,0,0]=4 872 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [1,1,0,0,0,0|2,0,0]=4 873 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [1,1,0,0,0,0|2,0,0]=4 874 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [1,1,0,0,0,0|2,0,0]=4 875 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [1,1,0,0,0,0|2,0,0]=4 876 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [1,1,0,0,0,0|2,0,0]=4 878 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [1,1,0,0,0,0|2,0,0]=4 879 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [1,1,0,0,0,0|2,0,0]=4 880 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [1,1,0,0,0,0|2,0,0]=4 881 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [1,1,0,0,0,0|2,0,0]=4 882 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [1,1,0,0,0,0|2,0,0]=4 883 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000070787_100000034625 [1,1,0,0,0,0|2,0,0]=4 884 B12R1.253 CC(=O)C(C)(C)c1ccccc1 1458a_100000211857_200000210301 [1,1,0,0,0,0|2,0,0]=4 885 B12R1.253 CC(=O)C(F)(F)c1ccccc1 1458a_100000070787_100000036403 [1,1,0,0,0,0|2,0,0]=4 886 B12R1.253 CC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B12R1.253 CC(C)(C(=O)[13CH3])c1ccccc1 1458a_100000211857_200025704644 [1,1,0,0,0,0|2,0,0]=4 888 B12R1.253 C[C@](O)(C(=O)[13CH3])c1ccccc1 1458a_100000753667_200025704644 [1,1,0,0,0,0|2,0,0]=4 889 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [1,1,0,0,0,0|2,0,0]=4 890 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [1,1,0,0,0,0|2,0,0]=4 891 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [1,1,0,0,0,0|2,0,0]=4 892 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [1,1,0,0,0,0|2,0,0]=4 893 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [1,1,0,0,0,0|2,0,0]=4 894 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [1,1,0,0,0,0|1,0,0]=3 895 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [1,1,0,0,0,0|1,0,0]=3 896 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [1,1,0,0,0,0|1,0,0]=3 897 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [1,1,0,0,0,0|1,0,0]=3 898 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [1,1,0,0,0,0|0,0,0]=2 899 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [1,1,0,0,0,0|1,0,0]=3 900 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [1,1,0,0,0,0|1,0,0]=3 901 B12R1.478 CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200000210301 [1,1,0,0,0,0|0,0,2]=4 902 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [1,1,0,0,0,0|1,0,1]=4 903 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [1,1,0,0,0,0|2,0,0]=4 904 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [1,1,0,0,0,0|2,0,0]=4 905 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [1,1,0,0,0,0|2,0,0]=4 906 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [1,1,0,0,0,0|2,0,0]=4 907 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [1,1,0,0,0,0|2,0,0]=4 908 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [1,1,0,0,0,0|2,0,0]=4 909 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [1,1,0,0,0,0|2,0,0]=4 910 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [1,1,0,0,0,0|2,0,0]=4 911 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [1,1,0,0,0,0|1,0,1]=4 912 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [1,1,0,0,0,0|2,0,0]=4 913 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [1,1,0,0,0,0|0,0,0]=2 914 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [1,1,0,0,0,0|1,0,0]=3 915 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [1,1,0,0,0,0|1,0,0]=3 916 B12R1.478 [13CH3]N[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_200025704644 [1,1,0,0,0,0|0,0,2]=4 917 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [1,1,0,0,0,0|2,0,0]=4 918 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [1,1,0,0,0,0|2,0,0]=4 919 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [1,1,0,0,0,0|2,0,0]=4 920 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [1,1,0,0,0,0|2,0,0]=4 921 B14R1.2 COc1ccc(cc1)N(C)CC(=O)O 269956a_200011202415_200000210301 [0,1,0,0,0,1|2,0,0]=4 922 B14R1.2 COc1ccc(cc1)N([13CH3])CC(=O)O 269956a_200011202415_200025704644 [0,1,0,0,0,1|2,0,0]=4 923 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 11a_100011830352_100015343762 [0,1,0,0,0,1|2,0,0]=4 924 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 1626a_100011830352_100015343762 [0,1,0,0,0,1|2,0,0]=4 925 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 240690a_100011830352_100015343762 [0,1,0,0,0,1|2,0,0]=4 926 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 527a_100011830352_100103153847 [0,1,0,0,0,1|2,0,0]=4 927 B14R1.10 C=CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_200121576911 [0,1,0,0,0,1|2,0,0]=4 928 B14R1.10 CCC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100000210414 [0,1,0,0,0,1|2,0,0]=4 929 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 2708a_100161106496_106832991635 [0,1,0,0,0,1|2,0,0]=4 930 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100102657272_100161106496 [0,1,0,0,0,1|2,0,0]=4 931 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 273464a_100161106496_100102657272 [0,1,0,0,0,1|2,0,0]=4 932 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_100161106496_100102657272 [0,1,0,0,0,1|2,0,0]=4 933 B14R1.10 CNC(=O)N[C@@H](C)c1ccc(cc1)O 512a_106832991638_100161106496 [0,1,0,0,0,1|2,0,0]=4 934 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747449 [0,1,0,0,0,1|1,0,1]=4 935 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100014373347 [0,1,0,0,0,1|1,0,1]=4 936 B14R1.10 COC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000736623 [0,1,0,0,0,1|0,0,0]=2 937 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747449 [0,1,0,0,0,1|2,0,0]=4 938 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000747449 [0,1,0,0,0,1|2,0,0]=4 939 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Br 240690a_100000720352_100000210174 [0,1,0,0,0,1|2,0,0]=4 940 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Br 527a_100000720352_100000210174 [0,1,0,0,0,1|2,0,0]=4 941 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Cl 240690a_100015205461_100000210174 [0,1,0,0,0,1|2,0,0]=4 942 B14R1.10 C[C@@H](NC(=O)CO)c1ccc(cc1)Cl 527a_100015205461_100000210174 [0,1,0,0,0,1|2,0,0]=4 943 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)F 240690a_100025705893_100000210174 [0,1,0,0,0,1|2,0,0]=4 944 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)F 527a_100025705893_100000210174 [0,1,0,0,0,1|2,0,0]=4 945 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)I 240690a_100000753911_100000210174 [0,1,0,0,0,1|2,0,0]=4 946 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)I 527a_100000753911_100000210174 [0,1,0,0,0,1|2,0,0]=4 947 B14R1.10 C[C@H](NC(=O)CO)c1ccc(cc1)O 240690a_100161106496_100000210174 [0,1,0,0,0,1|1,0,0]=3 948 B14R1.10 Cc1ccc(cc1)[C@@H](C)NC(=O)CO 240690a_100016988085_100000210174 [0,1,0,0,0,1|2,0,0]=4 949 B14R1.10 Cc1ccc(cc1)[C@@H](C)NC(=O)CO 527a_100016988085_100000210174 [0,1,0,0,0,1|2,0,0]=4 950 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)O 1458a_100000210174_100009814261 [0,1,0,0,0,1|1,0,1]=4 951 B14R1.10 O=C(CO)CC(O)c1ccc(cc1)Cl 1458a_100000210174_200011996143 [0,1,0,0,0,1|2,0,0]=4 952 B14R1.10 O=C(CO)C[C@H](O)c1ccc(cc1)F 1458a_100000210174_100000720402 [0,1,0,0,0,1|2,0,0]=4 953 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 1626a_100015187210_100015343762 [0,1,0,0,0,1|2,0,0]=4 954 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 240690a_100015187210_100015343762 [0,1,0,0,0,1|2,0,0]=4 955 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)O 527a_100015187210_100103153847 [0,1,0,0,0,1|2,0,0]=4 956 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200000210301 [0,1,0,0,0,1|1,0,0]=3 957 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)C 269956a_100000183803_200000210301 [0,1,0,0,0,1|1,0,0]=3 958 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200000210301 [0,1,0,0,0,1|1,0,0]=3 959 B14R1.1019 CNC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200000210301 [0,1,0,0,0,1|0,0,0]=2 960 B14R1.1019 CN[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200000210301 [0,1,0,0,0,1|1,0,0]=3 961 B14R1.1019 Cc1ccc(cc1)C(CC(=O)O)N[13CH3] 269956a_100000183803_200025704644 [0,1,0,0,0,1|1,0,0]=3 962 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)Br 269956a_100000230149_200025704644 [0,1,0,0,0,1|1,0,0]=3 963 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)F 269956a_100000183810_200025704644 [0,1,0,0,0,1|1,0,0]=3 964 B14R1.1019 [13CH3]NC(CC(=O)O)c1ccc(cc1)O 269956a_100000023953_200025704644 [0,1,0,0,0,1|0,0,0]=2 965 B14R1.1019 [13CH3]N[C@H](CC(=O)O)c1ccc(cc1)Cl 269956a_102495366484_200025704644 [0,1,0,0,0,1|1,0,0]=3 966 B14R1.3 CC(=O)C(C)Nc1ccc(cc1)CO 2230a_100011215238_100009814033 [0,1,0,0,0,1|2,0,0]=4 967 B14R1.3 CC(=O)C(C)Sc1ccc(cc1)CO 62a_100000690907_100009814033 [0,1,0,0,0,1|2,0,0]=4 968 B14R1.3 CC(=O)C(C)Sc1ccc(cc1)CO 62a_100009814033_100000690907 [0,1,0,0,0,1|2,0,0]=4 969 B14R1.3 CC(Nc1ccc(cc1)CO)C(=O)N 2230a_100011215238_100000702099 [0,1,0,0,0,1|2,0,0]=4 970 B14R1.3 CC(Nc1ccc(cc1)CO)C(=O)N 34a_100011215238_100000702099 [0,1,0,0,0,1|2,0,0]=4 971 B14R1.3 CC(Oc1ccc(cc1)CO)C(=O)N 34a_100000211755_100000702099 [0,1,0,0,0,1|2,0,0]=4 972 B14R1.3 CC(Oc1ccc(cc1)O[13CH3])C(=O)[O-] 34a_203549785325_200025704644 [0,1,0,0,0,1|1,0,1]=4 973 B14R1.3 CC(Sc1ccc(cc1)CO)C(=O)N 62a_100000690907_100000702099 [0,1,0,0,0,1|2,0,0]=4 974 B14R1.3 CC(Sc1ccc(cc1)CO)C(=O)N 62a_100000702099_100000690907 [0,1,0,0,0,1|2,0,0]=4 975 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200000210301 [0,1,0,0,0,1|1,0,0]=3 976 B14R1.3 COc1ccc(cc1)NC(C)C(=O)N 34a_100000184247_100000702099 [0,1,0,0,0,1|2,0,0]=4 977 B14R1.3 COc1ccc(cc1)NC(F)C(=O)N 34a_100000184247_100009813875 [0,1,0,0,0,1|2,0,0]=4 978 B14R1.3 COc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000184247_100020610796 [0,1,0,0,0,1|1,0,1]=4 979 B14R1.3 COc1ccc(cc1)OC(C)C(=O)C 1458a_100000188420_200000210301 [0,1,0,0,0,1|2,0,0]=4 980 B14R1.3 COc1ccc(cc1)OC(C)C(=O)N 34a_100000210503_100000702099 [0,1,0,0,0,1|2,0,0]=4 981 B14R1.3 COc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000188420_200025704644 [0,1,0,0,0,1|2,0,0]=4 982 B14R1.3 COc1ccc(cc1)OC(C)C(=O)[O-] 34a_203549785325_200000210301 [0,1,0,0,0,1|1,0,1]=4 983 B14R1.3 COc1ccc(cc1)OC(F)C(=O)N 34a_100000210503_100009813875 [0,1,0,0,0,1|2,0,0]=4 984 B14R1.3 COc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210503_100020610796 [0,1,0,0,0,1|1,0,1]=4 985 B14R1.3 COc1ccc(cc1)SC(C)C(=O)C 1458a_100000230843_200000210301 [0,1,0,0,0,1|2,0,0]=4 986 B14R1.3 COc1ccc(cc1)SC(C)C(=O)C 62a_100009814033_100000171711 [0,1,0,0,0,1|2,0,0]=4 987 B14R1.3 COc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000171711 [0,1,0,0,0,1|2,0,0]=4 988 B14R1.3 COc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000230843_200025704644 [0,1,0,0,0,1|2,0,0]=4 989 B14R1.3 COc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000171711 [0,1,0,0,0,1|2,0,0]=4 990 B14R1.3 COc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000171711 [0,1,0,0,0,1|1,0,1]=4 991 B14R1.3 NC(=O)C(F)Nc1ccc(cc1)CO 2230a_100011215238_100009813875 [0,1,0,0,0,1|2,0,0]=4 992 B14R1.3 NC(=O)C(F)Nc1ccc(cc1)CO 34a_100011215238_100009813875 [0,1,0,0,0,1|2,0,0]=4 993 B14R1.3 NC(=O)C(F)Oc1ccc(cc1)CO 34a_100000211755_100009813875 [0,1,0,0,0,1|2,0,0]=4 994 B14R1.3 NC(=O)C(F)Sc1ccc(cc1)CO 62a_100000690907_100009813875 [0,1,0,0,0,1|2,0,0]=4 995 B14R1.3 NC(=O)C(F)Sc1ccc(cc1)CO 62a_100009813875_100000690907 [0,1,0,0,0,1|2,0,0]=4 996 B14R1.3 O=C([O-])C(F)Nc1ccc(cc1)CO 34a_100011215238_100020610796 [0,1,0,0,0,1|1,0,1]=4 997 B14R1.3 O=C([O-])C(F)Oc1ccc(cc1)CO 34a_100000211755_100020610796 [0,1,0,0,0,1|1,0,1]=4 998 B14R1.3 O=C([O-])C(F)Sc1ccc(cc1)CO 62a_100000690907_100020610796 [0,1,0,0,0,1|1,0,1]=4 999 B14R1.3 O=C([O-])C(F)Sc1ccc(cc1)CO 62a_100020610796_100000690907 [0,1,0,0,0,1|1,0,1]=4 1000 B14R1.3 [13CH3]Oc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200025704644 [0,1,0,0,0,1|1,0,0]=3 1001 B14R1.134 CC(Oc1ccc(cc1)O)C(=O)NN 271570a_203496583355_200000189480 [0,1,0,0,0,1|2,0,0]=4 1002 B14R1.134 CCC(=O)C(C)Sc1ccc(cc1)O 62a_100000742827_100000185759 [0,1,0,0,0,1|2,0,0]=4 1003 B14R1.134 CCC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_100000210202 [0,1,0,0,0,1|2,0,0]=4 1004 B14R1.134 CCC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_100000210202 [0,1,0,0,0,1|2,0,0]=4 1005 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 240690a_100000207500_100000210174 [0,1,0,0,0,1|2,0,0]=4 1006 B14R1.134 CN(Cc1ccc(cc1)O)C(=O)CO 527a_100000207500_100000210174 [0,1,0,0,0,1|2,0,0]=4 1007 B14R1.134 CNC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000731044 [0,1,0,0,0,1|2,0,0]=4 1008 B14R1.134 CNC(=O)C(C)Sc1ccc(cc1)O 62a_100000209862_100000185759 [0,1,0,0,0,1|2,0,0]=4 1009 B14R1.134 CNC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813575 [0,1,0,0,0,1|2,0,0]=4 1010 B14R1.134 CNC(=O)C(F)Sc1ccc(cc1)O 62a_100009813575_100000185759 [0,1,0,0,0,1|2,0,0]=4 1011 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100102657272_100015278814 [0,1,0,0,0,1|2,0,0]=4 1012 B14R1.134 CNC(=O)[C@@H](C)Oc1ccc(cc1)O 240690a_100102657272_100000005562 [0,1,0,0,0,1|2,0,0]=4 1013 B14R1.134 CNC(=O)[C@@H](C)Oc1ccc(cc1)O 527a_100102657272_100000005562 [0,1,0,0,0,1|2,0,0]=4 1014 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100000211248 [0,1,0,0,0,1|2,0,0]=4 1015 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 34a_100000210018_100000211248 [0,1,0,0,0,1|2,0,0]=4 1016 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)C 34a_100000124888_100000211248 [0,1,0,0,0,1|2,0,0]=4 1017 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000211248 [0,1,0,0,0,1|2,0,0]=4 1018 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 34a_100000210052_100000211248 [0,1,0,0,0,1|2,0,0]=4 1019 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)F 34a_100000185862_100000211248 [0,1,0,0,0,1|2,0,0]=4 1020 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100000211248 [0,1,0,0,0,1|2,0,0]=4 1021 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000211248 [0,1,0,0,0,1|1,0,0]=3 1022 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 34a_100000185759_100000211248 [0,1,0,0,0,1|2,0,0]=4 1023 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000211248 [0,1,0,0,0,1|2,0,0]=4 1024 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 34a_100000210336_100000211248 [0,1,0,0,0,1|2,0,0]=4 1025 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000211248 [0,1,0,0,0,1|2,0,0]=4 1026 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100000211248 [0,1,0,0,0,1|2,0,0]=4 1027 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000211248 [0,1,0,0,0,1|2,0,0]=4 1028 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)F 34a_100000210339_100000211248 [0,1,0,0,0,1|2,0,0]=4 1029 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100000211248 [0,1,0,0,0,1|2,0,0]=4 1030 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000211248 [0,1,0,0,0,1|2,0,0]=4 1031 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)N 34a_100000185829_100000211248 [0,1,0,0,0,1|2,0,0]=4 1032 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000211248_100000752885 [0,1,0,0,0,1|2,0,0]=4 1033 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100000211248 [0,1,0,0,0,1|2,0,0]=4 1034 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100000211248 [0,1,0,0,0,1|2,0,0]=4 1035 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000211248_100000186775 [0,1,0,0,0,1|2,0,0]=4 1036 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000211248_100000755918 [0,1,0,0,0,1|2,0,0]=4 1037 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100000211248 [0,1,0,0,0,1|2,0,0]=4 1038 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100000211248 [0,1,0,0,0,1|2,0,0]=4 1039 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211248_100000211213 [0,1,0,0,0,1|2,0,0]=4 1040 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100000211248 [0,1,0,0,0,1|2,0,0]=4 1041 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000211248_100000185761 [0,1,0,0,0,1|2,0,0]=4 1042 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)O 62a_100000211248_100000185759 [0,1,0,0,0,1|1,0,0]=3 1043 B14R1.134 COC(=O)C(C)Sc1ccc(cn1)O 62a_100000211248_100000744096 [0,1,0,0,0,1|2,0,0]=4 1044 B14R1.134 COC(=O)C(C)Sc1ccc(cn1)O 62a_100000685995_100000211248 [0,1,0,0,0,1|2,0,0]=4 1045 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [0,1,0,0,0,1|0,0,0]=2 1046 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [0,1,0,0,0,1|0,0,0]=2 1047 B14R1.134 C[C@@H](Oc1ccc(cc1)O)C(=O)CF 1458a_100000005562_100015361967 [0,1,0,0,0,1|2,0,0]=4 1048 B14R1.134 O=C(CF)C(O)Cc1ccc(cc1)O 1458a_100015278814_100015361967 [0,1,0,0,0,1|2,0,0]=4 1049 B14R1.536 CCC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000750255 [0,1,0,0,0,1|2,0,0]=4 1050 B14R1.536 CCC(Sc1ccc(cc1)O)C(=O)N 62a_100000750255_100000185759 [0,1,0,0,0,1|2,0,0]=4 1051 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 34a_100102657272_200009990494 [0,1,0,0,0,1|2,0,0]=4 1052 B14R1.536 CNC(Cc1ccc(cc1)Cl)C(=O)C 7a_106832991635_200009990494 [0,1,0,0,0,1|2,0,0]=4 1053 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200000210301 [0,1,0,0,0,1|1,0,0]=3 1054 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200000210301 [0,1,0,0,0,1|1,0,0]=3 1055 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_200025704644 [0,1,0,0,0,1|1,0,0]=3 1056 B14R1.536 [13CH3]N[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_200025704644 [0,1,0,0,0,1|1,0,0]=3 1057 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000179758 [0,1,0,0,0,1|2,0,0]=4 1058 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000179758 [0,1,0,0,0,1|2,0,0]=4 1059 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100009814033_100012361655 [0,1,0,0,0,1|2,0,0]=4 1060 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100009814033 [0,1,0,0,0,1|2,0,0]=4 1061 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)C)O 62a_100009814033_100000186361 [0,1,0,0,0,1|2,0,0]=4 1062 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100009814033_100012360047 [0,1,0,0,0,1|2,0,0]=4 1063 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100009814033 [0,1,0,0,0,1|2,0,0]=4 1064 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100000185481_100009814033 [0,1,0,0,0,1|2,0,0]=4 1065 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100009814033_100000185481 [0,1,0,0,0,1|2,0,0]=4 1066 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100000752626_100009814033 [0,1,0,0,0,1|2,0,0]=4 1067 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100009814033_100000752626 [0,1,0,0,0,1|2,0,0]=4 1068 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100009814033_100009813601 [0,1,0,0,0,1|2,0,0]=4 1069 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [0,1,0,0,0,1|2,0,0]=4 1070 B14R1.686 CC(Nc1ccc(c(c1)Br)O)C(=O)N 34a_100011534360_100000702099 [0,1,0,0,0,1|2,0,0]=4 1071 B14R1.686 CC(Nc1ccc(c(c1)Cl)O)C(=O)N 34a_100000744943_100000702099 [0,1,0,0,0,1|2,0,0]=4 1072 B14R1.686 CC(Nc1ccc(c(c1)F)O)C(=O)N 34a_100011220035_100000702099 [0,1,0,0,0,1|2,0,0]=4 1073 B14R1.686 CC(Nc1ccc(c(c1)F)O)C(=O)N 7a_100011220035_100000702099 [0,1,0,0,0,1|2,0,0]=4 1074 B14R1.686 CC(Nc1ccc(c(c1)O)O)C(=O)N 34a_100102946323_100000702099 [0,1,0,0,0,1|2,0,0]=4 1075 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100000702099_100012361655 [0,1,0,0,0,1|2,0,0]=4 1076 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100012361655_100000702099 [0,1,0,0,0,1|2,0,0]=4 1077 B14R1.686 CC(Sc1ccc(c(c1)Cl)O)C(=O)N 62a_100000702099_100012360047 [0,1,0,0,0,1|2,0,0]=4 1078 B14R1.686 CC(Sc1ccc(c(c1)Cl)O)C(=O)N 62a_100012360047_100000702099 [0,1,0,0,0,1|2,0,0]=4 1079 B14R1.686 CC(Sc1ccc(c(c1)F)O)C(=O)N 62a_100000185481_100000702099 [0,1,0,0,0,1|2,0,0]=4 1080 B14R1.686 CC(Sc1ccc(c(c1)F)O)C(=O)N 62a_100000702099_100000185481 [0,1,0,0,0,1|2,0,0]=4 1081 B14R1.686 CC(Sc1ccc(c(c1)N)O)C(=O)N 62a_100000702099_100000752626 [0,1,0,0,0,1|2,0,0]=4 1082 B14R1.686 CC(Sc1ccc(c(c1)N)O)C(=O)N 62a_100000752626_100000702099 [0,1,0,0,0,1|2,0,0]=4 1083 B14R1.686 CC(Sc1ccc(c(c1)O)O)C(=O)N 62a_100000702099_100009813601 [0,1,0,0,0,1|2,0,0]=4 1084 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 34a_100011218179_100000702099 [0,1,0,0,0,1|2,0,0]=4 1085 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 7a_100011218179_100000702099 [0,1,0,0,0,1|2,0,0]=4 1086 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 34a_100011218179_100009813875 [0,1,0,0,0,1|2,0,0]=4 1087 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 7a_100011218179_100009813875 [0,1,0,0,0,1|2,0,0]=4 1088 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)[O-] 34a_100011218179_100020610796 [0,1,0,0,0,1|1,0,1]=4 1089 B14R1.686 Cc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100000186361 [0,1,0,0,0,1|2,0,0]=4 1090 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100000186361 [0,1,0,0,0,1|2,0,0]=4 1091 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000186361 [0,1,0,0,0,1|1,0,1]=4 1092 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100009813875 [0,1,0,0,0,1|2,0,0]=4 1093 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Cl)O 34a_100000744943_100009813875 [0,1,0,0,0,1|2,0,0]=4 1094 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)O 34a_100011220035_100009813875 [0,1,0,0,0,1|2,0,0]=4 1095 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)O 7a_100011220035_100009813875 [0,1,0,0,0,1|2,0,0]=4 1096 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100009813875 [0,1,0,0,0,1|2,0,0]=4 1097 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100009813875_100012361655 [0,1,0,0,0,1|2,0,0]=4 1098 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100009813875 [0,1,0,0,0,1|2,0,0]=4 1099 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Cl)O 62a_100009813875_100012360047 [0,1,0,0,0,1|2,0,0]=4 1100 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Cl)O 62a_100012360047_100009813875 [0,1,0,0,0,1|2,0,0]=4 1101 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)F)O 62a_100000185481_100009813875 [0,1,0,0,0,1|2,0,0]=4 1102 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)F)O 62a_100009813875_100000185481 [0,1,0,0,0,1|2,0,0]=4 1103 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)N)O 62a_100000752626_100009813875 [0,1,0,0,0,1|2,0,0]=4 1104 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)N)O 62a_100009813875_100000752626 [0,1,0,0,0,1|2,0,0]=4 1105 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)O 62a_100009813875_100009813601 [0,1,0,0,0,1|2,0,0]=4 1106 B14R1.686 Nc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100000752626_100020610796 [0,1,0,0,0,1|1,0,1]=4 1107 B14R1.686 Nc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000752626 [0,1,0,0,0,1|1,0,1]=4 1108 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100020610796 [0,1,0,0,0,1|1,0,1]=4 1109 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Cl)O 34a_100000744943_100020610796 [0,1,0,0,0,1|1,0,1]=4 1110 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)F)O 34a_100011220035_100020610796 [0,1,0,0,0,1|1,0,1]=4 1111 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100020610796 [0,1,0,0,0,1|1,0,1]=4 1112 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100020610796 [0,1,0,0,0,1|1,0,1]=4 1113 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100020610796_100012361655 [0,1,0,0,0,1|1,0,1]=4 1114 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Cl)O 62a_100012360047_100020610796 [0,1,0,0,0,1|1,0,1]=4 1115 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Cl)O 62a_100020610796_100012360047 [0,1,0,0,0,1|1,0,1]=4 1116 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)F)O 62a_100000185481_100020610796 [0,1,0,0,0,1|1,0,1]=4 1117 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)F)O 62a_100020610796_100000185481 [0,1,0,0,0,1|1,0,1]=4 1118 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)O 62a_100020610796_100009813601 [0,1,0,0,0,1|1,0,1]=4 1119 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [0,1,0,0,0,1|2,0,0]=4 1120 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1Br)O 62a_100000701344_100009814033 [0,1,0,0,0,1|2,0,0]=4 1121 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1Br)O 62a_100009814033_100000701344 [0,1,0,0,0,1|2,0,0]=4 1122 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1C)O 62a_100009814033_100000690111 [0,1,0,0,0,1|2,0,0]=4 1123 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1Cl)O 62a_100000047559_100009814033 [0,1,0,0,0,1|2,0,0]=4 1124 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1Cl)O 62a_100009814033_100000047559 [0,1,0,0,0,1|2,0,0]=4 1125 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1F)O 62a_100000755031_100009814033 [0,1,0,0,0,1|2,0,0]=4 1126 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1F)O 62a_100009814033_100000755031 [0,1,0,0,0,1|2,0,0]=4 1127 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1N)O 62a_100009814033_100011999798 [0,1,0,0,0,1|2,0,0]=4 1128 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1N)O 62a_100011999798_100009814033 [0,1,0,0,0,1|2,0,0]=4 1129 B14R1.6049 CC(=O)C(C)Sc1ccc(cc1O)O 62a_100009814033_100009813921 [0,1,0,0,0,1|2,0,0]=4 1130 B14R1.6049 CC(Nc1ccc(cc1Br)O)C(=O)N 34a_100012001276_100000702099 [0,1,0,0,0,1|2,0,0]=4 1131 B14R1.6049 CC(Nc1ccc(cc1Cl)O)C(=O)N 34a_100011215599_100000702099 [0,1,0,0,0,1|2,0,0]=4 1132 B14R1.6049 CC(Nc1ccc(cc1F)O)C(=O)N 34a_100000759473_100000702099 [0,1,0,0,0,1|2,0,0]=4 1133 B14R1.6049 CC(Nc1ccc(cc1I)O)C(=O)N 34a_100010084370_100000702099 [0,1,0,0,0,1|2,0,0]=4 1134 B14R1.6049 CC(Nc1ccc(cc1O)O)C(=O)N 34a_100000106777_100000702099 [0,1,0,0,0,1|2,0,0]=4 1135 B14R1.6049 CC(Sc1ccc(cc1Br)O)C(=O)N 62a_100000701344_100000702099 [0,1,0,0,0,1|2,0,0]=4 1136 B14R1.6049 CC(Sc1ccc(cc1Br)O)C(=O)N 62a_100000702099_100000701344 [0,1,0,0,0,1|2,0,0]=4 1137 B14R1.6049 CC(Sc1ccc(cc1Cl)O)C(=O)N 62a_100000047559_100000702099 [0,1,0,0,0,1|2,0,0]=4 1138 B14R1.6049 CC(Sc1ccc(cc1Cl)O)C(=O)N 62a_100000702099_100000047559 [0,1,0,0,0,1|2,0,0]=4 1139 B14R1.6049 CC(Sc1ccc(cc1F)O)C(=O)N 62a_100000702099_100000755031 [0,1,0,0,0,1|2,0,0]=4 1140 B14R1.6049 CC(Sc1ccc(cc1F)O)C(=O)N 62a_100000755031_100000702099 [0,1,0,0,0,1|2,0,0]=4 1141 B14R1.6049 CC(Sc1ccc(cc1N)O)C(=O)N 62a_100000702099_100011999798 [0,1,0,0,0,1|2,0,0]=4 1142 B14R1.6049 CC(Sc1ccc(cc1N)O)C(=O)N 62a_100011999798_100000702099 [0,1,0,0,0,1|2,0,0]=4 1143 B14R1.6049 CC(Sc1ccc(cc1O)O)C(=O)N 62a_100000702099_100009813921 [0,1,0,0,0,1|2,0,0]=4 1144 B14R1.6049 Cc1cc(ccc1NC(C)C(=O)N)O 34a_100000756630_100000702099 [0,1,0,0,0,1|2,0,0]=4 1145 B14R1.6049 Cc1cc(ccc1NC(F)C(=O)N)O 34a_100000756630_100009813875 [0,1,0,0,0,1|2,0,0]=4 1146 B14R1.6049 Cc1cc(ccc1NC(F)C(=O)[O-])O 34a_100000756630_100020610796 [0,1,0,0,0,1|1,0,1]=4 1147 B14R1.6049 Cc1cc(ccc1SC(C)C(=O)N)O 62a_100000702099_100000690111 [0,1,0,0,0,1|2,0,0]=4 1148 B14R1.6049 Cc1cc(ccc1SC(F)C(=O)N)O 62a_100009813875_100000690111 [0,1,0,0,0,1|2,0,0]=4 1149 B14R1.6049 Cc1cc(ccc1SC(F)C(=O)[O-])O 62a_100020610796_100000690111 [0,1,0,0,0,1|1,0,1]=4 1150 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1Br)O 34a_100012001276_100009813875 [0,1,0,0,0,1|2,0,0]=4 1151 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1Cl)O 34a_100011215599_100009813875 [0,1,0,0,0,1|2,0,0]=4 1152 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1F)O 34a_100000759473_100009813875 [0,1,0,0,0,1|2,0,0]=4 1153 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1I)O 34a_100010084370_100009813875 [0,1,0,0,0,1|2,0,0]=4 1154 B14R1.6049 NC(=O)C(F)Nc1ccc(cc1O)O 34a_100000106777_100009813875 [0,1,0,0,0,1|2,0,0]=4 1155 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1Br)O 62a_100000701344_100009813875 [0,1,0,0,0,1|2,0,0]=4 1156 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1Br)O 62a_100009813875_100000701344 [0,1,0,0,0,1|2,0,0]=4 1157 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1Cl)O 62a_100000047559_100009813875 [0,1,0,0,0,1|2,0,0]=4 1158 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1Cl)O 62a_100009813875_100000047559 [0,1,0,0,0,1|2,0,0]=4 1159 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1F)O 62a_100000755031_100009813875 [0,1,0,0,0,1|2,0,0]=4 1160 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1F)O 62a_100009813875_100000755031 [0,1,0,0,0,1|2,0,0]=4 1161 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1N)O 62a_100009813875_100011999798 [0,1,0,0,0,1|2,0,0]=4 1162 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1N)O 62a_100011999798_100009813875 [0,1,0,0,0,1|2,0,0]=4 1163 B14R1.6049 NC(=O)C(F)Sc1ccc(cc1O)O 62a_100009813875_100009813921 [0,1,0,0,0,1|2,0,0]=4 1164 B14R1.6049 Nc1cc(ccc1SC(F)C(=O)[O-])O 62a_100011999798_100020610796 [0,1,0,0,0,1|1,0,1]=4 1165 B14R1.6049 Nc1cc(ccc1SC(F)C(=O)[O-])O 62a_100020610796_100011999798 [0,1,0,0,0,1|1,0,1]=4 1166 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1Br)O 34a_100012001276_100020610796 [0,1,0,0,0,1|1,0,1]=4 1167 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1Cl)O 34a_100011215599_100020610796 [0,1,0,0,0,1|1,0,1]=4 1168 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1F)O 34a_100000759473_100020610796 [0,1,0,0,0,1|1,0,1]=4 1169 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1I)O 34a_100010084370_100020610796 [0,1,0,0,0,1|1,0,1]=4 1170 B14R1.6049 O=C([O-])C(F)Nc1ccc(cc1O)O 34a_100000106777_100020610796 [0,1,0,0,0,1|1,0,1]=4 1171 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1Br)O 62a_100000701344_100020610796 [0,1,0,0,0,1|1,0,1]=4 1172 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1Br)O 62a_100020610796_100000701344 [0,1,0,0,0,1|1,0,1]=4 1173 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1Cl)O 62a_100000047559_100020610796 [0,1,0,0,0,1|1,0,1]=4 1174 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1Cl)O 62a_100020610796_100000047559 [0,1,0,0,0,1|1,0,1]=4 1175 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1F)O 62a_100000755031_100020610796 [0,1,0,0,0,1|1,0,1]=4 1176 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1F)O 62a_100020610796_100000755031 [0,1,0,0,0,1|1,0,1]=4 1177 B14R1.6049 O=C([O-])C(F)Sc1ccc(cc1O)O 62a_100020610796_100009813921 [0,1,0,0,0,1|1,0,1]=4 1178 B14R1.7626 CC(=O)C(C)(C)Sc1ccc(cc1)O 62a_100000075568_100000185759 [0,1,0,0,0,1|2,0,0]=4 1179 B14R1.7626 CC(C)(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702505 [0,1,0,0,0,1|2,0,0]=4 1180 B14R1.7626 CC(C)(Sc1ccc(cc1)O)C(=O)N 62a_100000702505_100000185759 [0,1,0,0,0,1|2,0,0]=4 1181 B14R1.7626 NC(=O)C(F)(F)Sc1ccc(cc1)O 62a_100009811971_100000185759 [0,1,0,0,0,1|2,0,0]=4 1182 B14R1.7626 O=C([O-])C(F)(F)Nc1ccc(cc1)O 34a_100000185829_100020612412 [0,1,0,0,0,1|1,0,1]=4 1183 B14R1.7626 O=C([O-])C(F)(F)Sc1ccc(cc1)O 62a_100000745680_100000185759 [0,1,0,0,0,1|1,0,1]=4 1184 B14R1.7 C=Cc1ccc(cc1)C(N)C(=O)OC 271570a_100011290941_100000747369 [0,2,0,0,0,0|1,0,0]=3 1185 B14R1.7 CCC(=O)C(C)c1ccc(cc1)OC 1458a_100000753396_100000210202 [0,2,0,0,0,0|2,0,0]=4 1186 B14R1.7 CCC(=O)C(O)c1ccc(cc1)OC 1458a_100011218652_100000210202 [0,2,0,0,0,0|2,0,0]=4 1187 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 11a_106832991635_100000753396 [0,2,0,0,0,0|2,0,0]=4 1188 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 1626a_100102657272_100000753396 [0,2,0,0,0,0|2,0,0]=4 1189 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 240690a_100102657272_100000753396 [0,2,0,0,0,0|2,0,0]=4 1190 B14R1.7 CNC(=O)C(C)c1ccc(cc1)OC 527a_100102657272_100000753396 [0,2,0,0,0,0|2,0,0]=4 1191 B14R1.7 CNC(=O)C(O)c1ccc(cc1)OC 240690a_100102657272_100011218652 [0,2,0,0,0,0|2,0,0]=4 1192 B14R1.7 COC(=O)C(=O)c1ccc(cc1)OC 34a_100010658548_200000210301 [0,2,0,0,0,0|1,0,1]=4 1193 B14R1.7 COC(=O)C(=O)c1ccc(cc1)O[13CH3] 34a_100010658548_200025704644 [0,2,0,0,0,0|1,0,1]=4 1194 B14R1.7 COC(=O)C(N)c1ccc(cc1)SC 62a_100000747369_200000210301 [0,2,0,0,0,0|0,1,0]=3 1195 B14R1.7 COC(=O)C(N)c1ccc(cc1)SC 62a_200000210301_100000747369 [0,2,0,0,0,0|0,1,0]=3 1196 B14R1.7 COC(=O)C(N)c1ccc(cc1)S[13CH3] 62a_100000747369_200025704644 [0,2,0,0,0,0|0,1,0]=3 1197 B14R1.7 COC(=O)C(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000747369 [0,2,0,0,0,0|0,1,0]=3 1198 B14R1.7 COC(=O)[C@H](N)c1ccc(cc1)OC 34a_100009816592_200000210301 [0,2,0,0,0,0|0,0,0]=2 1199 B14R1.7 COC(=O)[C@H](N)c1ccc(cc1)O[13CH3] 34a_100009816592_200025704644 [0,2,0,0,0,0|0,0,0]=2 1200 B14R1.7 COc1ccc(cc1)C(C)C(=O)CF 1458a_100000753396_100015361967 [0,2,0,0,0,0|2,0,0]=4 1201 B14R1.7 COc1ccc(cc1)C(O)C(=O)CF 1458a_100011218652_100015361967 [0,2,0,0,0,0|2,0,0]=4 1202 B14R1.7 COc1ccc(cc1)N(C)C(=O)CO 22a_100000220023_100000210174 [0,2,0,0,0,0|2,0,0]=4 1203 B14R1.7 COc1ccc(cc1)N(C)C(=O)CO 527a_100000220023_100000210174 [0,2,0,0,0,0|2,0,0]=4 1204 B14R1.35 C#CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000184674 [0,2,0,0,0,0|2,0,0]=4 1205 B14R1.35 C#CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000184674 [0,2,0,0,0,0|2,0,0]=4 1206 B14R1.35 C=CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210623 [0,2,0,0,0,0|2,0,0]=4 1207 B14R1.35 C=CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210623 [0,2,0,0,0,0|2,0,0]=4 1208 B14R1.35 CC(C(=O)CC#N)c1ccc(cc1)O 1458a_100000031422_100011214920 [0,2,0,0,0,0|2,0,0]=4 1209 B14R1.35 CC(C(=O)CCF)c1ccc(cc1)O 1458a_100000031422_100011217306 [0,2,0,0,0,0|2,0,0]=4 1210 B14R1.35 CC(C(=O)CCO)c1ccc(cc1)Br 1458a_100011216618_100000755118 [0,2,0,0,0,0|2,0,0]=4 1211 B14R1.35 CC(C(=O)CCO)c1ccc(cc1)Cl 1458a_100011216001_100000211926 [0,2,0,0,0,0|2,0,0]=4 1212 B14R1.35 CC(C(=O)CCO)c1ccc(cc1)Cl 1458a_100011216618_100000684792 [0,2,0,0,0,0|2,0,0]=4 1213 B14R1.35 CC(C(=O)CCO)c1ccc(cc1)F 1458a_100011216618_100000743420 [0,2,0,0,0,0|2,0,0]=4 1214 B14R1.35 CC(C(=O)CCO)c1ccc(cc1)F 1458a_100011435297_100000211926 [0,2,0,0,0,0|2,0,0]=4 1215 B14R1.35 CC(C(=O)CCO)c1ccc(cc1)O 1458a_100000031422_100000211926 [0,2,0,0,0,0|1,0,0]=3 1216 B14R1.35 CCCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210303 [0,2,0,0,0,0|2,0,0]=4 1217 B14R1.35 CCCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210303 [0,2,0,0,0,0|2,0,0]=4 1218 B14R1.35 CCNC(=O)C(C)c1ccc(cc1)O 240690a_100015525214_100000031422 [0,2,0,0,0,0|2,0,0]=4 1219 B14R1.35 CCNC(=O)C(O)c1ccc(cc1)O 240690a_100015525214_100011215213 [0,2,0,0,0,0|2,0,0]=4 1220 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100011512959 [0,2,0,0,0,0|1,0,1]=4 1221 B14R1.35 CCOC(=O)C(C)c1ccc(cc1)O 271570a_203496583355_100010077027 [0,2,0,0,0,0|1,0,0]=3 1222 B14R1.35 CN(C(=O)CCO)c1ccc(cc1)O 22a_100000182112_100011216618 [0,2,0,0,0,0|2,0,0]=4 1223 B14R1.35 CNNC(=O)C(C)c1ccc(cc1)O 22a_100016993582_100000031422 [0,2,0,0,0,0|2,0,0]=4 1224 B14R1.35 CNNC(=O)C(O)c1ccc(cc1)O 22a_100016993582_100011215213 [0,2,0,0,0,0|2,0,0]=4 1225 B14R1.35 COCC(=O)C(C)c1ccc(cc1)Br 1458a_100000210968_100000755118 [0,2,0,0,0,0|2,0,0]=4 1226 B14R1.35 COCC(=O)C(C)c1ccc(cc1)C 1458a_100000210968_100011261388 [0,2,0,0,0,0|2,0,0]=4 1227 B14R1.35 COCC(=O)C(C)c1ccc(cc1)Cl 1458a_100000210968_100000684792 [0,2,0,0,0,0|2,0,0]=4 1228 B14R1.35 COCC(=O)C(C)c1ccc(cc1)F 1458a_100000210968_100000743420 [0,2,0,0,0,0|2,0,0]=4 1229 B14R1.35 COCC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000210968 [0,2,0,0,0,0|2,0,0]=4 1230 B14R1.35 COCC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100000210968 [0,2,0,0,0,0|2,0,0]=4 1231 B14R1.35 Cc1ccc(cc1)C(C)C(=O)CCO 1458a_100000751627_100000211926 [0,2,0,0,0,0|2,0,0]=4 1232 B14R1.35 Cc1ccc(cc1)C(C)C(=O)CCO 1458a_100011216618_100011261388 [0,2,0,0,0,0|2,0,0]=4 1233 B14R1.35 Cc1ccc(cc1)[C@@H](O)C(=O)CCO 1458a_100009815954_100000211926 [0,2,0,0,0,0|2,0,0]=4 1234 B14R1.35 N#CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100011214920 [0,2,0,0,0,0|2,0,0]=4 1235 B14R1.35 O=C(CCF)C(O)c1ccc(cc1)O 1458a_100011215213_100011217306 [0,2,0,0,0,0|2,0,0]=4 1236 B14R1.35 O=C(CCO)C(F)c1ccc(cc1)Cl 1458a_100012277543_100000211926 [0,2,0,0,0,0|2,0,0]=4 1237 B14R1.35 O=C(CCO)C(O)c1ccc(cc1)Br 1458a_100000756554_100000211926 [0,2,0,0,0,0|2,0,0]=4 1238 B14R1.35 O=C(CCO)C(O)c1ccc(cc1)F 1458a_100000209909_100000211926 [0,2,0,0,0,0|2,0,0]=4 1239 B14R1.35 O=C(CCO)C(O)c1ccc(cc1)O 1458a_100011215213_100000211926 [0,2,0,0,0,0|1,0,0]=3 1240 B14R1.35 O=C(CCO)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000211926 [0,2,0,0,0,0|2,0,0]=4 1241 B14R1.710 CCN(C(=O)CO)c1ccc(cc1)O 22a_100011337800_100000210174 [0,2,0,0,0,0|2,0,0]=4 1242 B14R1.710 CNC(C(=O)OC)c1ccc(cc1)Cl 2230a_106832991635_100012355605 [0,2,0,0,0,0|1,0,0]=3 1243 B14R1.710 CNC(C(=O)OC)c1ccc(cc1)Cl 34a_100102657272_100012355605 [0,2,0,0,0,0|1,0,0]=3 1244 B14R1.710 CNC(C(=O)OC)c1ccc(cc1)Cl 7a_106832991635_100012355605 [0,2,0,0,0,0|1,0,0]=3 1245 B14R1.710 CNC(C(=O)OC)c1ccc(cc1)F 2230a_106832991635_100000239261 [0,2,0,0,0,0|1,0,0]=3 1246 B14R1.710 CNC(C(=O)OC)c1ccc(cc1)F 34a_100102657272_100000239261 [0,2,0,0,0,0|1,0,0]=3 1247 B14R1.710 CNC(C(=O)OC)c1ccc(cc1)F 7a_106832991635_100000239261 [0,2,0,0,0,0|1,0,0]=3 1248 B14R1.710 COC(=O)C(OC)c1ccc(cc1)Cl 34a_100011625908_200000210301 [0,2,0,0,0,0|2,0,0]=4 1249 B14R1.710 COC(=O)C(OC)c1ccc(cc1)Cl 34a_100138415774_100012355605 [0,2,0,0,0,0|2,0,0]=4 1250 B14R1.710 COC(=O)C(OC)c1ccc(cc1)F 34a_100011528829_200000210301 [0,2,0,0,0,0|2,0,0]=4 1251 B14R1.710 COC(=O)C(OC)c1ccc(cc1)F 34a_100138415774_100000239261 [0,2,0,0,0,0|2,0,0]=4 1252 B14R1.710 COC(=O)C(O[13CH3])c1ccc(cc1)Cl 34a_100011625908_200025704644 [0,2,0,0,0,0|2,0,0]=4 1253 B14R1.710 COC(=O)C(O[13CH3])c1ccc(cc1)F 34a_100011528829_200025704644 [0,2,0,0,0,0|2,0,0]=4 1254 B14R1.710 COC(=O)C(SC)c1ccc(cc1)Cl 62a_100012355605_200000210301 [0,2,0,0,0,0|2,0,0]=4 1255 B14R1.710 COC(=O)C(SC)c1ccc(cc1)Cl 62a_200000210301_100012355605 [0,2,0,0,0,0|2,0,0]=4 1256 B14R1.710 COC(=O)C(SC)c1ccc(cc1)F 62a_100000239261_200000210301 [0,2,0,0,0,0|2,0,0]=4 1257 B14R1.710 COC(=O)C(SC)c1ccc(cc1)F 62a_200000210301_100000239261 [0,2,0,0,0,0|2,0,0]=4 1258 B14R1.710 COC(=O)C(S[13CH3])c1ccc(cc1)Cl 62a_100012355605_200025704644 [0,2,0,0,0,0|2,0,0]=4 1259 B14R1.710 COC(=O)C(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100012355605 [0,2,0,0,0,0|2,0,0]=4 1260 B14R1.710 COC(=O)C(S[13CH3])c1ccc(cc1)F 62a_100000239261_200025704644 [0,2,0,0,0,0|2,0,0]=4 1261 B14R1.710 COC(=O)C(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000239261 [0,2,0,0,0,0|2,0,0]=4 1262 B14R1.1003 CCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210202 [0,2,0,0,0,0|2,0,0]=4 1263 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100102657272_200000032065 [0,2,0,0,0,0|2,0,0]=4 1264 B14R1.1003 O=C(CF)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100015361967 [0,2,0,0,0,0|2,0,0]=4 1265 B14R1.1013 CC(C)(C(=O)CF)c1ccc(cc1)O 1458a_100000721645_100015361967 [0,2,0,0,0,0|2,0,0]=4 1266 B14R1.1013 CCC(=O)C(C)(C)c1ccc(cc1)O 1458a_100000721645_100000210202 [0,2,0,0,0,0|2,0,0]=4 1267 B14R1.1013 CNC(=O)C(C)(C)c1ccc(cc1)O 240690a_100102657272_100000721645 [0,2,0,0,0,0|2,0,0]=4 1268 B14R1.1013 COC(=O)C(C)(C)c1ccc(cc1)O 271570a_203496583355_100009814657 [0,2,0,0,0,0|1,0,0]=3 1269 B14R1.2819 Cc1cc(ccc1N(C)C(=O)CO)O 22a_100161107805_100000210174 [0,2,0,0,0,0|2,0,0]=4 1270 B14R1.2819 Cc1cc(ccc1N(C)C(=O)CO)O 527a_100161107805_100000210174 [0,2,0,0,0,0|2,0,0]=4 1271 B14R1.8 CCC(C(=O)C)c1ccc(cc1)OC 1458a_200000687490_200000210301 [0,2,0,0,0,0|2,0,0]=4 1272 B14R1.8 CCC(C(=O)[13CH3])c1ccc(cc1)OC 1458a_200000687490_200025704644 [0,2,0,0,0,0|2,0,0]=4 1273 B14R1.8 CCc1ccc(cc1)C(NC)C(=O)O 269956a_200000761548_200000210301 [0,2,0,0,0,0|1,0,0]=3 1274 B14R1.8 CCc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_200000761548_200025704644 [0,2,0,0,0,0|1,0,0]=3 1275 B14R1.8 CNC(C(=O)O)c1ccc(cc1)OC 269956a_100000181765_200000210301 [0,2,0,0,0,0|0,0,0]=2 1276 B14R1.8 CNC(C(=O)O)c1ccc(cc1)SC 269956a_106359897980_200000210301 [0,2,0,0,0,0|0,1,0]=3 1277 B14R1.8 COc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100000181765_200025704644 [0,2,0,0,0,0|0,0,0]=2 1278 B14R1.8 CSc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_106359897980_200025704644 [0,2,0,0,0,0|0,1,0]=3 1279 B14R1.213 COc1ccc(cc1)C(C)(C)C(=O)C 1458a_100000689946_200000210301 [0,2,0,0,0,0|2,0,0]=4 1280 B14R1.213 COc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000689946_200025704644 [0,2,0,0,0,0|2,0,0]=4 1281 B14R1.213 COc1ccc(cc1)C(C)(O)C(=O)C 1458a_200011434898_200000210301 [0,2,0,0,0,0|2,0,0]=4 1282 B14R1.213 COc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_200011434898_200025704644 [0,2,0,0,0,0|2,0,0]=4 1283 B14R1.2970 CNC(C(=O)O)c1ccc(cc1Cl)Cl 269956a_100000741897_200000210301 [0,2,0,0,0,0|1,0,0]=3 1284 B14R1.2970 CNC(C(=O)O)c1ccc(cc1F)F 269956a_100000761551_200000210301 [0,2,0,0,0,0|1,0,0]=3 1285 B14R1.2970 [13CH3]NC(C(=O)O)c1ccc(cc1Cl)Cl 269956a_100000741897_200025704644 [0,2,0,0,0,0|1,0,0]=3 1286 B14R1.2970 [13CH3]NC(C(=O)O)c1ccc(cc1F)F 269956a_100000761551_200025704644 [0,2,0,0,0,0|1,0,0]=3 1287 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,2,0,0,0,0|2,0,0]=4 1288 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,2,0,0,0,0|2,0,0]=4 1289 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)C)F 269956a_200011615215_200000210301 [0,2,0,0,0,0|1,0,0]=3 1290 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200000210301 [0,2,0,0,0,0|1,0,0]=3 1291 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)Cl)F 269956a_100011934136_200000210301 [0,2,0,0,0,0|1,0,0]=3 1292 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200000210301 [0,2,0,0,0,0|1,0,0]=3 1293 B14R1.1032 Cc1cc(ccc1F)C(N[13CH3])C(=O)O 269956a_200011615215_200025704644 [0,2,0,0,0,0|1,0,0]=3 1294 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200025704644 [0,2,0,0,0,0|1,0,0]=3 1295 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)Cl)F 269956a_100011934136_200025704644 [0,2,0,0,0,0|1,0,0]=3 1296 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200025704644 [0,2,0,0,0,0|1,0,0]=3 1297 B14R1.3637 CC(N[13CH3])(C(=O)O)c1ccc(cc1)F 269956a_100011223815_200025704644 [0,2,0,0,0,0|1,0,0]=3 1298 B14R1.3637 CNC(C)(C(=O)O)c1ccc(cc1)F 269956a_100011223815_200000210301 [0,2,0,0,0,0|1,0,0]=3 1299 B14R1.508 CCNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_100000210202 [0,2,0,0,0,0|1,0,0]=3 1300 B14R1.508 CCNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_100000210202 [0,2,0,0,0,0|1,0,0]=3 1301 B14R1.508 CCNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_100000210202 [0,2,0,0,0,0|1,0,0]=3 1302 B14R1.508 CCNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_100000210202 [0,2,0,0,0,0|1,0,0]=3 1303 B14R1.508 CNC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_200000210301 [0,2,0,0,0,0|1,0,0]=3 1304 B14R1.508 Cc1ccc(cc1)C(NCF)C(=O)O 269956a_100138412518_100015361967 [0,2,0,0,0,0|1,0,0]=3 1305 B14R1.508 O=C(O)C(NCF)c1ccc(cc1)Br 269956a_100102946273_100015361967 [0,2,0,0,0,0|1,0,0]=3 1306 B14R1.508 O=C(O)C(NCF)c1ccc(cc1)Cl 269956a_100000761553_100015361967 [0,2,0,0,0,0|1,0,0]=3 1307 B14R1.508 O=C(O)C(NCF)c1ccc(cc1)F 269956a_100011215775_100015361967 [0,2,0,0,0,0|1,0,0]=3 1308 B14R1.508 [13CH3]NC[C@@H](C(=O)O)c1ccc(cc1)Cl 269956a_100015407067_200025704644 [0,2,0,0,0,0|1,0,0]=3 1309 B14R1.703 CC(=O)C(c1ccc(cc1)C)N(C)C 1458a_200015183742_200000210301 [0,2,0,0,0,0|2,0,0]=4 1310 B14R1.703 CC(=O)C(c1ccc(cc1)Cl)N(C)C 1458a_100000689845_200000210301 [0,2,0,0,0,0|2,0,0]=4 1311 B14R1.703 CC(=O)C(c1ccc(cc1)F)N(C)C 1458a_200015183285_200000210301 [0,2,0,0,0,0|2,0,0]=4 1312 B14R1.703 CN(C)C(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000689845_200025704644 [0,2,0,0,0,0|2,0,0]=4 1313 B14R1.703 CN(C)C(C(=O)[13CH3])c1ccc(cc1)F 1458a_200015183285_200025704644 [0,2,0,0,0,0|2,0,0]=4 1314 B14R1.703 Cc1ccc(cc1)C(C(=O)[13CH3])N(C)C 1458a_200015183742_200025704644 [0,2,0,0,0,0|2,0,0]=4 1315 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [1,0,0,1,0,0|2,0,0]=4 1316 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [1,0,0,1,0,0|2,0,0]=4 1317 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,0,0,1,0,0|2,0,0]=4 1318 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [1,0,0,1,0,0|1,0,0]=3 1319 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,0,0,1,0,0|1,0,0]=3 1320 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [1,0,0,1,0,0|2,0,0]=4 1321 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [1,0,0,1,0,0|2,0,0]=4 1322 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [1,0,0,1,0,0|2,0,0]=4 1323 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,0,0,1,0,0|2,0,0]=4 1324 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,0,0,1,0,0|2,0,0]=4 1325 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,0,0,1,0,0|2,0,0]=4 1326 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,0,0,1,0,0|1,0,0]=3 1327 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,0,0,1,0,0|1,1,0]=4 1328 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [1,0,0,1,0,0|2,0,0]=4 1329 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [1,0,0,1,0,0|1,0,1]=4 1330 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [1,0,0,1,0,0|1,1,0]=4 1331 B12R2.290 NC1(CC1)c2ccc(cc2)O 271570a_203496583355_100000742681 [1,0,0,1,0,0|1,0,1]=4 1332 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [1,0,0,1,0,0|1,0,1]=4 1333 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [1,0,0,1,0,0|1,0,1]=4 1334 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [1,0,0,1,0,0|0,0,1]=3 1335 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [1,0,0,1,0,0|1,0,1]=4 1336 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [1,0,0,1,0,0|1,0,1]=4 1337 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|2,0,0]=4 1338 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|2,0,0]=4 1339 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,0,0,1,0,1|2,0,0]=4 1340 B14R2.20 O=c1[nH]c(no1)c2ccc(cc2)O 271570a_203496583355_100011388237 [0,0,0,1,0,1|0,0,2]=4 1341 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,0,0,1,0,1|1,0,1]=4 1342 B14R2.946 O=C1CCC1Nc2ccc(cc2)O 34a_100000185829_100009892977 [0,0,0,1,0,1|2,0,0]=4 1343 B14R2.946 O=C1CCC1Sc2ccc(cc2)O 62a_100009892977_100000185759 [0,0,0,1,0,1|2,0,0]=4 1344 B14R2.4529 CC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200000210301 [0,0,0,1,0,1|2,0,0]=4 1345 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,0,0,1,0,1|1,0,1]=4 1346 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,0,0,1,0,1|1,0,1]=4 1347 B14R2.4529 [13CH3]C(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200025704644 [0,0,0,1,0,1|2,0,0]=4 1348 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [0,0,0,1,0,1|2,0,0]=4 1349 B14R2.29369 CN1C(=O)COc2c1ccc(c2)O 271570a_203496583355_100010240413 [0,1,0,1,0,0|2,0,0]=4 1350 B14R2.4646 CC1(C(=O)Nc2c1ccc(c2)O)C 271570a_203496583355_100000686694 [0,1,0,1,0,0|2,0,0]=4 1351 B14R2.10595 NC(=O)C1(CC1)c2ccc(cc2)O 271570a_203496583355_200011211397 [0,1,0,1,0,0|2,0,0]=4 1352 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [1,0,0,0,0,1|2,0,0]=4 1353 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [1,0,0,0,0,1|2,0,0]=4 1354 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [1,0,0,0,0,1|2,0,0]=4 1355 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [1,0,0,0,0,1|2,0,0]=4 1356 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,0,0,0,0,1|1,0,1]=4 1357 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,0,0,0,0,1|2,0,0]=4 1358 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,0,0,0,0,1|2,0,0]=4 1359 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,0,0,0,0,1|2,0,0]=4 1360 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,0,0,0,0,1|2,0,0]=4 1361 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,0,0,0,0,1|2,0,0]=4 1362 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,0,0,0,0,1|2,0,0]=4 1363 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,0,0,0,0,1|2,0,0]=4 1364 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,0,0,0,0,1|2,0,0]=4 1365 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,0,0,0,0,1|2,0,0]=4 1366 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,0,0,0,0,1|1,0,0]=3 1367 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,0,0,0,0,1|1,0,0]=3 1368 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,0,0,0,0,1|1,0,0]=3 1369 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,0,0,0,0,1|2,0,0]=4 1370 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,0,0,0,0,1|2,0,0]=4 1371 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,0,0,0,0,1|2,0,0]=4 1372 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,0,0,0,0,1|2,0,0]=4 1373 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,0,0,0,0,1|2,0,0]=4 1374 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,0,0,0,0,1|1,0,0]=3 1375 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,0,0,0,0,1|2,0,0]=4 1376 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,0,0,0,0,1|2,0,0]=4 1377 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,0,0,0,0,1|2,0,0]=4 1378 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,0,0,0,0,1|2,0,0]=4 1379 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,0,0,0,0,1|2,0,0]=4 1380 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,0,0,0,0,1|2,0,0]=4 1381 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,0,0,0,0,1|2,0,0]=4 1382 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,0,0,0,0,1|2,0,0]=4 1383 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,0,0,0,0,1|2,0,0]=4 1384 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,0,0,0,0,1|2,0,0]=4 1385 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,0,0,0,0,1|2,0,0]=4 1386 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,0,0,0,0,1|2,0,0]=4 1387 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,0,0,0,0,1|2,0,0]=4 1388 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,0,0,0,0,1|2,0,0]=4 1389 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,0,0,0,0,1|2,0,0]=4 1390 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,0,0,0,0,1|2,0,0]=4 1391 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,0,0,0,0,1|2,0,0]=4 1392 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,0,0,0,0,1|2,0,0]=4 1393 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,0,0,0,0,1|2,0,0]=4 1394 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,0,0,0,0,1|2,0,0]=4 1395 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,0,0,0,0,1|2,0,0]=4 1396 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,0,0,0,0,1|2,0,0]=4 1397 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,0,0,0,0,1|2,0,0]=4 1398 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,0,0,0,0,1|2,0,0]=4 1399 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,0,0,0,0,1|1,0,0]=3 1400 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,0,0,0,0,1|1,0,0]=3 1401 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,0,0,0,0,1|1,0,0]=3 1402 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [1,0,0,0,0,1|2,0,0]=4 1403 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [1,0,0,0,0,1|2,0,0]=4 1404 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [1,0,0,0,0,1|2,0,0]=4 1405 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,0,0,0,0,1|2,0,0]=4 1406 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [1,0,0,0,0,1|1,0,1]=4 1407 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [1,0,0,0,0,1|1,0,1]=4 1408 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [1,0,0,0,0,1|1,0,1]=4 1409 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [1,0,0,0,0,1|1,0,1]=4 1410 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,0,0,0,0,1|2,0,0]=4 1411 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [1,0,0,0,0,1|2,0,0]=4 1412 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [1,0,0,0,0,1|1,0,1]=4 1413 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [1,0,0,0,0,1|2,0,0]=4 1414 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [1,0,0,0,0,1|2,0,0]=4 1415 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,0,0,0,0,1|2,0,0]=4 1416 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [1,0,0,0,0,1|1,0,1]=4 1417 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [1,0,0,0,0,1|2,0,0]=4 1418 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [1,0,0,0,0,1|2,0,0]=4 1419 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,0,0,0,0,1|2,0,0]=4 1420 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [1,0,0,0,0,1|1,0,1]=4 1421 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [1,0,0,0,0,1|1,0,1]=4 1422 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,0,0,0,0,1|1,0,0]=3 1423 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [1,0,0,0,0,1|2,0,0]=4 1424 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [1,0,0,0,0,1|2,0,0]=4 1425 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [1,0,0,0,0,1|2,0,0]=4 1426 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [1,0,0,0,0,1|2,0,0]=4 1427 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [1,0,0,0,0,1|2,0,0]=4 1428 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [1,0,0,0,0,1|2,0,0]=4 1429 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,0,0,0,0,1|1,0,0]=3 1430 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [1,0,0,0,0,1|2,0,0]=4 1431 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [1,0,0,0,0,1|2,0,0]=4 1432 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [1,0,0,0,0,1|2,0,0]=4 1433 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [1,0,0,0,0,1|2,0,0]=4 1434 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [1,0,0,0,0,1|2,0,0]=4 1435 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [1,0,0,0,0,1|2,0,0]=4 1436 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [1,0,0,0,0,1|2,0,0]=4 1437 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [1,0,0,0,0,1|2,0,0]=4 1438 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [1,0,0,0,0,1|2,0,0]=4 1439 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [1,0,0,0,0,1|2,0,0]=4 1440 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [1,0,0,0,0,1|2,0,0]=4 1441 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [1,0,0,0,0,1|2,0,0]=4 1442 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [1,0,0,0,0,1|2,0,0]=4 1443 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [1,0,0,0,0,1|2,0,0]=4 1444 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [1,0,0,0,0,1|2,0,0]=4 1445 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [1,0,0,0,0,1|2,0,0]=4 1446 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,0,0,0,0,1|1,0,0]=3 1447 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,0,0,0,0,1|1,0,0]=3 1448 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [1,0,0,0,0,1|2,0,0]=4 1449 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [1,0,0,0,0,1|2,0,0]=4 1450 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [1,0,0,0,0,1|1,0,1]=4 1451 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [1,0,0,0,0,1|1,0,1]=4 1452 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [1,0,0,0,0,1|1,0,1]=4 1453 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [1,0,0,0,0,1|1,0,1]=4 1454 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [1,0,0,0,0,1|1,0,1]=4 1455 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [1,0,0,0,0,1|1,0,1]=4 1456 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [1,0,0,0,0,1|1,0,1]=4 1457 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,0,0,0,0,1|0,0,1]=3 1458 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [1,0,0,0,0,1|1,0,1]=4 1459 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [1,0,0,0,0,1|1,0,1]=4 1460 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [1,0,0,0,0,1|1,0,1]=4 1461 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [1,0,0,0,0,1|1,0,1]=4 1462 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [1,0,0,0,0,1|1,0,1]=4 1463 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [1,0,0,0,0,1|1,0,1]=4 1464 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [1,0,0,0,0,1|1,0,1]=4 1465 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [1,0,0,0,0,1|1,0,1]=4 1466 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [1,0,0,0,0,1|1,0,1]=4 1467 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [1,0,0,0,0,1|1,0,1]=4 1468 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,0,0,0,0,1|0,0,1]=3 1469 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [1,0,0,0,0,1|1,0,1]=4 1470 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [1,0,0,0,0,1|1,0,1]=4 1471 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [1,0,0,0,0,1|1,0,1]=4 1472 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,0,0,0,0,1|2,0,0]=4 1473 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,0,0,0,0,1|2,0,0]=4 1474 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,0,0,0,0,1|2,0,0]=4 1475 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,0,0,0,0,1|2,0,0]=4 1476 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,0,0,0,0,1|1,0,0]=3 1477 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,0,0,0,0,1|2,0,0]=4 1478 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,0,0,0,0,1|2,0,0]=4 1479 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,0,0,0,0,1|2,0,0]=4 1480 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,0,0,0,0,1|2,0,0]=4 1481 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,0,0,0,0,1|1,0,0]=3 1482 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,0,0,0,0,1|2,0,0]=4 1483 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,0,0,0,0,1|2,0,0]=4 1484 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,0,0,0,0,1|2,0,0]=4 1485 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,0,0,0,0,1|2,0,0]=4 1486 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,0,0,0,0,1|2,0,0]=4 1487 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,0,0,0,0,1|2,0,0]=4 1488 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,0,0,0,0,1|2,0,0]=4 1489 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,0,0,0,0,1|2,0,0]=4 1490 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,0,0,0,0,1|2,0,0]=4 1491 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,0,0,0,0,1|2,0,0]=4 1492 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,0,0,0,0,1|2,0,0]=4 1493 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,0,0,0,0,1|2,0,0]=4 1494 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [1,0,0,0,0,1|2,0,0]=4 1495 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [1,0,0,0,0,1|2,0,0]=4 1496 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [1,0,0,0,0,1|2,0,0]=4 1497 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,0,0,0,0,1|2,0,0]=4 1498 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [1,0,0,0,0,1|2,0,0]=4 1499 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [1,0,0,0,0,1|2,0,0]=4 1500 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,0,0,0,0,1|2,0,0]=4 1501 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [1,0,0,0,0,1|2,0,0]=4 1502 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [1,0,0,0,0,1|2,0,0]=4 1503 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [1,0,0,0,0,1|2,0,0]=4 1504 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [1,0,0,0,0,1|2,0,0]=4 1505 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [1,0,0,0,0,1|2,0,0]=4 1506 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [1,0,0,0,0,1|1,0,1]=4 1507 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [1,0,0,0,0,1|1,0,1]=4 1508 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [1,0,0,0,0,1|1,0,1]=4 1509 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [1,0,0,0,0,1|1,0,1]=4 1510 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,0,0,0,0,1|2,0,0]=4 1511 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,0,0,0,0,1|2,0,0]=4 1512 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,0,0,0,0,1|2,0,0]=4 1513 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,0,0,0,0,1|2,0,0]=4 1514 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,0,0,0,0,1|2,0,0]=4 1515 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,0,0,0,0,1|2,0,0]=4 1516 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [1,0,0,0,0,1|2,0,0]=4 1517 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [1,0,0,0,0,1|2,0,0]=4 1518 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [1,0,0,0,0,1|2,0,0]=4 1519 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [1,0,0,0,0,1|2,0,0]=4 1520 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,0,0,0,0,1|2,0,0]=4 1521 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,0,0,0,0,1|2,0,0]=4 1522 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,0,0,0,0,1|2,0,0]=4 1523 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,0,0,0,0,1|2,0,0]=4 1524 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 240690a_200015188644_100015343762 [0,0,0,0,0,2|2,0,0]=4 1525 B14R1.678 CC(=O)NCC(C)c1ccc(cc1)O 527a_200015188644_100103153847 [0,0,0,0,0,2|2,0,0]=4 1526 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)O 240690a_100000067596_100015343762 [0,0,0,0,0,2|2,0,0]=4 1527 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Br 269956a_100016091260_100000755118 [0,0,0,0,0,2|2,0,0]=4 1528 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)Cl 269956a_100016091260_100000684792 [0,0,0,0,0,2|2,0,0]=4 1529 B14R1.678 CC(NCC(=O)O)c1ccc(cc1)F 269956a_100016091260_100000743420 [0,0,0,0,0,2|2,0,0]=4 1530 B14R1.678 C[C@H](NCC(=O)N)c1ccc(cc1)O 2230a_100161106496_100000747473 [0,0,0,0,0,2|2,0,0]=4 1531 B14R1.678 Cc1ccc(cc1)C(C)NCC(=O)O 269956a_100016091260_100011261388 [0,0,0,0,0,2|2,0,0]=4 1532 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 240690a_100102634573_100015343762 [0,0,0,0,0,2|2,0,0]=4 1533 B14R1.698 CC(=O)NC(C)Cc1ccc(cc1)O 527a_100102634573_100103153847 [0,0,0,0,0,2|2,0,0]=4 1534 B14R1.698 CC(=O)OC(C)Sc1ccc(cc1)O 62a_100009818208_100000185759 [0,0,0,0,0,2|2,0,0]=4 1535 B14R1.679 CC(NCc1ccc(cc1)O)C(=O)N 34a_100000185549_100000702099 [0,0,0,0,0,2|2,0,0]=4 1536 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,0,0,0,0,2|2,0,0]=4 1537 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,0,0,0,0,2|2,0,0]=4 1538 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,0,0,0,0,2|2,0,0]=4 1539 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,0,0,0,0,2|2,0,0]=4 1540 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,0,0,0,0,2|2,0,0]=4 1541 B14R1.679 NC(=O)C(F)NCc1ccc(cc1)O 34a_100000185549_100009813875 [0,0,0,0,0,2|2,0,0]=4 1542 B14R1.679 O=C([O-])C(F)NCc1ccc(cc1)O 34a_100000185549_100020610796 [0,0,0,0,0,2|1,0,1]=4