0 B13R1.14 C=C(C#N)COc1ccc(cc1)Cl 34a_100000210216_100000694840 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100000730141 [0,0,0,0,0,0|2,1,1]=4 2 B13R1.14 C=CC(O)CNc1ccc(cc1)Br 34a_100000210018_100000730141 [0,0,0,0,0,0|2,1,1]=4 3 B13R1.14 C=CC(O)CNc1ccc(cc1)C 34a_100000124888_100000730141 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100000730141 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.14 C=CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100000730141 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.14 C=CC(O)CNc1ccc(cc1)F 34a_100000185862_100000730141 [0,0,0,0,0,0|2,1,1]=4 7 B13R1.14 C=CC(O)CNc1ccc(cc1)I 34a_100000185761_100000730141 [0,0,0,0,0,0|2,1,1]=4 8 B13R1.14 C=CC(O)CNc1ccc(cc1)O 34a_100000185829_100000730141 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.14 C=CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100000730141 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.14 C=CC(O)COc1ccc(cc1)Br 34a_100000185759_100000730141 [0,0,0,0,0,0|1,1,1]=3 11 B13R1.14 C=CC(O)COc1ccc(cc1)Br 7a_100000185759_100000730141 [0,0,0,0,0,0|1,1,1]=3 12 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,0,0,0,0,0|2,0,1]=3 13 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,0,0,0,0,0|2,0,1]=3 14 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 34a_100000210216_100000730141 [0,0,0,0,0,0|1,0,1]=2 15 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 7a_100000210216_100000730141 [0,0,0,0,0,0|1,0,1]=2 16 B13R1.14 C=CC(O)COc1ccc(cc1)F 34a_100000210339_100000730141 [0,0,0,0,0,0|1,1,1]=3 17 B13R1.14 C=CC(O)COc1ccc(cc1)I 34a_100000212066_100000730141 [0,0,0,0,0,0|1,1,1]=3 18 B13R1.14 C=CC(O)COc1ccc(cc1)I 7a_100000212066_100000730141 [0,0,0,0,0,0|1,1,1]=3 19 B13R1.14 C=CC(O)COc1ccc(cc1)N 34a_100000185829_100000730141 [0,0,0,0,0,0|2,0,1]=3 20 B13R1.14 C=CC(O)COc1ccc(cn1)C 34a_100000759353_100000730141 [0,0,0,0,0,0|3,0,1]=4 21 B13R1.14 C=CC(O)COc1ccc(cn1)Cl 34a_100011215309_100000730141 [0,0,0,0,0,0|2,0,1]=3 22 B13R1.14 C=CC(O)COc1ccc(cn1)F 34a_100000742473_100000730141 [0,0,0,0,0,0|2,1,1]=4 23 B13R1.14 C=CC(O)COc1ccc(cn1)N 34a_100000729260_100000730141 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.14 C=CC(O)COc1ccc(nc1)Br 34a_100000685995_100000730141 [0,0,0,0,0,0|2,1,1]=4 25 B13R1.14 C=CC(O)COc1ccc(nc1)Br 7a_100000685995_100000730141 [0,0,0,0,0,0|2,1,1]=4 26 B13R1.14 C=CC(O)COc1ccc(nc1)C 34a_100000745506_100000730141 [0,0,0,0,0,0|3,0,1]=4 27 B13R1.14 C=CC(O)COc1ccc(nc1)C 7a_100000745506_100000730141 [0,0,0,0,0,0|3,0,1]=4 28 B13R1.14 C=CC(O)COc1ccc(nc1)Cl 34a_100000744096_100000730141 [0,0,0,0,0,0|2,0,1]=3 29 B13R1.14 C=CC(O)COc1ccc(nc1)Cl 7a_100000744096_100000730141 [0,0,0,0,0,0|2,0,1]=3 30 B13R1.14 C=CC(O)COc1ccc(nc1)F 34a_100000688820_100000730141 [0,0,0,0,0,0|2,1,1]=4 31 B13R1.14 C=CC(O)COc1ccc(nc1)F 7a_100000688820_100000730141 [0,0,0,0,0,0|2,1,1]=4 32 B13R1.14 C=CC(O)COc1ccc(nc1)I 34a_100000687607_100000730141 [0,0,0,0,0,0|2,1,1]=4 33 B13R1.14 C=CC(O)COc1ccc(nc1)I 7a_100000687607_100000730141 [0,0,0,0,0,0|2,1,1]=4 34 B13R1.14 C=CC(O)COc1ccc(nc1)N 34a_100015188713_100000730141 [0,0,0,0,0,0|3,0,1]=4 35 B13R1.14 C=CC(O)COc1ccc(nc1)N 7a_100015188713_100000730141 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.14 C=CC(O)COc1cnc(cn1)Cl 34a_100015839800_100000730141 [0,0,0,0,0,0|3,0,1]=4 37 B13R1.14 C=CC(O)COc1cnc(nc1)Cl 34a_100000092845_100000730141 [0,0,0,0,0,0|3,0,1]=4 38 B13R1.14 C=CC(O)COc1cnc(nc1)Cl 7a_100000092845_100000730141 [0,0,0,0,0,0|3,0,1]=4 39 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000730141_100000752885 [0,0,0,0,0,0|1,2,1]=4 40 B13R1.14 C=CC(O)CSc1ccc(cc1)Br 62a_100000752885_100000730141 [0,0,0,0,0,0|1,2,1]=4 41 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000186775_100000730141 [0,0,0,0,0,0|2,1,1]=4 42 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000730141_100000186775 [0,0,0,0,0,0|2,1,1]=4 43 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000730141_100000755918 [0,0,0,0,0,0|1,1,1]=3 44 B13R1.14 C=CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100000730141 [0,0,0,0,0,0|1,1,1]=3 45 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000211213_100000730141 [0,0,0,0,0,0|1,2,1]=4 46 B13R1.14 C=CC(O)CSc1ccc(cc1)F 62a_100000730141_100000211213 [0,0,0,0,0,0|1,2,1]=4 47 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000185761_100000730141 [0,0,0,0,0,0|2,1,1]=4 48 B13R1.14 C=CC(O)CSc1ccc(cc1)N 62a_100000730141_100000185761 [0,0,0,0,0,0|2,1,1]=4 49 B13R1.14 C=CC(O)CSc1ccc(cc1)O 62a_100000730141_100000185759 [0,0,0,0,0,0|2,1,1]=4 50 B13R1.14 C=CC(O)CSc1ccc(cn1)Cl 62a_100000730141_100011356976 [0,0,0,0,0,0|2,1,1]=4 51 B13R1.14 C=CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100000730141 [0,0,0,0,0,0|2,1,1]=4 52 B13R1.14 C=CC(O)CSc1ccc(nc1)Cl 62a_100000034144_100000730141 [0,0,0,0,0,0|2,1,1]=4 53 B13R1.14 C=CC(O)CSc1ccc(nc1)Cl 62a_100000730141_100000034144 [0,0,0,0,0,0|2,1,1]=4 54 B13R1.14 CC(=NNc1ccc(cc1)Cl)CO 4a_100000683521_100000211253 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,0,0,0,0,0|4,0,0]=4 56 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,0,0,0,0,0|4,0,0]=4 57 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,0,0,0,0,0|4,0,0]=4 58 B13R1.14 CC(CO)CNc1ccc(cn1)Br 27a_100000744482_100000686858 [0,0,0,0,0,0|3,1,0]=4 59 B13R1.14 CC(CO)CNc1ncc(cn1)Cl 27a_100000744482_100011356929 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,0,0,0,0,0|3,1,0]=4 61 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,0,0,0,0,0|3,1,0]=4 62 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,0,0,0,0,0|3,0,0]=3 63 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,0,0,0,0,0|3,0,0]=3 64 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,0,0,0,0,0|3,1,0]=4 65 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,0,0,0,0,0|3,1,0]=4 66 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,0,0,0,0,0|3,1,0]=4 67 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,0,0,0,0,0|3,1,0]=4 68 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,0,0,0,0,0|4,0,0]=4 69 B13R1.14 CC(CO)NCc1ccc(cn1)Cl 34a_100000697193_100012180447 [0,0,0,0,0,0|4,0,0]=4 70 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 2230a_100000735879_100012180447 [0,0,0,0,0,0|4,0,0]=4 71 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 34a_100000735879_100012180447 [0,0,0,0,0,0|4,0,0]=4 72 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,0,0,0,0,0|3,1,0]=4 73 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,0,0,0,0,0|3,0,0]=3 74 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,0,0,0,0,0|3,0,0]=3 75 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,0,0,0,0,0|3,1,0]=4 76 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,0,0,0,0,0|3,1,0]=4 77 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,0,0,0,0,0|3,1,0]=4 78 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,0,0,0,0,0|3,1,0]=4 79 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,0,0,0,0,0|4,0,0]=4 80 B13R1.14 CC(CO)OCc1ccc(cn1)Cl 34a_100000703999_100012180447 [0,0,0,0,0,0|4,0,0]=4 81 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 34a_100000755211_100012180447 [0,0,0,0,0,0|4,0,0]=4 82 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 7a_100000755211_100012180447 [0,0,0,0,0,0|4,0,0]=4 83 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,0,0,0,0,0|3,1,0]=4 84 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,0,0,0,0,0|3,0,0]=3 85 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,0,0,0,0,0|3,1,0]=4 86 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,0,0,0,0,0|3,1,0]=4 87 B13R1.14 CC(CO)SCc1ccc(cn1)Cl 62a_100012180447_100000697101 [0,0,0,0,0,0|4,0,0]=4 88 B13R1.14 CC(CO)SCc1ccc(nc1)Cl 62a_100012180447_100000735431 [0,0,0,0,0,0|4,0,0]=4 89 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,0,0,0,0,0|2,0,2]=4 90 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,0,0,0,0,0|2,0,2]=4 91 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [0,0,0,0,0,0|1,1,2]=4 92 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [0,0,0,0,0,0|1,1,2]=4 93 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,0,0,0,0,0|2,0,2]=4 94 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,0,0,0,0,0|2,0,2]=4 95 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [0,0,0,0,0,0|1,0,2]=3 96 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [0,0,0,0,0,0|1,0,2]=3 97 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [0,0,0,0,0,0|1,1,2]=4 98 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [0,0,0,0,0,0|1,1,2]=4 99 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [0,0,0,0,0,0|1,1,2]=4 100 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,0,0,0,0,0|2,0,2]=4 101 B13R1.14 CCC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747405 [0,0,0,0,0,0|2,0,2]=4 102 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210202 [0,0,0,0,0,0|1,1,2]=4 103 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000747405_100000755918 [0,0,0,0,0,0|1,1,2]=4 104 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747405 [0,0,0,0,0,0|1,1,2]=4 105 B13R1.14 CCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748023 [0,0,0,0,0,0|3,1,0]=4 106 B13R1.14 CCC(C)CNc1ccc(cc1)Br 34a_100000210018_100000748023 [0,0,0,0,0,0|3,1,0]=4 107 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,0,0,0,0,0|4,0,0]=4 108 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,0,0,0,0,0|3,0,0]=3 109 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,0,0,0,0,0|3,0,0]=3 110 B13R1.14 CCC(C)CNc1ccc(cc1)F 34a_100000185862_100000748023 [0,0,0,0,0,0|3,1,0]=4 111 B13R1.14 CCC(C)CNc1ccc(cc1)I 34a_100000185761_100000748023 [0,0,0,0,0,0|3,1,0]=4 112 B13R1.14 CCC(C)CNc1ccc(cc1)O 34a_100000185829_100000748023 [0,0,0,0,0,0|4,0,0]=4 113 B13R1.14 CCC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748023 [0,0,0,0,0,0|4,0,0]=4 114 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,0,0,0,0,0|2,1,0]=3 115 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,0,0,0,0,0|2,1,0]=3 116 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,0,0,0,0,0|3,0,0]=3 117 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,0,0,0,0,0|3,0,0]=3 118 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,0,0,0,0,0|2,0,0]=2 119 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,0,0,0,0,0|2,0,0]=2 120 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,0,0,0,0,0|2,1,0]=3 121 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,0,0,0,0,0|2,1,0]=3 122 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,0,0,0,0,0|2,1,0]=3 123 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,0,0,0,0,0|3,0,0]=3 124 B13R1.14 CCC(C)COc1ccc(cn1)C 34a_100000759353_100000748023 [0,0,0,0,0,0|4,0,0]=4 125 B13R1.14 CCC(C)COc1ccc(cn1)Cl 34a_100011215309_100000748023 [0,0,0,0,0,0|3,0,0]=3 126 B13R1.14 CCC(C)COc1ccc(cn1)F 34a_100000742473_100000748023 [0,0,0,0,0,0|3,1,0]=4 127 B13R1.14 CCC(C)COc1ccc(cn1)N 34a_100000729260_100000748023 [0,0,0,0,0,0|4,0,0]=4 128 B13R1.14 CCC(C)COc1ccc(nc1)Br 34a_100000685995_100000748023 [0,0,0,0,0,0|3,1,0]=4 129 B13R1.14 CCC(C)COc1ccc(nc1)Br 7a_100000685995_100000748023 [0,0,0,0,0,0|3,1,0]=4 130 B13R1.14 CCC(C)COc1ccc(nc1)C 34a_100000745506_100000748023 [0,0,0,0,0,0|4,0,0]=4 131 B13R1.14 CCC(C)COc1ccc(nc1)C 7a_100000745506_100000748023 [0,0,0,0,0,0|4,0,0]=4 132 B13R1.14 CCC(C)COc1ccc(nc1)Cl 34a_100000744096_100000748023 [0,0,0,0,0,0|3,0,0]=3 133 B13R1.14 CCC(C)COc1ccc(nc1)Cl 7a_100000744096_100000748023 [0,0,0,0,0,0|3,0,0]=3 134 B13R1.14 CCC(C)COc1ccc(nc1)F 34a_100000688820_100000748023 [0,0,0,0,0,0|3,1,0]=4 135 B13R1.14 CCC(C)COc1ccc(nc1)F 7a_100000688820_100000748023 [0,0,0,0,0,0|3,1,0]=4 136 B13R1.14 CCC(C)COc1ccc(nc1)I 34a_100000687607_100000748023 [0,0,0,0,0,0|3,1,0]=4 137 B13R1.14 CCC(C)COc1ccc(nc1)I 7a_100000687607_100000748023 [0,0,0,0,0,0|3,1,0]=4 138 B13R1.14 CCC(C)COc1ccc(nc1)N 34a_100015188713_100000748023 [0,0,0,0,0,0|4,0,0]=4 139 B13R1.14 CCC(C)COc1ccc(nc1)N 7a_100015188713_100000748023 [0,0,0,0,0,0|4,0,0]=4 140 B13R1.14 CCC(C)COc1cnc(cn1)Cl 34a_100015839800_100000748023 [0,0,0,0,0,0|4,0,0]=4 141 B13R1.14 CCC(C)COc1cnc(nc1)Cl 34a_100000092845_100000748023 [0,0,0,0,0,0|4,0,0]=4 142 B13R1.14 CCC(C)COc1cnc(nc1)Cl 7a_100000092845_100000748023 [0,0,0,0,0,0|4,0,0]=4 143 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000748023_100000752885 [0,0,0,0,0,0|2,2,0]=4 144 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000752885_100000748023 [0,0,0,0,0,0|2,2,0]=4 145 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,0,0,0,0,0|3,1,0]=4 146 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,0,0,0,0,0|3,1,0]=4 147 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,0,0,0,0,0|2,1,0]=3 148 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,0,0,0,0,0|2,1,0]=3 149 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000211213_100000748023 [0,0,0,0,0,0|2,2,0]=4 150 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000748023_100000211213 [0,0,0,0,0,0|2,2,0]=4 151 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000185761_100000748023 [0,0,0,0,0,0|3,1,0]=4 152 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000748023_100000185761 [0,0,0,0,0,0|3,1,0]=4 153 B13R1.14 CCC(C)CSc1ccc(cc1)O 62a_100000748023_100000185759 [0,0,0,0,0,0|3,1,0]=4 154 B13R1.14 CCC(C)CSc1ccc(cn1)Cl 62a_100000748023_100011356976 [0,0,0,0,0,0|3,1,0]=4 155 B13R1.14 CCC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000748023 [0,0,0,0,0,0|3,1,0]=4 156 B13R1.14 CCC(C)CSc1ccc(nc1)Cl 62a_100000034144_100000748023 [0,0,0,0,0,0|3,1,0]=4 157 B13R1.14 CCC(C)CSc1ccc(nc1)Cl 62a_100000748023_100000034144 [0,0,0,0,0,0|3,1,0]=4 158 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,0,0,0,0,0|4,0,0]=4 159 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,0,0,0,0,0|4,0,0]=4 160 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,0,0,0,0,0|4,0,0]=4 161 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,0,0,0,0,0|4,0,0]=4 162 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,0,0,0,0,0|4,0,0]=4 163 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,0,0,0,0,0|4,0,0]=4 164 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,0,0,0,0,0|4,0,0]=4 165 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,0,0,0,0,0|4,0,0]=4 166 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,0,0,0,0,0|4,0,0]=4 167 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,0,0,0,0,0|4,0,0]=4 168 B13R1.14 CCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218378 [0,0,0,0,0,0|2,1,0]=3 169 B13R1.14 CCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218378 [0,0,0,0,0,0|2,1,0]=3 170 B13R1.14 CCC(O)CNc1ccc(cc1)C 34a_100000124888_100011218378 [0,0,0,0,0,0|3,0,0]=3 171 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218378 [0,0,0,0,0,0|2,0,0]=2 172 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218378 [0,0,0,0,0,0|2,0,0]=2 173 B13R1.14 CCC(O)CNc1ccc(cc1)F 34a_100000185862_100011218378 [0,0,0,0,0,0|2,1,0]=3 174 B13R1.14 CCC(O)CNc1ccc(cc1)I 34a_100000185761_100011218378 [0,0,0,0,0,0|2,1,0]=3 175 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,0,0,0,0,0|3,0,0]=3 176 B13R1.14 CCC(O)CNc1ccc(cn1)Br 27a_100011218483_100000686858 [0,0,0,0,0,0|3,1,0]=4 177 B13R1.14 CCC(O)CNc1ncc(cn1)Cl 27a_100011218483_100011356929 [0,0,0,0,0,0|4,0,0]=4 178 B13R1.14 CCC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218378 [0,0,0,0,0,0|3,0,0]=3 179 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,0,0,0,0,0|1,1,0]=2 180 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,0,0,0,0,0|1,1,0]=2 181 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,0,0,0,0,0|2,0,0]=2 182 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,0,0,0,0,0|2,0,0]=2 183 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,0,0,0,0,0|1,0,0]=1 184 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,0,0,0,0,0|1,0,0]=1 185 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,0,0,0,0,0|1,1,0]=2 186 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,0,0,0,0,0|1,1,0]=2 187 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,0,0,0,0,0|1,1,0]=2 188 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,0,0,0,0,0|2,0,0]=2 189 B13R1.14 CCC(O)COc1ccc(cn1)C 34a_100000759353_100011218378 [0,0,0,0,0,0|3,0,0]=3 190 B13R1.14 CCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218378 [0,0,0,0,0,0|2,0,0]=2 191 B13R1.14 CCC(O)COc1ccc(cn1)F 34a_100000742473_100011218378 [0,0,0,0,0,0|2,1,0]=3 192 B13R1.14 CCC(O)COc1ccc(cn1)N 34a_100000729260_100011218378 [0,0,0,0,0,0|3,0,0]=3 193 B13R1.14 CCC(O)COc1ccc(nc1)Br 34a_100000685995_100011218378 [0,0,0,0,0,0|2,1,0]=3 194 B13R1.14 CCC(O)COc1ccc(nc1)Br 7a_100000685995_100011218378 [0,0,0,0,0,0|2,1,0]=3 195 B13R1.14 CCC(O)COc1ccc(nc1)C 34a_100000745506_100011218378 [0,0,0,0,0,0|3,0,0]=3 196 B13R1.14 CCC(O)COc1ccc(nc1)C 7a_100000745506_100011218378 [0,0,0,0,0,0|3,0,0]=3 197 B13R1.14 CCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218378 [0,0,0,0,0,0|2,0,0]=2 198 B13R1.14 CCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218378 [0,0,0,0,0,0|2,0,0]=2 199 B13R1.14 CCC(O)COc1ccc(nc1)F 34a_100000688820_100011218378 [0,0,0,0,0,0|2,1,0]=3 200 B13R1.14 CCC(O)COc1ccc(nc1)F 7a_100000688820_100011218378 [0,0,0,0,0,0|2,1,0]=3 201 B13R1.14 CCC(O)COc1ccc(nc1)I 34a_100000687607_100011218378 [0,0,0,0,0,0|2,1,0]=3 202 B13R1.14 CCC(O)COc1ccc(nc1)I 7a_100000687607_100011218378 [0,0,0,0,0,0|2,1,0]=3 203 B13R1.14 CCC(O)COc1ccc(nc1)N 34a_100015188713_100011218378 [0,0,0,0,0,0|3,0,0]=3 204 B13R1.14 CCC(O)COc1ccc(nc1)N 7a_100015188713_100011218378 [0,0,0,0,0,0|3,0,0]=3 205 B13R1.14 CCC(O)COc1cnc(cn1)Br 34a_100011934580_100011218378 [0,0,0,0,0,0|3,1,0]=4 206 B13R1.14 CCC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218378 [0,0,0,0,0,0|3,0,0]=3 207 B13R1.14 CCC(O)COc1cnc(nc1)Br 34a_100000730009_100011218378 [0,0,0,0,0,0|3,1,0]=4 208 B13R1.14 CCC(O)COc1cnc(nc1)Br 7a_100000730009_100011218378 [0,0,0,0,0,0|3,1,0]=4 209 B13R1.14 CCC(O)COc1cnc(nc1)C 34a_100000062939_100011218378 [0,0,0,0,0,0|4,0,0]=4 210 B13R1.14 CCC(O)COc1cnc(nc1)C 7a_100000062939_100011218378 [0,0,0,0,0,0|4,0,0]=4 211 B13R1.14 CCC(O)COc1cnc(nc1)Cl 34a_100000092845_100011218378 [0,0,0,0,0,0|3,0,0]=3 212 B13R1.14 CCC(O)COc1cnc(nc1)Cl 7a_100000092845_100011218378 [0,0,0,0,0,0|3,0,0]=3 213 B13R1.14 CCC(O)COc1cnc(nc1)F 34a_200009874573_100011218378 [0,0,0,0,0,0|3,1,0]=4 214 B13R1.14 CCC(O)COc1cnc(nc1)F 7a_200009874573_100011218378 [0,0,0,0,0,0|3,1,0]=4 215 B13R1.14 CCC(O)COc1cnc(nc1)N 34a_100000087137_100011218378 [0,0,0,0,0,0|4,0,0]=4 216 B13R1.14 CCC(O)COc1cnc(nc1)N 7a_100000087137_100011218378 [0,0,0,0,0,0|4,0,0]=4 217 B13R1.14 CCC(O)COc1ncc(cn1)F 34a_100011934040_100011218378 [0,0,0,0,0,0|3,1,0]=4 218 B13R1.14 CCC(O)CSc1cc[n+](cc1)[O-] 62a_100011218378_100000039755 [0,0,0,0,0,0|3,1,0]=4 219 B13R1.14 CCC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218378 [0,0,0,0,0,0|3,1,0]=4 220 B13R1.14 CCC(O)CSc1ccc(=O)[nH]c1 62a_100011218378_100000212171 [0,0,0,0,0,0|3,1,0]=4 221 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218378 [0,0,0,0,0,0|1,2,0]=3 222 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100011218378_100000752885 [0,0,0,0,0,0|1,2,0]=3 223 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100000186775_100011218378 [0,0,0,0,0,0|2,1,0]=3 224 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100011218378_100000186775 [0,0,0,0,0,0|2,1,0]=3 225 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218378 [0,0,0,0,0,0|1,1,0]=2 226 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100011218378_100000755918 [0,0,0,0,0,0|1,1,0]=2 227 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100000211213_100011218378 [0,0,0,0,0,0|1,2,0]=3 228 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100011218378_100000211213 [0,0,0,0,0,0|1,2,0]=3 229 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100000185761_100011218378 [0,0,0,0,0,0|2,1,0]=3 230 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100011218378_100000185761 [0,0,0,0,0,0|2,1,0]=3 231 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,0,0,0,0,0|2,1,0]=3 232 B13R1.14 CCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218378 [0,0,0,0,0,0|2,2,0]=4 233 B13R1.14 CCC(O)CSc1ccc(cn1)Br 62a_100011218378_100000686858 [0,0,0,0,0,0|2,2,0]=4 234 B13R1.14 CCC(O)CSc1ccc(cn1)C 62a_100011192072_100011218378 [0,0,0,0,0,0|3,1,0]=4 235 B13R1.14 CCC(O)CSc1ccc(cn1)C 62a_100011218378_100000754016 [0,0,0,0,0,0|3,1,0]=4 236 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011218378_100011356976 [0,0,0,0,0,0|2,1,0]=3 237 B13R1.14 CCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218378 [0,0,0,0,0,0|2,1,0]=3 238 B13R1.14 CCC(O)CSc1ccc(cn1)F 62a_100000744514_100011218378 [0,0,0,0,0,0|2,2,0]=4 239 B13R1.14 CCC(O)CSc1ccc(cn1)F 62a_100011218378_100000744514 [0,0,0,0,0,0|2,2,0]=4 240 B13R1.14 CCC(O)CSc1ccc(cn1)N 62a_100000737798_100011218378 [0,0,0,0,0,0|3,1,0]=4 241 B13R1.14 CCC(O)CSc1ccc(cn1)N 62a_100011218378_100000737798 [0,0,0,0,0,0|3,1,0]=4 242 B13R1.14 CCC(O)CSc1ccc(cn1)O 62a_100000685995_100011218378 [0,0,0,0,0,0|3,1,0]=4 243 B13R1.14 CCC(O)CSc1ccc(cn1)O 62a_100011218378_100000744096 [0,0,0,0,0,0|3,1,0]=4 244 B13R1.14 CCC(O)CSc1ccc(nc1)Br 62a_100009814638_100011218378 [0,0,0,0,0,0|2,2,0]=4 245 B13R1.14 CCC(O)CSc1ccc(nc1)Br 62a_100011218378_100009814638 [0,0,0,0,0,0|2,2,0]=4 246 B13R1.14 CCC(O)CSc1ccc(nc1)C 62a_100000751577_100011218378 [0,0,0,0,0,0|3,1,0]=4 247 B13R1.14 CCC(O)CSc1ccc(nc1)C 62a_100011218378_100000751577 [0,0,0,0,0,0|3,1,0]=4 248 B13R1.14 CCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218378 [0,0,0,0,0,0|2,1,0]=3 249 B13R1.14 CCC(O)CSc1ccc(nc1)Cl 62a_100011218378_100000034144 [0,0,0,0,0,0|2,1,0]=3 250 B13R1.14 CCC(O)CSc1ccc(nc1)F 62a_100000042367_100011218378 [0,0,0,0,0,0|2,2,0]=4 251 B13R1.14 CCC(O)CSc1ccc(nc1)F 62a_100011218378_100000042367 [0,0,0,0,0,0|2,2,0]=4 252 B13R1.14 CCC(O)CSc1ccc(nc1)N 62a_100000187370_100011218378 [0,0,0,0,0,0|3,1,0]=4 253 B13R1.14 CCC(O)CSc1ccc(nc1)N 62a_100011218378_100000187370 [0,0,0,0,0,0|3,1,0]=4 254 B13R1.14 CCC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011218378 [0,0,0,0,0,0|3,1,0]=4 255 B13R1.14 CCC(O)CSc1ccc(nn1)Cl 62a_100011218378_100000068654 [0,0,0,0,0,0|3,1,0]=4 256 B13R1.14 CCC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011218378 [0,0,0,0,0,0|3,1,0]=4 257 B13R1.14 CCC(O)CSc1cnc(cn1)Cl 62a_100011218378_100010214907 [0,0,0,0,0,0|3,1,0]=4 258 B13R1.14 CCC(O)CSc1cnc(nc1)Cl 62a_100000059775_100011218378 [0,0,0,0,0,0|3,1,0]=4 259 B13R1.14 CCC(O)CSc1cnc(nc1)Cl 62a_100011218378_100000059775 [0,0,0,0,0,0|3,1,0]=4 260 B13R1.14 CCC(O)CSc1ncc(cn1)Cl 62a_100011218378_100011356929 [0,0,0,0,0,0|3,1,0]=4 261 B13R1.14 CCC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011218378 [0,0,0,0,0,0|3,1,0]=4 262 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000225621_100011713675 [0,0,0,0,0,0|4,0,0]=4 263 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210202 [0,0,0,0,0,0|4,0,0]=4 264 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000225621_100011713675 [0,0,0,0,0,0|4,0,0]=4 265 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000204670 [0,0,0,0,0,0|4,0,0]=4 266 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210202 [0,0,0,0,0,0|4,0,0]=4 267 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 2230a_100000210018_100009816398 [0,0,0,0,0,0|3,1,0]=4 268 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 34a_100000210018_100009816398 [0,0,0,0,0,0|3,1,0]=4 269 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,0,0,0,0,0|4,0,0]=4 270 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,0,0,0,0,0|3,0,0]=3 271 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,0,0,0,0,0|3,0,0]=3 272 B13R1.14 CC[C@H](C)CNc1ccc(cc1)F 34a_100000185862_100009816398 [0,0,0,0,0,0|3,1,0]=4 273 B13R1.14 CC[C@H](C)CNc1ccc(cc1)I 34a_100000185761_100009816398 [0,0,0,0,0,0|3,1,0]=4 274 B13R1.14 CC[C@H](C)CNc1ccc(cc1)O 34a_100000185829_100009816398 [0,0,0,0,0,0|4,0,0]=4 275 B13R1.14 CC[C@H](C)COc1ccc(=O)[nH]c1 34a_100000075641_100009816398 [0,0,0,0,0,0|4,0,0]=4 276 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,0,0,0,0,0|2,1,0]=3 277 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,0,0,0,0,0|2,1,0]=3 278 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,0,0,0,0,0|3,0,0]=3 279 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,0,0,0,0,0|3,0,0]=3 280 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,0,0,0,0,0|2,0,0]=2 281 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,0,0,0,0,0|2,0,0]=2 282 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,0,0,0,0,0|2,1,0]=3 283 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,0,0,0,0,0|2,1,0]=3 284 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,0,0,0,0,0|2,1,0]=3 285 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,0,0,0,0,0|3,0,0]=3 286 B13R1.14 CC[C@H](C)COc1ccc(cn1)C 34a_100000759353_100009816398 [0,0,0,0,0,0|4,0,0]=4 287 B13R1.14 CC[C@H](C)COc1ccc(cn1)Cl 34a_100011215309_100009816398 [0,0,0,0,0,0|3,0,0]=3 288 B13R1.14 CC[C@H](C)COc1ccc(cn1)F 34a_100000742473_100009816398 [0,0,0,0,0,0|3,1,0]=4 289 B13R1.14 CC[C@H](C)COc1ccc(cn1)N 34a_100000729260_100009816398 [0,0,0,0,0,0|4,0,0]=4 290 B13R1.14 CC[C@H](C)COc1ccc(nc1)Br 34a_100000685995_100009816398 [0,0,0,0,0,0|3,1,0]=4 291 B13R1.14 CC[C@H](C)COc1ccc(nc1)Br 7a_100000685995_100009816398 [0,0,0,0,0,0|3,1,0]=4 292 B13R1.14 CC[C@H](C)COc1ccc(nc1)C 34a_100000745506_100009816398 [0,0,0,0,0,0|4,0,0]=4 293 B13R1.14 CC[C@H](C)COc1ccc(nc1)C 7a_100000745506_100009816398 [0,0,0,0,0,0|4,0,0]=4 294 B13R1.14 CC[C@H](C)COc1ccc(nc1)Cl 34a_100000744096_100009816398 [0,0,0,0,0,0|3,0,0]=3 295 B13R1.14 CC[C@H](C)COc1ccc(nc1)Cl 7a_100000744096_100009816398 [0,0,0,0,0,0|3,0,0]=3 296 B13R1.14 CC[C@H](C)COc1ccc(nc1)F 34a_100000688820_100009816398 [0,0,0,0,0,0|3,1,0]=4 297 B13R1.14 CC[C@H](C)COc1ccc(nc1)F 7a_100000688820_100009816398 [0,0,0,0,0,0|3,1,0]=4 298 B13R1.14 CC[C@H](C)COc1ccc(nc1)I 34a_100000687607_100009816398 [0,0,0,0,0,0|3,1,0]=4 299 B13R1.14 CC[C@H](C)COc1ccc(nc1)I 7a_100000687607_100009816398 [0,0,0,0,0,0|3,1,0]=4 300 B13R1.14 CC[C@H](C)COc1ccc(nc1)N 34a_100015188713_100009816398 [0,0,0,0,0,0|4,0,0]=4 301 B13R1.14 CC[C@H](C)COc1ccc(nc1)N 7a_100015188713_100009816398 [0,0,0,0,0,0|4,0,0]=4 302 B13R1.14 CC[C@H](C)COc1cnc(cn1)Cl 34a_100015839800_100009816398 [0,0,0,0,0,0|4,0,0]=4 303 B13R1.14 CC[C@H](C)COc1cnc(nc1)Cl 34a_100000092845_100009816398 [0,0,0,0,0,0|4,0,0]=4 304 B13R1.14 CC[C@H](C)COc1cnc(nc1)Cl 7a_100000092845_100009816398 [0,0,0,0,0,0|4,0,0]=4 305 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100000752885_100009816398 [0,0,0,0,0,0|2,2,0]=4 306 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100009816398_100000752885 [0,0,0,0,0,0|2,2,0]=4 307 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,0,0,0,0,0|3,1,0]=4 308 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,0,0,0,0,0|3,1,0]=4 309 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,0,0,0,0,0|2,1,0]=3 310 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,0,0,0,0,0|2,1,0]=3 311 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100000211213_100009816398 [0,0,0,0,0,0|2,2,0]=4 312 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100009816398_100000211213 [0,0,0,0,0,0|2,2,0]=4 313 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100000185761_100009816398 [0,0,0,0,0,0|3,1,0]=4 314 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100009816398_100000185761 [0,0,0,0,0,0|3,1,0]=4 315 B13R1.14 CC[C@H](C)CSc1ccc(cc1)O 62a_100009816398_100000185759 [0,0,0,0,0,0|3,1,0]=4 316 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Cl 62a_100009816398_100011356976 [0,0,0,0,0,0|3,1,0]=4 317 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Cl 62a_100011356976_100009816398 [0,0,0,0,0,0|3,1,0]=4 318 B13R1.14 CC[C@H](C)CSc1ccc(nc1)Cl 62a_100000034144_100009816398 [0,0,0,0,0,0|3,1,0]=4 319 B13R1.14 CC[C@H](C)CSc1ccc(nc1)Cl 62a_100009816398_100000034144 [0,0,0,0,0,0|3,1,0]=4 320 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 269982a_100000698262_100015361967 [0,0,0,0,0,0|4,0,0]=4 321 B13R1.14 CN(CF)CCc1ccc(cc1)Cl 34a_100000698262_100015361967 [0,0,0,0,0,0|4,0,0]=4 322 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,0,0,0,0,0|2,0,2]=4 323 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,0,0,0,0,0|2,0,2]=4 324 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,0,0,0,0,0|2,0,2]=4 325 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,0,0,0,0,0|2,0,2]=4 326 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,0,0,0,0,0|2,0,2]=4 327 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,0,0,0,0,0|2,0,2]=4 328 B13R1.14 CNC(C)CCc1ccc(cc1)Cl 270004a_106832991635_100011279170 [0,0,0,0,0,0|4,0,0]=4 329 B13R1.14 CNC(C)COc1ccc(cc1)C 2230a_100000743913_200000210301 [0,0,0,0,0,0|4,0,0]=4 330 B13R1.14 CNC(C)COc1ccc(cc1)C 34a_100000743913_200000210301 [0,0,0,0,0,0|4,0,0]=4 331 B13R1.14 CNC(C)COc1ccc(cc1)Cl 270004a_106832991635_200000150450 [0,0,0,0,0,0|3,0,0]=3 332 B13R1.14 CNC(C)CSc1ccc(cc1)Cl 270004a_106832991635_100000150472 [0,0,0,0,0,0|3,1,0]=4 333 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,0,0,0,0,0|2,0,2]=4 334 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,0,0,0,0,0|2,0,2]=4 335 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,0,0,0,0,0|4,0,0]=4 336 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,0,0,0,0,0|4,0,0]=4 337 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,0,0,0,0,0|2,1,0]=3 338 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,0,0,0,0,0|2,1,0]=3 339 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,0,0,0,0,0|2,0,0]=2 340 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,0,0,0,0,0|2,0,0]=2 341 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,0,0,0,0,0|2,1,0]=3 342 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,0,0,0,0,0|2,1,0]=3 343 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,0,0,0,0,0|3,0,0]=3 344 B13R1.14 C[C@@H](CO)COc1ccc(=O)[nH]c1 34a_100000075641_100000059175 [0,0,0,0,0,0|3,0,0]=3 345 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,0,0,0,0,0|1,1,0]=2 346 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,0,0,0,0,0|1,1,0]=2 347 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,0,0,0,0,0|1,0,0]=1 348 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,0,0,0,0,0|1,0,0]=1 349 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,0,0,0,0,0|1,1,0]=2 350 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,0,0,0,0,0|1,1,0]=2 351 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,0,0,0,0,0|1,1,0]=2 352 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,0,0,0,0,0|2,0,0]=2 353 B13R1.14 C[C@@H](CO)COc1ccc(cn1)Cl 34a_100011215309_100000059175 [0,0,0,0,0,0|2,0,0]=2 354 B13R1.14 C[C@@H](CO)COc1ccc(cn1)F 34a_100000742473_100000059175 [0,0,0,0,0,0|2,1,0]=3 355 B13R1.14 C[C@@H](CO)COc1ccc(cn1)N 34a_100000729260_100000059175 [0,0,0,0,0,0|3,0,0]=3 356 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 34a_100000685995_100000059175 [0,0,0,0,0,0|2,1,0]=3 357 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 7a_100000685995_100000059175 [0,0,0,0,0,0|2,1,0]=3 358 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 34a_100000744096_100000059175 [0,0,0,0,0,0|2,0,0]=2 359 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 7a_100000744096_100000059175 [0,0,0,0,0,0|2,0,0]=2 360 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 34a_100000688820_100000059175 [0,0,0,0,0,0|2,1,0]=3 361 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 7a_100000688820_100000059175 [0,0,0,0,0,0|2,1,0]=3 362 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 34a_100000687607_100000059175 [0,0,0,0,0,0|2,1,0]=3 363 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 7a_100000687607_100000059175 [0,0,0,0,0,0|2,1,0]=3 364 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 34a_100015188713_100000059175 [0,0,0,0,0,0|3,0,0]=3 365 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 7a_100015188713_100000059175 [0,0,0,0,0,0|3,0,0]=3 366 B13R1.14 C[C@@H](CO)COc1cnc(cn1)Br 34a_100011934580_100000059175 [0,0,0,0,0,0|3,1,0]=4 367 B13R1.14 C[C@@H](CO)COc1cnc(cn1)Cl 34a_100015839800_100000059175 [0,0,0,0,0,0|3,0,0]=3 368 B13R1.14 C[C@@H](CO)COc1cnc(nc1)Br 34a_100000730009_100000059175 [0,0,0,0,0,0|3,1,0]=4 369 B13R1.14 C[C@@H](CO)COc1cnc(nc1)Br 7a_100000730009_100000059175 [0,0,0,0,0,0|3,1,0]=4 370 B13R1.14 C[C@@H](CO)COc1cnc(nc1)Cl 34a_100000092845_100000059175 [0,0,0,0,0,0|3,0,0]=3 371 B13R1.14 C[C@@H](CO)COc1cnc(nc1)Cl 7a_100000092845_100000059175 [0,0,0,0,0,0|3,0,0]=3 372 B13R1.14 C[C@@H](CO)COc1cnc(nc1)F 34a_200009874573_100000059175 [0,0,0,0,0,0|3,1,0]=4 373 B13R1.14 C[C@@H](CO)COc1cnc(nc1)F 7a_200009874573_100000059175 [0,0,0,0,0,0|3,1,0]=4 374 B13R1.14 C[C@@H](CO)COc1cnc(nc1)N 34a_100000087137_100000059175 [0,0,0,0,0,0|4,0,0]=4 375 B13R1.14 C[C@@H](CO)COc1cnc(nc1)N 7a_100000087137_100000059175 [0,0,0,0,0,0|4,0,0]=4 376 B13R1.14 C[C@@H](CO)COc1ncc(cn1)F 34a_100011934040_100000059175 [0,0,0,0,0,0|3,1,0]=4 377 B13R1.14 C[C@@H](CO)CSc1cc[n+](cc1)[O-] 62a_100000059175_100000039755 [0,0,0,0,0,0|3,1,0]=4 378 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000059175_100000212171 [0,0,0,0,0,0|3,1,0]=4 379 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000212171_100000059175 [0,0,0,0,0,0|3,1,0]=4 380 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,0,0,0,0,0|1,2,0]=3 381 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,0,0,0,0,0|1,2,0]=3 382 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,0,0,0,0,0|1,1,0]=2 383 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,0,0,0,0,0|1,1,0]=2 384 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,0,0,0,0,0|1,2,0]=3 385 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,0,0,0,0,0|1,2,0]=3 386 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,0,0,0,0,0|2,1,0]=3 387 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,0,0,0,0,0|2,1,0]=3 388 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,0,0,0,0,0|2,1,0]=3 389 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000059175_100000686858 [0,0,0,0,0,0|2,2,0]=4 390 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000686858_100000059175 [0,0,0,0,0,0|2,2,0]=4 391 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100000059175_100011356976 [0,0,0,0,0,0|2,1,0]=3 392 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100011356976_100000059175 [0,0,0,0,0,0|2,1,0]=3 393 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000059175_100000744514 [0,0,0,0,0,0|2,2,0]=4 394 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000744514_100000059175 [0,0,0,0,0,0|2,2,0]=4 395 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000059175_100000737798 [0,0,0,0,0,0|3,1,0]=4 396 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000737798_100000059175 [0,0,0,0,0,0|3,1,0]=4 397 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000059175_100000744096 [0,0,0,0,0,0|3,1,0]=4 398 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000685995_100000059175 [0,0,0,0,0,0|3,1,0]=4 399 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Br 62a_100000059175_100009814638 [0,0,0,0,0,0|2,2,0]=4 400 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Br 62a_100009814638_100000059175 [0,0,0,0,0,0|2,2,0]=4 401 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000034144_100000059175 [0,0,0,0,0,0|2,1,0]=3 402 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000059175_100000034144 [0,0,0,0,0,0|2,1,0]=3 403 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)F 62a_100000042367_100000059175 [0,0,0,0,0,0|2,2,0]=4 404 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)F 62a_100000059175_100000042367 [0,0,0,0,0,0|2,2,0]=4 405 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)N 62a_100000059175_100000187370 [0,0,0,0,0,0|3,1,0]=4 406 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)N 62a_100000187370_100000059175 [0,0,0,0,0,0|3,1,0]=4 407 B13R1.14 C[C@@H](CO)CSc1ccc(nn1)Cl 62a_100000059175_100000068654 [0,0,0,0,0,0|3,1,0]=4 408 B13R1.14 C[C@@H](CO)CSc1ccc(nn1)Cl 62a_100000068654_100000059175 [0,0,0,0,0,0|3,1,0]=4 409 B13R1.14 C[C@@H](CO)CSc1cnc(cn1)Cl 62a_100000059175_100010214907 [0,0,0,0,0,0|3,1,0]=4 410 B13R1.14 C[C@@H](CO)CSc1cnc(cn1)Cl 62a_100010214907_100000059175 [0,0,0,0,0,0|3,1,0]=4 411 B13R1.14 C[C@@H](CO)CSc1cnc(nc1)Cl 62a_100000059175_100000059775 [0,0,0,0,0,0|3,1,0]=4 412 B13R1.14 C[C@@H](CO)CSc1cnc(nc1)Cl 62a_100000059775_100000059175 [0,0,0,0,0,0|3,1,0]=4 413 B13R1.14 C[C@@H](CO)CSc1ncc(cn1)Cl 62a_100000059175_100011356929 [0,0,0,0,0,0|3,1,0]=4 414 B13R1.14 C[C@@H](CO)CSc1ncc(cn1)Cl 62a_100011356929_100000059175 [0,0,0,0,0,0|3,1,0]=4 415 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,0,0,0,0,0|4,0,0]=4 416 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,0,0,0,0,0|4,0,0]=4 417 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,0,0,0,0,0|3,1,0]=4 418 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,0,0,0,0,0|3,1,0]=4 419 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,0,0,0,0,0|3,1,0]=4 420 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,0,0,0,0,0|3,0,0]=3 421 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,0,0,0,0,0|3,0,0]=3 422 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,0,0,0,0,0|3,0,0]=3 423 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,0,0,0,0,0|3,1,0]=4 424 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,0,0,0,0,0|3,1,0]=4 425 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,0,0,0,0,0|3,1,0]=4 426 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,0,0,0,0,0|3,1,0]=4 427 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,0,0,0,0,0|3,1,0]=4 428 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 207a_100000737577_100011361569 [0,0,0,0,0,0|4,0,0]=4 429 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 2230a_100000737577_100012066911 [0,0,0,0,0,0|4,0,0]=4 430 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 270004a_100000737577_100011361569 [0,0,0,0,0,0|4,0,0]=4 431 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Cl 2230a_100000737577_100000735431 [0,0,0,0,0,0|4,0,0]=4 432 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,0,0,0,0,0|3,1,0]=4 433 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,0,0,0,0,0|3,1,0]=4 434 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,0,0,0,0,0|3,0,0]=3 435 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,0,0,0,0,0|3,0,0]=3 436 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,0,0,0,0,0|3,1,0]=4 437 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,0,0,0,0,0|3,1,0]=4 438 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,0,0,0,0,0|3,1,0]=4 439 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,0,0,0,0,0|3,1,0]=4 440 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100012066911_100016084084 [0,0,0,0,0,0|4,0,0]=4 441 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100016084084_100000697101 [0,0,0,0,0,0|4,0,0]=4 442 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100000735431_100016084084 [0,0,0,0,0,0|4,0,0]=4 443 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100016084084_100000735431 [0,0,0,0,0,0|4,0,0]=4 444 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,0,0,0,0,0|2,0,2]=4 445 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,0,0,0,0,0|4,0,0]=4 446 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,0,0,0,0,0|4,0,0]=4 447 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,0,0,0,0,0|4,0,0]=4 448 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,0,0,0,0,0|4,0,0]=4 449 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,0,0,0,0,0|4,0,0]=4 450 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,0,0,0,0,0|4,0,0]=4 451 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,0,0,0,0,0|4,0,0]=4 452 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,0,0,0,0,0|4,0,0]=4 453 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,0,0,0,0,0|4,0,0]=4 454 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,0,0,0,0,0|4,0,0]=4 455 B13R1.14 Cc1ccc(cc1)NCC(O)CO 34a_100000124888_100011219619 [0,0,0,0,0,0|2,0,0]=2 456 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,0,0,0,0,0|3,0,0]=3 457 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CF 34a_100000124888_100015614560 [0,0,0,0,0,0|3,0,0]=3 458 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CO 34a_100000124888_100009815848 [0,0,0,0,0,0|2,0,0]=2 459 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [0,0,0,0,0,0|2,0,2]=4 460 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 2230a_100000743913_200025704644 [0,0,0,0,0,0|4,0,0]=4 461 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 34a_100000743913_200025704644 [0,0,0,0,0,0|4,0,0]=4 462 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,0,0,0,0,0|4,0,0]=4 463 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,0,0,0,0,0|4,0,0]=4 464 B13R1.14 Cc1ccc(cc1)OCC(O)CO 34a_100000210336_100011219619 [0,0,0,0,0,0|1,0,0]=1 465 B13R1.14 Cc1ccc(cc1)OCC(O)CO 7a_100000210336_100011219619 [0,0,0,0,0,0|1,0,0]=1 466 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,0,0,0,0,0|2,0,0]=2 467 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,0,0,0,0,0|2,0,0]=2 468 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000210336_100015614560 [0,0,0,0,0,0|2,0,0]=2 469 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000210336_100015614560 [0,0,0,0,0,0|2,0,0]=2 470 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210336_100009815848 [0,0,0,0,0,0|1,0,0]=1 471 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210336_100009815848 [0,0,0,0,0,0|1,0,0]=1 472 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100000186775_100011219619 [0,0,0,0,0,0|1,1,0]=2 473 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000186775 [0,0,0,0,0,0|1,1,0]=2 474 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,0,0,0,0,0|2,1,0]=3 475 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,0,0,0,0,0|2,1,0]=3 476 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100000186775_100015614560 [0,0,0,0,0,0|2,1,0]=3 477 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000186775 [0,0,0,0,0,0|2,1,0]=3 478 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000186775_100009815848 [0,0,0,0,0,0|1,1,0]=2 479 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000186775 [0,0,0,0,0,0|1,1,0]=2 480 B13R1.14 Cc1ccc(cn1)OCC(O)CO 34a_100000745506_100011219619 [0,0,0,0,0,0|2,0,0]=2 481 B13R1.14 Cc1ccc(cn1)OCC(O)CO 7a_100000745506_100011219619 [0,0,0,0,0,0|2,0,0]=2 482 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 34a_100000745506_100000059175 [0,0,0,0,0,0|3,0,0]=3 483 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 7a_100000745506_100000059175 [0,0,0,0,0,0|3,0,0]=3 484 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CF 34a_100000745506_100015614560 [0,0,0,0,0,0|3,0,0]=3 485 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CF 7a_100000745506_100015614560 [0,0,0,0,0,0|3,0,0]=3 486 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 34a_100000745506_100009815848 [0,0,0,0,0,0|2,0,0]=2 487 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 7a_100000745506_100009815848 [0,0,0,0,0,0|2,0,0]=2 488 B13R1.14 Cc1ccc(cn1)SCC(O)CO 62a_100000751577_100011219619 [0,0,0,0,0,0|2,1,0]=3 489 B13R1.14 Cc1ccc(cn1)SCC(O)CO 62a_100011219619_100000751577 [0,0,0,0,0,0|2,1,0]=3 490 B13R1.14 Cc1ccc(cn1)SC[C@@H](C)CO 62a_100000059175_100000751577 [0,0,0,0,0,0|3,1,0]=4 491 B13R1.14 Cc1ccc(cn1)SC[C@@H](C)CO 62a_100000751577_100000059175 [0,0,0,0,0,0|3,1,0]=4 492 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CF 62a_100000751577_100015614560 [0,0,0,0,0,0|3,1,0]=4 493 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CF 62a_100015614560_100000751577 [0,0,0,0,0,0|3,1,0]=4 494 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CO 62a_100000751577_100009815848 [0,0,0,0,0,0|2,1,0]=3 495 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000751577 [0,0,0,0,0,0|2,1,0]=3 496 B13R1.14 Cc1ccc(nc1)OCC(O)CO 34a_100000759353_100011219619 [0,0,0,0,0,0|2,0,0]=2 497 B13R1.14 Cc1ccc(nc1)OC[C@@H](C)CO 34a_100000759353_100000059175 [0,0,0,0,0,0|3,0,0]=3 498 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CF 34a_100000759353_100015614560 [0,0,0,0,0,0|3,0,0]=3 499 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CO 34a_100000759353_100009815848 [0,0,0,0,0,0|2,0,0]=2 500 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011192072_100011219619 [0,0,0,0,0,0|2,1,0]=3 501 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011219619_100000754016 [0,0,0,0,0,0|2,1,0]=3 502 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100000059175_100000754016 [0,0,0,0,0,0|3,1,0]=4 503 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100011192072_100000059175 [0,0,0,0,0,0|3,1,0]=4 504 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CF 62a_100011192072_100015614560 [0,0,0,0,0,0|3,1,0]=4 505 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000754016 [0,0,0,0,0,0|3,1,0]=4 506 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000754016 [0,0,0,0,0,0|2,1,0]=3 507 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100011192072_100009815848 [0,0,0,0,0,0|2,1,0]=3 508 B13R1.14 Cc1ccc(nn1)NC[C@H](O)CO 27a_100020644852_100000744512 [0,0,0,0,0,0|4,0,0]=4 509 B13R1.14 Cc1ccc(nn1)SCC(O)CO 62a_100000744512_100011219619 [0,0,0,0,0,0|3,1,0]=4 510 B13R1.14 Cc1ccc(nn1)SCC(O)CO 62a_100011219619_100000744512 [0,0,0,0,0,0|3,1,0]=4 511 B13R1.14 Cc1ccc(nn1)SC[C@@H](O)CO 62a_100000744512_100009815848 [0,0,0,0,0,0|3,1,0]=4 512 B13R1.14 Cc1ccc(nn1)SC[C@@H](O)CO 62a_100009815848_100000744512 [0,0,0,0,0,0|3,1,0]=4 513 B13R1.14 Cc1cnc(cn1)NC[C@H](O)CO 27a_100020644852_100000074397 [0,0,0,0,0,0|4,0,0]=4 514 B13R1.14 Cc1cnc(cn1)SCC(O)CO 62a_100011219619_100011999403 [0,0,0,0,0,0|3,1,0]=4 515 B13R1.14 Cc1cnc(cn1)SCC(O)CO 62a_100011999403_100011219619 [0,0,0,0,0,0|3,1,0]=4 516 B13R1.14 Cc1cnc(cn1)SC[C@@H](O)CO 62a_100009815848_100011999403 [0,0,0,0,0,0|3,1,0]=4 517 B13R1.14 Cc1cnc(cn1)SC[C@@H](O)CO 62a_100011999403_100009815848 [0,0,0,0,0,0|3,1,0]=4 518 B13R1.14 Cc1cnc(nc1)NC[C@H](O)CO 27a_100020644852_100000061069 [0,0,0,0,0,0|4,0,0]=4 519 B13R1.14 Cc1cnc(nc1)SCC(O)CO 62a_100000061069_100011219619 [0,0,0,0,0,0|3,1,0]=4 520 B13R1.14 Cc1cnc(nc1)SCC(O)CO 62a_100011219619_100000061069 [0,0,0,0,0,0|3,1,0]=4 521 B13R1.14 Cc1cnc(nc1)SC[C@@H](O)CO 62a_100000061069_100009815848 [0,0,0,0,0,0|3,1,0]=4 522 B13R1.14 Cc1cnc(nc1)SC[C@@H](O)CO 62a_100009815848_100000061069 [0,0,0,0,0,0|3,1,0]=4 523 B13R1.14 Cc1ncc(cn1)OCC(O)CO 34a_100000062939_100011219619 [0,0,0,0,0,0|3,0,0]=3 524 B13R1.14 Cc1ncc(cn1)OCC(O)CO 7a_100000062939_100011219619 [0,0,0,0,0,0|3,0,0]=3 525 B13R1.14 Cc1ncc(cn1)OC[C@@H](C)CO 34a_100000062939_100000059175 [0,0,0,0,0,0|4,0,0]=4 526 B13R1.14 Cc1ncc(cn1)OC[C@@H](C)CO 7a_100000062939_100000059175 [0,0,0,0,0,0|4,0,0]=4 527 B13R1.14 Cc1ncc(cn1)OC[C@@H](O)CF 34a_100000062939_100015614560 [0,0,0,0,0,0|4,0,0]=4 528 B13R1.14 Cc1ncc(cn1)OC[C@@H](O)CF 7a_100000062939_100015614560 [0,0,0,0,0,0|4,0,0]=4 529 B13R1.14 Cc1ncc(cn1)OC[C@@H](O)CO 34a_100000062939_100009815848 [0,0,0,0,0,0|3,0,0]=3 530 B13R1.14 Cc1ncc(cn1)OC[C@@H](O)CO 7a_100000062939_100009815848 [0,0,0,0,0,0|3,0,0]=3 531 B13R1.14 Cc1ncc(cn1)SCC(O)CO 62a_100000686985_100011219619 [0,0,0,0,0,0|3,1,0]=4 532 B13R1.14 Cc1ncc(cn1)SCC(O)CO 62a_100011219619_100000686985 [0,0,0,0,0,0|3,1,0]=4 533 B13R1.14 Cc1ncc(cn1)SC[C@@H](O)CO 62a_100000686985_100009815848 [0,0,0,0,0,0|3,1,0]=4 534 B13R1.14 Cc1ncc(cn1)SC[C@@H](O)CO 62a_100009815848_100000686985 [0,0,0,0,0,0|3,1,0]=4 535 B13R1.14 Nc1ccc(cc1)OCC(O)CO 34a_100000185829_100011219619 [0,0,0,0,0,0|1,0,0]=1 536 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CF 34a_100000185829_100015614560 [0,0,0,0,0,0|2,0,0]=2 537 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000185829_100009815848 [0,0,0,0,0,0|1,0,0]=1 538 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100000185761_100011219619 [0,0,0,0,0,0|1,1,0]=2 539 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100011219619_100000185761 [0,0,0,0,0,0|1,1,0]=2 540 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100000185761_100015614560 [0,0,0,0,0,0|2,1,0]=3 541 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185761 [0,0,0,0,0,0|2,1,0]=3 542 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100000185761_100009815848 [0,0,0,0,0,0|1,1,0]=2 543 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185761 [0,0,0,0,0,0|1,1,0]=2 544 B13R1.14 Nc1ccc(cn1)OCC(O)CO 34a_100015188713_100011219619 [0,0,0,0,0,0|2,0,0]=2 545 B13R1.14 Nc1ccc(cn1)OCC(O)CO 7a_100015188713_100011219619 [0,0,0,0,0,0|2,0,0]=2 546 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CF 34a_100015188713_100015614560 [0,0,0,0,0,0|3,0,0]=3 547 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CF 7a_100015188713_100015614560 [0,0,0,0,0,0|3,0,0]=3 548 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 34a_100015188713_100009815848 [0,0,0,0,0,0|2,0,0]=2 549 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 7a_100015188713_100009815848 [0,0,0,0,0,0|2,0,0]=2 550 B13R1.14 Nc1ccc(cn1)SCC(O)CO 62a_100000187370_100011219619 [0,0,0,0,0,0|2,1,0]=3 551 B13R1.14 Nc1ccc(cn1)SCC(O)CO 62a_100011219619_100000187370 [0,0,0,0,0,0|2,1,0]=3 552 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CF 62a_100000187370_100015614560 [0,0,0,0,0,0|3,1,0]=4 553 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CF 62a_100015614560_100000187370 [0,0,0,0,0,0|3,1,0]=4 554 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CO 62a_100000187370_100009815848 [0,0,0,0,0,0|2,1,0]=3 555 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000187370 [0,0,0,0,0,0|2,1,0]=3 556 B13R1.14 Nc1ccc(nc1)OCC(O)CO 34a_100000729260_100011219619 [0,0,0,0,0,0|2,0,0]=2 557 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CF 34a_100000729260_100015614560 [0,0,0,0,0,0|3,0,0]=3 558 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CO 34a_100000729260_100009815848 [0,0,0,0,0,0|2,0,0]=2 559 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100000737798_100011219619 [0,0,0,0,0,0|2,1,0]=3 560 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100011219619_100000737798 [0,0,0,0,0,0|2,1,0]=3 561 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CF 62a_100000737798_100015614560 [0,0,0,0,0,0|3,1,0]=4 562 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000737798 [0,0,0,0,0,0|3,1,0]=4 563 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100000737798_100009815848 [0,0,0,0,0,0|2,1,0]=3 564 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000737798 [0,0,0,0,0,0|2,1,0]=3 565 B13R1.14 Nc1ccc(nn1)SCC(O)CO 62a_100010219413_100011219619 [0,0,0,0,0,0|3,1,0]=4 566 B13R1.14 Nc1ccc(nn1)SCC(O)CO 62a_100011219619_100010219413 [0,0,0,0,0,0|3,1,0]=4 567 B13R1.14 Nc1ccc(nn1)SC[C@@H](O)CO 62a_100009815848_100010219413 [0,0,0,0,0,0|3,1,0]=4 568 B13R1.14 Nc1ccc(nn1)SC[C@@H](O)CO 62a_100010219413_100009815848 [0,0,0,0,0,0|3,1,0]=4 569 B13R1.14 Nc1cnc(cn1)SCC(O)CO 62a_100000744751_100011219619 [0,0,0,0,0,0|3,1,0]=4 570 B13R1.14 Nc1cnc(cn1)SCC(O)CO 62a_100011219619_100000744751 [0,0,0,0,0,0|3,1,0]=4 571 B13R1.14 Nc1cnc(cn1)SC[C@@H](O)CO 62a_100000744751_100009815848 [0,0,0,0,0,0|3,1,0]=4 572 B13R1.14 Nc1cnc(cn1)SC[C@@H](O)CO 62a_100009815848_100000744751 [0,0,0,0,0,0|3,1,0]=4 573 B13R1.14 Nc1cnc(nc1)SCC(O)CO 62a_100000068403_100011219619 [0,0,0,0,0,0|3,1,0]=4 574 B13R1.14 Nc1cnc(nc1)SCC(O)CO 62a_100011219619_100000068403 [0,0,0,0,0,0|3,1,0]=4 575 B13R1.14 Nc1cnc(nc1)SC[C@@H](O)CO 62a_100000068403_100009815848 [0,0,0,0,0,0|3,1,0]=4 576 B13R1.14 Nc1cnc(nc1)SC[C@@H](O)CO 62a_100009815848_100000068403 [0,0,0,0,0,0|3,1,0]=4 577 B13R1.14 Nc1ncc(cn1)OCC(O)CO 34a_100000087137_100011219619 [0,0,0,0,0,0|3,0,0]=3 578 B13R1.14 Nc1ncc(cn1)OCC(O)CO 7a_100000087137_100011219619 [0,0,0,0,0,0|3,0,0]=3 579 B13R1.14 Nc1ncc(cn1)OC[C@@H](O)CF 34a_100000087137_100015614560 [0,0,0,0,0,0|4,0,0]=4 580 B13R1.14 Nc1ncc(cn1)OC[C@@H](O)CF 7a_100000087137_100015614560 [0,0,0,0,0,0|4,0,0]=4 581 B13R1.14 Nc1ncc(cn1)OC[C@@H](O)CO 34a_100000087137_100009815848 [0,0,0,0,0,0|3,0,0]=3 582 B13R1.14 Nc1ncc(cn1)OC[C@@H](O)CO 7a_100000087137_100009815848 [0,0,0,0,0,0|3,0,0]=3 583 B13R1.14 Nc1ncc(cn1)SCC(O)CO 62a_100000766020_100011219619 [0,0,0,0,0,0|3,1,0]=4 584 B13R1.14 Nc1ncc(cn1)SCC(O)CO 62a_100011219619_100000766020 [0,0,0,0,0,0|3,1,0]=4 585 B13R1.14 Nc1ncc(cn1)SC[C@@H](O)CO 62a_100000766020_100009815848 [0,0,0,0,0,0|3,1,0]=4 586 B13R1.14 Nc1ncc(cn1)SC[C@@H](O)CO 62a_100009815848_100000766020 [0,0,0,0,0,0|3,1,0]=4 587 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [0,0,0,0,0,0|2,0,2]=4 588 B13R1.14 O=C(CF)COc1ccc(cc1)Br 1458a_100000182358_100015361967 [0,0,0,0,0,0|1,1,2]=4 589 B13R1.14 O=C(CF)COc1ccc(cc1)Cl 1458a_100016990877_100015361967 [0,0,0,0,0,0|1,0,2]=3 590 B13R1.14 O=C(CF)COc1ccc(cc1)F 1458a_100000184765_100015361967 [0,0,0,0,0,0|1,1,2]=4 591 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [0,0,0,0,0,0|1,1,2]=4 592 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [0,0,0,0,0,0|2,0,2]=4 593 B13R1.14 O=C(CF)CSc1ccc(cc1)Cl 1458a_100000178402_100015361967 [0,0,0,0,0,0|1,1,2]=4 594 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,0,0,0,0,0|1,1,2]=4 595 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,0,0,0,0,0|1,0,2]=3 596 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,0,0,0,0,0|1,1,2]=4 597 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,0,0,0,0,0|2,0,2]=4 598 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,0,0,0,0,0|2,0,2]=4 599 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,0,0,0,0,0|2,0,2]=4 600 B13R1.14 O=C(CO)NNc1ccc(cc1)Cl 22a_100000683521_100000210174 [0,0,0,0,0,0|2,0,2]=4 601 B13R1.14 O=c1ccc(c[nH]1)OCC(O)CO 34a_100000075641_100011219619 [0,0,0,0,0,0|2,0,0]=2 602 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CF 34a_100000075641_100015614560 [0,0,0,0,0,0|3,0,0]=3 603 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CO 34a_100000075641_100009815848 [0,0,0,0,0,0|2,0,0]=2 604 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100000212171_100011219619 [0,0,0,0,0,0|2,1,0]=3 605 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100011219619_100000212171 [0,0,0,0,0,0|2,1,0]=3 606 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CF 62a_100000212171_100015614560 [0,0,0,0,0,0|3,1,0]=4 607 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CF 62a_100015614560_100000212171 [0,0,0,0,0,0|3,1,0]=4 608 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100000212171_100009815848 [0,0,0,0,0,0|2,1,0]=3 609 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100009815848_100000212171 [0,0,0,0,0,0|2,1,0]=3 610 B13R1.14 O=c1ccc(n[nH]1)SCC(O)CO 62a_100009820020_100011219619 [0,0,0,0,0,0|3,1,0]=4 611 B13R1.14 O=c1ccc(n[nH]1)SCC(O)CO 62a_100011219619_100009820020 [0,0,0,0,0,0|3,1,0]=4 612 B13R1.14 O=c1ccc(n[nH]1)SC[C@@H](O)CO 62a_100009815848_100009820020 [0,0,0,0,0,0|3,1,0]=4 613 B13R1.14 O=c1ccc(n[nH]1)SC[C@@H](O)CO 62a_100009820020_100009815848 [0,0,0,0,0,0|3,1,0]=4 614 B13R1.14 O=c1ncc(c[nH]1)SCC(O)CO 62a_100011219619_102495366499 [0,0,0,0,0,0|3,1,0]=4 615 B13R1.14 O=c1ncc(c[nH]1)SCC(O)CO 62a_102495366499_100011219619 [0,0,0,0,0,0|3,1,0]=4 616 B13R1.14 O=c1ncc(c[nH]1)SC[C@@H](O)CO 62a_100009815848_102495366499 [0,0,0,0,0,0|3,1,0]=4 617 B13R1.14 O=c1ncc(c[nH]1)SC[C@@H](O)CO 62a_102495366499_100009815848 [0,0,0,0,0,0|3,1,0]=4 618 B13R1.14 OCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011219619 [0,0,0,0,0,0|1,1,0]=2 619 B13R1.14 OCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011219619 [0,0,0,0,0,0|1,1,0]=2 620 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011219619 [0,0,0,0,0,0|1,0,0]=1 621 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011219619 [0,0,0,0,0,0|1,0,0]=1 622 B13R1.14 OCC(O)CNc1ccc(cc1)F 34a_100000185862_100011219619 [0,0,0,0,0,0|1,1,0]=2 623 B13R1.14 OCC(O)CNc1ccc(cc1)I 34a_100000185761_100011219619 [0,0,0,0,0,0|1,1,0]=2 624 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,0,0,0,0,0|2,0,0]=2 625 B13R1.14 OCC(O)COc1ccc(cc1)Br 34a_100000185759_100011219619 [0,0,0,0,0,0|0,1,0]=1 626 B13R1.14 OCC(O)COc1ccc(cc1)Br 7a_100000185759_100011219619 [0,0,0,0,0,0|0,1,0]=1 627 B13R1.14 OCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011219619 [0,0,0,0,0,0|0,0,0]=0 628 B13R1.14 OCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011219619 [0,0,0,0,0,0|0,0,0]=0 629 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [0,0,0,0,0,0|0,1,0]=1 630 B13R1.14 OCC(O)COc1ccc(cc1)I 34a_100000212066_100011219619 [0,0,0,0,0,0|0,1,0]=1 631 B13R1.14 OCC(O)COc1ccc(cc1)I 7a_100000212066_100011219619 [0,0,0,0,0,0|0,1,0]=1 632 B13R1.14 OCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011219619 [0,0,0,0,0,0|1,0,0]=1 633 B13R1.14 OCC(O)COc1ccc(cn1)F 34a_100000742473_100011219619 [0,0,0,0,0,0|1,1,0]=2 634 B13R1.14 OCC(O)COc1ccc(nc1)Br 34a_100000685995_100011219619 [0,0,0,0,0,0|1,1,0]=2 635 B13R1.14 OCC(O)COc1ccc(nc1)Br 7a_100000685995_100011219619 [0,0,0,0,0,0|1,1,0]=2 636 B13R1.14 OCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011219619 [0,0,0,0,0,0|1,0,0]=1 637 B13R1.14 OCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011219619 [0,0,0,0,0,0|1,0,0]=1 638 B13R1.14 OCC(O)COc1ccc(nc1)F 34a_100000688820_100011219619 [0,0,0,0,0,0|1,1,0]=2 639 B13R1.14 OCC(O)COc1ccc(nc1)F 7a_100000688820_100011219619 [0,0,0,0,0,0|1,1,0]=2 640 B13R1.14 OCC(O)COc1ccc(nc1)I 34a_100000687607_100011219619 [0,0,0,0,0,0|1,1,0]=2 641 B13R1.14 OCC(O)COc1ccc(nc1)I 7a_100000687607_100011219619 [0,0,0,0,0,0|1,1,0]=2 642 B13R1.14 OCC(O)COc1cnc(cn1)Br 34a_100011934580_100011219619 [0,0,0,0,0,0|2,1,0]=3 643 B13R1.14 OCC(O)COc1cnc(cn1)Cl 34a_100015839800_100011219619 [0,0,0,0,0,0|2,0,0]=2 644 B13R1.14 OCC(O)COc1cnc(nc1)Br 34a_100000730009_100011219619 [0,0,0,0,0,0|2,1,0]=3 645 B13R1.14 OCC(O)COc1cnc(nc1)Br 7a_100000730009_100011219619 [0,0,0,0,0,0|2,1,0]=3 646 B13R1.14 OCC(O)COc1cnc(nc1)Cl 34a_100000092845_100011219619 [0,0,0,0,0,0|2,0,0]=2 647 B13R1.14 OCC(O)COc1cnc(nc1)Cl 7a_100000092845_100011219619 [0,0,0,0,0,0|2,0,0]=2 648 B13R1.14 OCC(O)COc1cnc(nc1)F 34a_200009874573_100011219619 [0,0,0,0,0,0|2,1,0]=3 649 B13R1.14 OCC(O)COc1cnc(nc1)F 7a_200009874573_100011219619 [0,0,0,0,0,0|2,1,0]=3 650 B13R1.14 OCC(O)COc1ncc(cn1)F 34a_100011934040_100011219619 [0,0,0,0,0,0|2,1,0]=3 651 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011219619 [0,0,0,0,0,0|0,2,0]=2 652 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100011219619_100000752885 [0,0,0,0,0,0|0,2,0]=2 653 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011219619 [0,0,0,0,0,0|0,1,0]=1 654 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100011219619_100000755918 [0,0,0,0,0,0|0,1,0]=1 655 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100000211213_100011219619 [0,0,0,0,0,0|0,2,0]=2 656 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100011219619_100000211213 [0,0,0,0,0,0|0,2,0]=2 657 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,0,0,0,0,0|1,1,0]=2 658 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011219619 [0,0,0,0,0,0|1,2,0]=3 659 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100011219619_100000686858 [0,0,0,0,0,0|1,2,0]=3 660 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011219619_100011356976 [0,0,0,0,0,0|1,1,0]=2 661 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011219619 [0,0,0,0,0,0|1,1,0]=2 662 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100000744514_100011219619 [0,0,0,0,0,0|1,2,0]=3 663 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100011219619_100000744514 [0,0,0,0,0,0|1,2,0]=3 664 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100000685995_100011219619 [0,0,0,0,0,0|2,1,0]=3 665 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100011219619_100000744096 [0,0,0,0,0,0|2,1,0]=3 666 B13R1.14 OCC(O)CSc1ccc(nc1)Br 62a_100009814638_100011219619 [0,0,0,0,0,0|1,2,0]=3 667 B13R1.14 OCC(O)CSc1ccc(nc1)Br 62a_100011219619_100009814638 [0,0,0,0,0,0|1,2,0]=3 668 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011219619 [0,0,0,0,0,0|1,1,0]=2 669 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100011219619_100000034144 [0,0,0,0,0,0|1,1,0]=2 670 B13R1.14 OCC(O)CSc1ccc(nc1)F 62a_100000042367_100011219619 [0,0,0,0,0,0|1,2,0]=3 671 B13R1.14 OCC(O)CSc1ccc(nc1)F 62a_100011219619_100000042367 [0,0,0,0,0,0|1,2,0]=3 672 B13R1.14 OCC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011219619 [0,0,0,0,0,0|2,1,0]=3 673 B13R1.14 OCC(O)CSc1ccc(nn1)Cl 62a_100011219619_100000068654 [0,0,0,0,0,0|2,1,0]=3 674 B13R1.14 OCC(O)CSc1cnc(cn1)Br 62a_100010187541_100011219619 [0,0,0,0,0,0|2,2,0]=4 675 B13R1.14 OCC(O)CSc1cnc(cn1)Br 62a_100011219619_100010187541 [0,0,0,0,0,0|2,2,0]=4 676 B13R1.14 OCC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011219619 [0,0,0,0,0,0|2,1,0]=3 677 B13R1.14 OCC(O)CSc1cnc(cn1)Cl 62a_100011219619_100010214907 [0,0,0,0,0,0|2,1,0]=3 678 B13R1.14 OCC(O)CSc1cnc(cn1)F 62a_100009856528_100011219619 [0,0,0,0,0,0|2,2,0]=4 679 B13R1.14 OCC(O)CSc1cnc(cn1)F 62a_100011219619_100009856528 [0,0,0,0,0,0|2,2,0]=4 680 B13R1.14 OCC(O)CSc1cnc(cn1)O 62a_100011219619_100015839800 [0,0,0,0,0,0|3,1,0]=4 681 B13R1.14 OCC(O)CSc1cnc(cn1)O 62a_100011934580_100011219619 [0,0,0,0,0,0|3,1,0]=4 682 B13R1.14 OCC(O)CSc1cnc(nc1)Br 62a_100011219619_200012349914 [0,0,0,0,0,0|2,2,0]=4 683 B13R1.14 OCC(O)CSc1cnc(nc1)Br 62a_200012349914_100011219619 [0,0,0,0,0,0|2,2,0]=4 684 B13R1.14 OCC(O)CSc1cnc(nc1)Cl 62a_100000059775_100011219619 [0,0,0,0,0,0|2,1,0]=3 685 B13R1.14 OCC(O)CSc1cnc(nc1)Cl 62a_100011219619_100000059775 [0,0,0,0,0,0|2,1,0]=3 686 B13R1.14 OCC(O)CSc1cnc(nc1)F 62a_100000685262_100011219619 [0,0,0,0,0,0|2,2,0]=4 687 B13R1.14 OCC(O)CSc1cnc(nc1)F 62a_100011219619_100000685262 [0,0,0,0,0,0|2,2,0]=4 688 B13R1.14 OCC(O)CSc1ncc(cn1)Br 62a_100000690281_100011219619 [0,0,0,0,0,0|2,2,0]=4 689 B13R1.14 OCC(O)CSc1ncc(cn1)Br 62a_100011219619_100000690281 [0,0,0,0,0,0|2,2,0]=4 690 B13R1.14 OCC(O)CSc1ncc(cn1)Cl 62a_100011219619_100011356929 [0,0,0,0,0,0|2,1,0]=3 691 B13R1.14 OCC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011219619 [0,0,0,0,0,0|2,1,0]=3 692 B13R1.14 OCC(O)CSc1ncc(cn1)F 62a_100000685220_100011219619 [0,0,0,0,0,0|2,2,0]=4 693 B13R1.14 OCC(O)CSc1ncc(cn1)F 62a_100011219619_100000685220 [0,0,0,0,0,0|2,2,0]=4 694 B13R1.14 OCC(O)CSc1ncc(cn1)O 62a_100000730009_100011219619 [0,0,0,0,0,0|3,1,0]=4 695 B13R1.14 OCC(O)CSc1ncc(cn1)O 62a_100011219619_100000092845 [0,0,0,0,0,0|3,1,0]=4 696 B13R1.14 OC[C@@H](O)CNc1ccc(cn1)Br 27a_100020644852_100000686858 [0,0,0,0,0,0|2,1,0]=3 697 B13R1.14 OC[C@@H](O)CNc1cnc(cn1)Br 27a_100020644852_100010187541 [0,0,0,0,0,0|3,1,0]=4 698 B13R1.14 OC[C@@H](O)CNc1cnc(cn1)F 27a_100020644852_100009856528 [0,0,0,0,0,0|3,1,0]=4 699 B13R1.14 OC[C@@H](O)CNc1ncc(cn1)Br 27a_100020644852_100000690281 [0,0,0,0,0,0|3,1,0]=4 700 B13R1.14 OC[C@@H](O)CNc1ncc(cn1)Cl 27a_100020644852_100011356929 [0,0,0,0,0,0|3,0,0]=3 701 B13R1.14 OC[C@@H](O)CNc1ncc(cn1)F 27a_100020644852_100000685220 [0,0,0,0,0,0|3,1,0]=4 702 B13R1.14 OC[C@H](F)CNc1ccc(cn1)Br 27a_100015665980_100000686858 [0,0,0,0,0,0|3,1,0]=4 703 B13R1.14 OC[C@H](F)CNc1ncc(cn1)Cl 27a_100015665980_100011356929 [0,0,0,0,0,0|4,0,0]=4 704 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009815848 [0,0,0,0,0,0|1,1,0]=2 705 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009815848 [0,0,0,0,0,0|1,1,0]=2 706 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009815848 [0,0,0,0,0,0|1,0,0]=1 707 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009815848 [0,0,0,0,0,0|1,0,0]=1 708 B13R1.14 OC[C@H](O)CNc1ccc(cc1)F 34a_100000185862_100009815848 [0,0,0,0,0,0|1,1,0]=2 709 B13R1.14 OC[C@H](O)CNc1ccc(cc1)I 34a_100000185761_100009815848 [0,0,0,0,0,0|1,1,0]=2 710 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,0,0,0,0,0|2,0,0]=2 711 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 34a_100000185759_100009815848 [0,0,0,0,0,0|0,1,0]=1 712 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100009815848 [0,0,0,0,0,0|0,1,0]=1 713 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009815848 [0,0,0,0,0,0|0,0,0]=0 714 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009815848 [0,0,0,0,0,0|0,0,0]=0 715 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [0,0,0,0,0,0|0,1,0]=1 716 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 34a_100000212066_100009815848 [0,0,0,0,0,0|0,1,0]=1 717 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100009815848 [0,0,0,0,0,0|0,1,0]=1 718 B13R1.14 OC[C@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009815848 [0,0,0,0,0,0|1,0,0]=1 719 B13R1.14 OC[C@H](O)COc1ccc(cn1)F 34a_100000742473_100009815848 [0,0,0,0,0,0|1,1,0]=2 720 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 34a_100000685995_100009815848 [0,0,0,0,0,0|1,1,0]=2 721 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 7a_100000685995_100009815848 [0,0,0,0,0,0|1,1,0]=2 722 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009815848 [0,0,0,0,0,0|1,0,0]=1 723 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009815848 [0,0,0,0,0,0|1,0,0]=1 724 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 34a_100000688820_100009815848 [0,0,0,0,0,0|1,1,0]=2 725 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 7a_100000688820_100009815848 [0,0,0,0,0,0|1,1,0]=2 726 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 34a_100000687607_100009815848 [0,0,0,0,0,0|1,1,0]=2 727 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 7a_100000687607_100009815848 [0,0,0,0,0,0|1,1,0]=2 728 B13R1.14 OC[C@H](O)COc1cnc(cn1)Br 34a_100011934580_100009815848 [0,0,0,0,0,0|2,1,0]=3 729 B13R1.14 OC[C@H](O)COc1cnc(cn1)Cl 34a_100015839800_100009815848 [0,0,0,0,0,0|2,0,0]=2 730 B13R1.14 OC[C@H](O)COc1cnc(nc1)Br 34a_100000730009_100009815848 [0,0,0,0,0,0|2,1,0]=3 731 B13R1.14 OC[C@H](O)COc1cnc(nc1)Br 7a_100000730009_100009815848 [0,0,0,0,0,0|2,1,0]=3 732 B13R1.14 OC[C@H](O)COc1cnc(nc1)Cl 34a_100000092845_100009815848 [0,0,0,0,0,0|2,0,0]=2 733 B13R1.14 OC[C@H](O)COc1cnc(nc1)Cl 7a_100000092845_100009815848 [0,0,0,0,0,0|2,0,0]=2 734 B13R1.14 OC[C@H](O)COc1cnc(nc1)F 34a_200009874573_100009815848 [0,0,0,0,0,0|2,1,0]=3 735 B13R1.14 OC[C@H](O)COc1cnc(nc1)F 7a_200009874573_100009815848 [0,0,0,0,0,0|2,1,0]=3 736 B13R1.14 OC[C@H](O)COc1ncc(cn1)F 34a_100011934040_100009815848 [0,0,0,0,0,0|2,1,0]=3 737 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009815848 [0,0,0,0,0,0|0,2,0]=2 738 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100009815848_100000752885 [0,0,0,0,0,0|0,2,0]=2 739 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009815848 [0,0,0,0,0,0|0,1,0]=1 740 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100009815848_100000755918 [0,0,0,0,0,0|0,1,0]=1 741 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100000211213_100009815848 [0,0,0,0,0,0|0,2,0]=2 742 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100009815848_100000211213 [0,0,0,0,0,0|0,2,0]=2 743 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,0,0,0,0,0|1,1,0]=2 744 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009815848 [0,0,0,0,0,0|1,2,0]=3 745 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100009815848_100000686858 [0,0,0,0,0,0|1,2,0]=3 746 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100009815848_100011356976 [0,0,0,0,0,0|1,1,0]=2 747 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009815848 [0,0,0,0,0,0|1,1,0]=2 748 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100000744514_100009815848 [0,0,0,0,0,0|1,2,0]=3 749 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100009815848_100000744514 [0,0,0,0,0,0|1,2,0]=3 750 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100000685995_100009815848 [0,0,0,0,0,0|2,1,0]=3 751 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100009815848_100000744096 [0,0,0,0,0,0|2,1,0]=3 752 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009815848 [0,0,0,0,0,0|1,2,0]=3 753 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Br 62a_100009815848_100009814638 [0,0,0,0,0,0|1,2,0]=3 754 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009815848 [0,0,0,0,0,0|1,1,0]=2 755 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100009815848_100000034144 [0,0,0,0,0,0|1,1,0]=2 756 B13R1.14 OC[C@H](O)CSc1ccc(nc1)F 62a_100000042367_100009815848 [0,0,0,0,0,0|1,2,0]=3 757 B13R1.14 OC[C@H](O)CSc1ccc(nc1)F 62a_100009815848_100000042367 [0,0,0,0,0,0|1,2,0]=3 758 B13R1.14 OC[C@H](O)CSc1ccc(nn1)Cl 62a_100000068654_100009815848 [0,0,0,0,0,0|2,1,0]=3 759 B13R1.14 OC[C@H](O)CSc1ccc(nn1)Cl 62a_100009815848_100000068654 [0,0,0,0,0,0|2,1,0]=3 760 B13R1.14 OC[C@H](O)CSc1cnc(cn1)Br 62a_100009815848_100010187541 [0,0,0,0,0,0|2,2,0]=4 761 B13R1.14 OC[C@H](O)CSc1cnc(cn1)Br 62a_100010187541_100009815848 [0,0,0,0,0,0|2,2,0]=4 762 B13R1.14 OC[C@H](O)CSc1cnc(cn1)Cl 62a_100009815848_100010214907 [0,0,0,0,0,0|2,1,0]=3 763 B13R1.14 OC[C@H](O)CSc1cnc(cn1)Cl 62a_100010214907_100009815848 [0,0,0,0,0,0|2,1,0]=3 764 B13R1.14 OC[C@H](O)CSc1cnc(cn1)F 62a_100009815848_100009856528 [0,0,0,0,0,0|2,2,0]=4 765 B13R1.14 OC[C@H](O)CSc1cnc(cn1)F 62a_100009856528_100009815848 [0,0,0,0,0,0|2,2,0]=4 766 B13R1.14 OC[C@H](O)CSc1cnc(cn1)O 62a_100009815848_100015839800 [0,0,0,0,0,0|3,1,0]=4 767 B13R1.14 OC[C@H](O)CSc1cnc(cn1)O 62a_100011934580_100009815848 [0,0,0,0,0,0|3,1,0]=4 768 B13R1.14 OC[C@H](O)CSc1cnc(nc1)Br 62a_100009815848_200012349914 [0,0,0,0,0,0|2,2,0]=4 769 B13R1.14 OC[C@H](O)CSc1cnc(nc1)Br 62a_200012349914_100009815848 [0,0,0,0,0,0|2,2,0]=4 770 B13R1.14 OC[C@H](O)CSc1cnc(nc1)Cl 62a_100000059775_100009815848 [0,0,0,0,0,0|2,1,0]=3 771 B13R1.14 OC[C@H](O)CSc1cnc(nc1)Cl 62a_100009815848_100000059775 [0,0,0,0,0,0|2,1,0]=3 772 B13R1.14 OC[C@H](O)CSc1cnc(nc1)F 62a_100000685262_100009815848 [0,0,0,0,0,0|2,2,0]=4 773 B13R1.14 OC[C@H](O)CSc1cnc(nc1)F 62a_100009815848_100000685262 [0,0,0,0,0,0|2,2,0]=4 774 B13R1.14 OC[C@H](O)CSc1ncc(cn1)Br 62a_100000690281_100009815848 [0,0,0,0,0,0|2,2,0]=4 775 B13R1.14 OC[C@H](O)CSc1ncc(cn1)Br 62a_100009815848_100000690281 [0,0,0,0,0,0|2,2,0]=4 776 B13R1.14 OC[C@H](O)CSc1ncc(cn1)Cl 62a_100009815848_100011356929 [0,0,0,0,0,0|2,1,0]=3 777 B13R1.14 OC[C@H](O)CSc1ncc(cn1)Cl 62a_100011356929_100009815848 [0,0,0,0,0,0|2,1,0]=3 778 B13R1.14 OC[C@H](O)CSc1ncc(cn1)F 62a_100000685220_100009815848 [0,0,0,0,0,0|2,2,0]=4 779 B13R1.14 OC[C@H](O)CSc1ncc(cn1)F 62a_100009815848_100000685220 [0,0,0,0,0,0|2,2,0]=4 780 B13R1.14 OC[C@H](O)CSc1ncc(cn1)O 62a_100000730009_100009815848 [0,0,0,0,0,0|3,1,0]=4 781 B13R1.14 OC[C@H](O)CSc1ncc(cn1)O 62a_100009815848_100000092845 [0,0,0,0,0,0|3,1,0]=4 782 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 2230a_100000210018_100015614560 [0,0,0,0,0,0|2,1,0]=3 783 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 34a_100000210018_100015614560 [0,0,0,0,0,0|2,1,0]=3 784 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 2230a_100000210052_100015614560 [0,0,0,0,0,0|2,0,0]=2 785 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 34a_100000210052_100015614560 [0,0,0,0,0,0|2,0,0]=2 786 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)F 34a_100000185862_100015614560 [0,0,0,0,0,0|2,1,0]=3 787 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)I 34a_100000185761_100015614560 [0,0,0,0,0,0|2,1,0]=3 788 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 34a_100000185759_100015614560 [0,0,0,0,0,0|1,1,0]=2 789 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 7a_100000185759_100015614560 [0,0,0,0,0,0|1,1,0]=2 790 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 34a_100000210216_100015614560 [0,0,0,0,0,0|1,0,0]=1 791 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 7a_100000210216_100015614560 [0,0,0,0,0,0|1,0,0]=1 792 B13R1.14 O[C@@H](CF)COc1ccc(cc1)F 34a_100000210339_100015614560 [0,0,0,0,0,0|1,1,0]=2 793 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 34a_100000212066_100015614560 [0,0,0,0,0,0|1,1,0]=2 794 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 7a_100000212066_100015614560 [0,0,0,0,0,0|1,1,0]=2 795 B13R1.14 O[C@@H](CF)COc1ccc(cn1)Cl 34a_100011215309_100015614560 [0,0,0,0,0,0|2,0,0]=2 796 B13R1.14 O[C@@H](CF)COc1ccc(cn1)F 34a_100000742473_100015614560 [0,0,0,0,0,0|2,1,0]=3 797 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Br 34a_100000685995_100015614560 [0,0,0,0,0,0|2,1,0]=3 798 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Br 7a_100000685995_100015614560 [0,0,0,0,0,0|2,1,0]=3 799 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Cl 34a_100000744096_100015614560 [0,0,0,0,0,0|2,0,0]=2 800 B13R1.14 O[C@@H](CF)COc1ccc(nc1)Cl 7a_100000744096_100015614560 [0,0,0,0,0,0|2,0,0]=2 801 B13R1.14 O[C@@H](CF)COc1ccc(nc1)F 34a_100000688820_100015614560 [0,0,0,0,0,0|2,1,0]=3 802 B13R1.14 O[C@@H](CF)COc1ccc(nc1)F 7a_100000688820_100015614560 [0,0,0,0,0,0|2,1,0]=3 803 B13R1.14 O[C@@H](CF)COc1ccc(nc1)I 34a_100000687607_100015614560 [0,0,0,0,0,0|2,1,0]=3 804 B13R1.14 O[C@@H](CF)COc1ccc(nc1)I 7a_100000687607_100015614560 [0,0,0,0,0,0|2,1,0]=3 805 B13R1.14 O[C@@H](CF)COc1cnc(cn1)Br 34a_100011934580_100015614560 [0,0,0,0,0,0|3,1,0]=4 806 B13R1.14 O[C@@H](CF)COc1cnc(cn1)Cl 34a_100015839800_100015614560 [0,0,0,0,0,0|3,0,0]=3 807 B13R1.14 O[C@@H](CF)COc1cnc(nc1)Br 34a_100000730009_100015614560 [0,0,0,0,0,0|3,1,0]=4 808 B13R1.14 O[C@@H](CF)COc1cnc(nc1)Br 7a_100000730009_100015614560 [0,0,0,0,0,0|3,1,0]=4 809 B13R1.14 O[C@@H](CF)COc1cnc(nc1)Cl 34a_100000092845_100015614560 [0,0,0,0,0,0|3,0,0]=3 810 B13R1.14 O[C@@H](CF)COc1cnc(nc1)Cl 7a_100000092845_100015614560 [0,0,0,0,0,0|3,0,0]=3 811 B13R1.14 O[C@@H](CF)COc1cnc(nc1)F 34a_200009874573_100015614560 [0,0,0,0,0,0|3,1,0]=4 812 B13R1.14 O[C@@H](CF)COc1cnc(nc1)F 7a_200009874573_100015614560 [0,0,0,0,0,0|3,1,0]=4 813 B13R1.14 O[C@@H](CF)COc1ncc(cn1)F 34a_100011934040_100015614560 [0,0,0,0,0,0|3,1,0]=4 814 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100000752885_100015614560 [0,0,0,0,0,0|1,2,0]=3 815 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100015614560_100000752885 [0,0,0,0,0,0|1,2,0]=3 816 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100000755918_100015614560 [0,0,0,0,0,0|1,1,0]=2 817 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100015614560_100000755918 [0,0,0,0,0,0|1,1,0]=2 818 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100000211213_100015614560 [0,0,0,0,0,0|1,2,0]=3 819 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100015614560_100000211213 [0,0,0,0,0,0|1,2,0]=3 820 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Br 62a_100000686858_100015614560 [0,0,0,0,0,0|2,2,0]=4 821 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Br 62a_100015614560_100000686858 [0,0,0,0,0,0|2,2,0]=4 822 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100011356976_100015614560 [0,0,0,0,0,0|2,1,0]=3 823 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)Cl 62a_100015614560_100011356976 [0,0,0,0,0,0|2,1,0]=3 824 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)F 62a_100000744514_100015614560 [0,0,0,0,0,0|2,2,0]=4 825 B13R1.14 O[C@@H](CF)CSc1ccc(cn1)F 62a_100015614560_100000744514 [0,0,0,0,0,0|2,2,0]=4 826 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Br 62a_100009814638_100015614560 [0,0,0,0,0,0|2,2,0]=4 827 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Br 62a_100015614560_100009814638 [0,0,0,0,0,0|2,2,0]=4 828 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Cl 62a_100000034144_100015614560 [0,0,0,0,0,0|2,1,0]=3 829 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)Cl 62a_100015614560_100000034144 [0,0,0,0,0,0|2,1,0]=3 830 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)F 62a_100000042367_100015614560 [0,0,0,0,0,0|2,2,0]=4 831 B13R1.14 O[C@@H](CF)CSc1ccc(nc1)F 62a_100015614560_100000042367 [0,0,0,0,0,0|2,2,0]=4 832 B13R1.14 O[C@@H](CF)CSc1ccc(nn1)Cl 62a_100000068654_100015614560 [0,0,0,0,0,0|3,1,0]=4 833 B13R1.14 O[C@@H](CF)CSc1ccc(nn1)Cl 62a_100015614560_100000068654 [0,0,0,0,0,0|3,1,0]=4 834 B13R1.14 O[C@@H](CF)CSc1cnc(cn1)Cl 62a_100010214907_100015614560 [0,0,0,0,0,0|3,1,0]=4 835 B13R1.14 O[C@@H](CF)CSc1cnc(cn1)Cl 62a_100015614560_100010214907 [0,0,0,0,0,0|3,1,0]=4 836 B13R1.14 O[C@@H](CF)CSc1cnc(nc1)Cl 62a_100000059775_100015614560 [0,0,0,0,0,0|3,1,0]=4 837 B13R1.14 O[C@@H](CF)CSc1cnc(nc1)Cl 62a_100015614560_100000059775 [0,0,0,0,0,0|3,1,0]=4 838 B13R1.14 O[C@@H](CF)CSc1ncc(cn1)Cl 62a_100011356929_100015614560 [0,0,0,0,0,0|3,1,0]=4 839 B13R1.14 O[C@@H](CF)CSc1ncc(cn1)Cl 62a_100015614560_100011356929 [0,0,0,0,0,0|3,1,0]=4 840 B13R1.14 Oc1ccc(cc1)NC[C@@H](O)CF 34a_100000185829_100015614560 [0,0,0,0,0,0|3,0,0]=3 841 B13R1.14 Oc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185759 [0,0,0,0,0,0|2,1,0]=3 842 B13R1.14 Oc1ccc(nc1)SC[C@@H](O)CF 62a_100000685995_100015614560 [0,0,0,0,0,0|3,1,0]=4 843 B13R1.14 Oc1ccc(nc1)SC[C@@H](O)CF 62a_100015614560_100000744096 [0,0,0,0,0,0|3,1,0]=4 844 B13R1.14 [O-][n+]1ccc(cc1)SCC(O)CO 62a_100011219619_100000039755 [0,0,0,0,0,0|2,1,0]=3 845 B13R1.14 [O-][n+]1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000039755 [0,0,0,0,0,0|3,1,0]=4 846 B13R1.14 [O-][n+]1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000039755 [0,0,0,0,0,0|2,1,0]=3 847 B12R1.1 C#CCCNc1ccc(cc1)Cl 2230a_100000210052_100000688953 [1,0,0,0,0,0|2,0,1]=4 848 B12R1.1 C#CCCNc1ccc(cc1)Cl 34a_100000210052_100000688953 [1,0,0,0,0,0|2,0,1]=4 849 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [1,0,0,0,0,0|1,1,1]=4 850 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [1,0,0,0,0,0|1,1,1]=4 851 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [1,0,0,0,0,0|2,0,1]=4 852 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [1,0,0,0,0,0|2,0,1]=4 853 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [1,0,0,0,0,0|1,0,1]=3 854 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [1,0,0,0,0,0|1,0,1]=3 855 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [1,0,0,0,0,0|1,1,1]=4 856 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [1,0,0,0,0,0|1,1,1]=4 857 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [1,0,0,0,0,0|1,1,1]=4 858 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [1,0,0,0,0,0|2,0,1]=4 859 B12R1.1 C#CCCOc1ccc(cn1)Cl 34a_100011215309_100000688953 [1,0,0,0,0,0|2,0,1]=4 860 B12R1.1 C#CCCOc1ccc(nc1)Cl 34a_100000744096_100000688953 [1,0,0,0,0,0|2,0,1]=4 861 B12R1.1 C#CCCOc1ccc(nc1)Cl 7a_100000744096_100000688953 [1,0,0,0,0,0|2,0,1]=4 862 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000688953_100000755918 [1,0,0,0,0,0|1,1,1]=4 863 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000755918_100000688953 [1,0,0,0,0,0|1,1,1]=4 864 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [1,0,0,0,0,0|1,0,2]=4 865 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [1,0,0,0,0,0|1,0,2]=4 866 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [1,0,0,0,0,0|2,0,1]=4 867 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [1,0,0,0,0,0|2,0,1]=4 868 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [1,0,0,0,0,0|1,1,1]=4 869 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [1,0,0,0,0,0|1,1,1]=4 870 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [1,0,0,0,0,0|2,0,1]=4 871 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [1,0,0,0,0,0|2,0,1]=4 872 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [1,0,0,0,0,0|1,0,1]=3 873 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [1,0,0,0,0,0|1,0,1]=3 874 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [1,0,0,0,0,0|1,1,1]=4 875 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [1,0,0,0,0,0|1,1,1]=4 876 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [1,0,0,0,0,0|1,1,1]=4 877 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [1,0,0,0,0,0|2,0,1]=4 878 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [1,0,0,0,0,0|2,0,1]=4 879 B12R1.1 C=CCCOc1ccc(cn1)Cl 34a_100011215309_100000754431 [1,0,0,0,0,0|2,0,1]=4 880 B12R1.1 C=CCCOc1ccc(nc1)Cl 34a_100000744096_100000754431 [1,0,0,0,0,0|2,0,1]=4 881 B12R1.1 C=CCCOc1ccc(nc1)Cl 7a_100000744096_100000754431 [1,0,0,0,0,0|2,0,1]=4 882 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [1,0,0,0,0,0|1,1,1]=4 883 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [1,0,0,0,0,0|1,1,1]=4 884 B12R1.1 CC#CCOc1ccc(cc1)Cl 34a_100000210216_100000748600 [1,0,0,0,0,0|1,0,2]=4 885 B12R1.1 CC#CCOc1ccc(cc1)Cl 7a_100000210216_100000748600 [1,0,0,0,0,0|1,0,2]=4 886 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [1,0,0,0,0,0|1,0,2]=4 887 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [1,0,0,0,0,0|1,0,2]=4 888 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [1,0,0,0,0,0|2,0,1]=4 889 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [1,0,0,0,0,0|3,0,0]=4 890 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [1,0,0,0,0,0|2,1,0]=4 891 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [1,0,0,0,0,0|2,1,0]=4 892 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [1,0,0,0,0,0|3,0,0]=4 893 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [1,0,0,0,0,0|2,0,0]=3 894 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [1,0,0,0,0,0|2,0,0]=3 895 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [1,0,0,0,0,0|2,1,0]=4 896 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [1,0,0,0,0,0|2,1,0]=4 897 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [1,0,0,0,0,0|3,0,0]=4 898 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [1,0,0,0,0,0|3,0,0]=4 899 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [1,0,0,0,0,0|1,1,0]=3 900 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [1,0,0,0,0,0|1,1,0]=3 901 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [1,0,0,0,0,0|2,0,0]=3 902 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [1,0,0,0,0,0|2,0,0]=3 903 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [1,0,0,0,0,0|1,0,0]=2 904 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [1,0,0,0,0,0|1,0,0]=2 905 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [1,0,0,0,0,0|1,1,0]=3 906 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [1,0,0,0,0,0|1,1,0]=3 907 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [1,0,0,0,0,0|1,1,0]=3 908 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [1,0,0,0,0,0|2,0,0]=3 909 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [1,0,0,0,0,0|2,0,0]=3 910 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [1,0,0,0,0,0|3,0,0]=4 911 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [1,0,0,0,0,0|2,0,0]=3 912 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [1,0,0,0,0,0|2,1,0]=4 913 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [1,0,0,0,0,0|3,0,0]=4 914 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [1,0,0,0,0,0|2,1,0]=4 915 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [1,0,0,0,0,0|2,1,0]=4 916 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [1,0,0,0,0,0|3,0,0]=4 917 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [1,0,0,0,0,0|3,0,0]=4 918 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [1,0,0,0,0,0|2,0,0]=3 919 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [1,0,0,0,0,0|2,0,0]=3 920 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [1,0,0,0,0,0|2,1,0]=4 921 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [1,0,0,0,0,0|2,1,0]=4 922 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [1,0,0,0,0,0|2,1,0]=4 923 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [1,0,0,0,0,0|2,1,0]=4 924 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [1,0,0,0,0,0|3,0,0]=4 925 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [1,0,0,0,0,0|3,0,0]=4 926 B12R1.1 CCCCOc1cnc(cn1)Cl 34a_100015839800_100000210210 [1,0,0,0,0,0|3,0,0]=4 927 B12R1.1 CCCCOc1cnc(nc1)Cl 34a_100000092845_100000210210 [1,0,0,0,0,0|3,0,0]=4 928 B12R1.1 CCCCOc1cnc(nc1)Cl 7a_100000092845_100000210211 [1,0,0,0,0,0|3,0,0]=4 929 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [1,0,0,0,0,0|1,2,0]=4 930 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [1,0,0,0,0,0|1,2,0]=4 931 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [1,0,0,0,0,0|2,1,0]=4 932 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [1,0,0,0,0,0|2,1,0]=4 933 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [1,0,0,0,0,0|1,1,0]=3 934 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [1,0,0,0,0,0|1,1,0]=3 935 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [1,0,0,0,0,0|1,2,0]=4 936 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [1,0,0,0,0,0|1,2,0]=4 937 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [1,0,0,0,0,0|2,1,0]=4 938 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [1,0,0,0,0,0|2,1,0]=4 939 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [1,0,0,0,0,0|2,1,0]=4 940 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [1,0,0,0,0,0|2,1,0]=4 941 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [1,0,0,0,0,0|2,1,0]=4 942 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [1,0,0,0,0,0|2,1,0]=4 943 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [1,0,0,0,0,0|2,1,0]=4 944 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [1,0,0,0,0,0|3,0,0]=4 945 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [1,0,0,0,0,0|3,0,0]=4 946 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [1,0,0,0,0,0|3,0,0]=4 947 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [1,0,0,0,0,0|3,0,0]=4 948 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [1,0,0,0,0,0|3,0,0]=4 949 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [1,0,0,0,0,0|3,0,0]=4 950 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [1,0,0,0,0,0|3,0,0]=4 951 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [1,0,0,0,0,0|3,0,0]=4 952 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [1,0,0,0,0,0|3,0,0]=4 953 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [1,0,0,0,0,0|3,0,0]=4 954 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [1,0,0,0,0,0|3,0,0]=4 955 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [1,0,0,0,0,0|3,0,0]=4 956 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [1,0,0,0,0,0|3,0,0]=4 957 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [1,0,0,0,0,0|3,0,0]=4 958 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [1,0,0,0,0,0|3,0,0]=4 959 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000739092_100000755918 [1,0,0,0,0,0|2,1,0]=4 960 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000755918_100000739092 [1,0,0,0,0,0|2,1,0]=4 961 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [1,0,0,0,0,0|3,0,0]=4 962 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [1,0,0,0,0,0|3,0,0]=4 963 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [1,0,0,0,0,0|3,0,0]=4 964 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [1,0,0,0,0,0|3,0,0]=4 965 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [1,0,0,0,0,0|3,0,0]=4 966 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [1,0,0,0,0,0|3,0,0]=4 967 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [1,0,0,0,0,0|3,0,0]=4 968 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [1,0,0,0,0,0|2,1,0]=4 969 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [1,0,0,0,0,0|2,1,0]=4 970 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [1,0,0,0,0,0|2,1,0]=4 971 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [1,0,0,0,0,0|2,1,0]=4 972 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [1,0,0,0,0,0|2,1,0]=4 973 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [1,0,0,0,0,0|3,0,0]=4 974 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [1,0,0,0,0,0|3,0,0]=4 975 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [1,0,0,0,0,0|3,0,0]=4 976 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [1,0,0,0,0,0|3,0,0]=4 977 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [1,0,0,0,0,0|3,0,0]=4 978 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [1,0,0,0,0,0|2,0,0]=3 979 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [1,0,0,0,0,0|2,0,0]=3 980 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [1,0,0,0,0,0|2,0,0]=3 981 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [1,0,0,0,0,0|2,0,0]=3 982 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [1,0,0,0,0,0|2,0,0]=3 983 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [1,0,0,0,0,0|2,1,0]=4 984 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [1,0,0,0,0,0|2,1,0]=4 985 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [1,0,0,0,0,0|2,1,0]=4 986 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [1,0,0,0,0,0|2,1,0]=4 987 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [1,0,0,0,0,0|2,1,0]=4 988 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [1,0,0,0,0,0|2,1,0]=4 989 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [1,0,0,0,0,0|3,0,0]=4 990 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [1,0,0,0,0,0|3,0,0]=4 991 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [1,0,0,0,0,0|3,0,0]=4 992 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [1,0,0,0,0,0|3,0,0]=4 993 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [1,0,0,0,0,0|3,0,0]=4 994 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [1,0,0,0,0,0|2,1,0]=4 995 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [1,0,0,0,0,0|2,1,0]=4 996 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [1,0,0,0,0,0|2,1,0]=4 997 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [1,0,0,0,0,0|2,1,0]=4 998 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [1,0,0,0,0,0|2,1,0]=4 999 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [1,0,0,0,0,0|3,0,0]=4 1000 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [1,0,0,0,0,0|3,0,0]=4 1001 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [1,0,0,0,0,0|3,0,0]=4 1002 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [1,0,0,0,0,0|3,0,0]=4 1003 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [1,0,0,0,0,0|3,0,0]=4 1004 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [1,0,0,0,0,0|2,0,0]=3 1005 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [1,0,0,0,0,0|2,0,0]=3 1006 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [1,0,0,0,0,0|2,0,0]=3 1007 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [1,0,0,0,0,0|2,0,0]=3 1008 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [1,0,0,0,0,0|2,0,0]=3 1009 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [1,0,0,0,0,0|2,1,0]=4 1010 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [1,0,0,0,0,0|2,1,0]=4 1011 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [1,0,0,0,0,0|2,1,0]=4 1012 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [1,0,0,0,0,0|2,1,0]=4 1013 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [1,0,0,0,0,0|3,0,0]=4 1014 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [1,0,0,0,0,0|3,0,0]=4 1015 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [1,0,0,0,0,0|3,0,0]=4 1016 B12R1.1 COCCOc1ccc(cn1)Cl 34a_100011215309_100011201679 [1,0,0,0,0,0|3,0,0]=4 1017 B12R1.1 COCCOc1ccc(nc1)Cl 34a_100000744096_100011201679 [1,0,0,0,0,0|3,0,0]=4 1018 B12R1.1 COCCOc1ccc(nc1)Cl 7a_100000744096_100000233755 [1,0,0,0,0,0|3,0,0]=4 1019 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [1,0,0,0,0,0|2,1,0]=4 1020 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [1,0,0,0,0,0|2,1,0]=4 1021 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [1,0,0,0,0,0|2,1,0]=4 1022 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [1,0,0,0,0,0|2,1,0]=4 1023 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [1,0,0,0,0,0|3,0,0]=4 1024 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [1,0,0,0,0,0|3,0,0]=4 1025 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [1,0,0,0,0,0|3,0,0]=4 1026 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [1,0,0,0,0,0|3,0,0]=4 1027 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [1,0,0,0,0,0|2,1,0]=4 1028 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [1,0,0,0,0,0|2,1,0]=4 1029 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [1,0,0,0,0,0|2,1,0]=4 1030 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [1,0,0,0,0,0|2,1,0]=4 1031 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [1,0,0,0,0,0|3,0,0]=4 1032 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [1,0,0,0,0,0|3,0,0]=4 1033 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [1,0,0,0,0,0|3,0,0]=4 1034 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [1,0,0,0,0,0|3,0,0]=4 1035 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [1,0,0,0,0,0|2,0,0]=3 1036 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [1,0,0,0,0,0|2,0,0]=3 1037 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [1,0,0,0,0,0|2,0,0]=3 1038 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [1,0,0,0,0,0|2,0,0]=3 1039 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [1,0,0,0,0,0|2,1,0]=4 1040 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [1,0,0,0,0,0|2,1,0]=4 1041 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [1,0,0,0,0,0|2,1,0]=4 1042 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [1,0,0,0,0,0|2,1,0]=4 1043 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [1,0,0,0,0,0|2,1,0]=4 1044 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [1,0,0,0,0,0|3,0,0]=4 1045 B12R1.1 CSCCOc1ccc(cn1)Cl 34a_100011215309_100000212216 [1,0,0,0,0,0|3,0,0]=4 1046 B12R1.1 CSCCOc1ccc(nc1)Cl 34a_100000744096_100000212216 [1,0,0,0,0,0|3,0,0]=4 1047 B12R1.1 CSCCOc1ccc(nc1)Cl 7a_100000744096_100000212216 [1,0,0,0,0,0|3,0,0]=4 1048 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [1,0,0,0,0,0|2,1,0]=4 1049 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [1,0,0,0,0,0|2,1,0]=4 1050 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [1,0,0,0,0,0|3,0,0]=4 1051 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [1,0,0,0,0,0|3,0,0]=4 1052 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [1,0,0,0,0,0|3,0,0]=4 1053 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [1,0,0,0,0,0|3,0,0]=4 1054 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [1,0,0,0,0,0|3,0,0]=4 1055 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [1,0,0,0,0,0|3,0,0]=4 1056 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [1,0,0,0,0,0|3,0,0]=4 1057 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [1,0,0,0,0,0|3,0,0]=4 1058 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [1,0,0,0,0,0|3,0,0]=4 1059 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [1,0,0,0,0,0|3,0,0]=4 1060 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [1,0,0,0,0,0|3,0,0]=4 1061 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [1,0,0,0,0,0|2,0,0]=3 1062 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [1,0,0,0,0,0|2,0,1]=4 1063 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [1,0,0,0,0,0|2,0,0]=3 1064 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [1,0,0,0,0,0|2,0,0]=3 1065 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [1,0,0,0,0,0|1,0,0]=2 1066 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [1,0,0,0,0,0|1,0,0]=2 1067 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [1,0,0,0,0,0|3,0,0]=4 1068 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [1,0,0,0,0,0|3,0,0]=4 1069 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [1,0,0,0,0,0|3,0,0]=4 1070 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [1,0,0,0,0,0|3,0,0]=4 1071 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [1,0,0,0,0,0|3,0,0]=4 1072 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [1,0,0,0,0,0|3,0,0]=4 1073 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [1,0,0,0,0,0|2,1,0]=4 1074 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [1,0,0,0,0,0|2,1,0]=4 1075 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [1,0,0,0,0,0|1,1,0]=3 1076 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [1,0,0,0,0,0|1,1,0]=3 1077 B12R1.1 Cc1ccc(cn1)OCCCF 34a_100000745506_100011934791 [1,0,0,0,0,0|3,0,0]=4 1078 B12R1.1 Cc1ccc(cn1)OCCCF 7a_100000745506_100011934791 [1,0,0,0,0,0|3,0,0]=4 1079 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [1,0,0,0,0,0|2,0,0]=3 1080 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [1,0,0,0,0,0|2,0,0]=3 1081 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100000751577_100011215043 [1,0,0,0,0,0|2,1,0]=4 1082 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100011215043_100000751577 [1,0,0,0,0,0|2,1,0]=4 1083 B12R1.1 Cc1ccc(nc1)OCCCF 34a_100000759353_100011934791 [1,0,0,0,0,0|3,0,0]=4 1084 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [1,0,0,0,0,0|2,0,0]=3 1085 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [1,0,0,0,0,0|2,1,0]=4 1086 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [1,0,0,0,0,0|2,1,0]=4 1087 B12R1.1 Cc1ncc(cn1)OCCCO 34a_100000062939_100000230001 [1,0,0,0,0,0|3,0,0]=4 1088 B12R1.1 Cc1ncc(cn1)OCCCO 7a_100000062939_100011215043 [1,0,0,0,0,0|3,0,0]=4 1089 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [1,0,0,0,0,0|3,0,0]=4 1090 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [1,0,0,0,0,0|2,1,0]=4 1091 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [1,0,0,0,0,0|2,1,0]=4 1092 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [1,0,0,0,0,0|2,0,0]=3 1093 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [1,0,0,0,0,0|2,0,0]=3 1094 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [1,0,0,0,0,0|2,1,0]=4 1095 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [1,0,0,0,0,0|2,1,0]=4 1096 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [1,0,0,0,0,0|1,1,0]=3 1097 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [1,0,0,0,0,0|1,1,0]=3 1098 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [1,0,0,0,0,0|1,0,0]=2 1099 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [1,0,0,0,0,0|1,0,0]=2 1100 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [1,0,0,0,0,0|1,1,0]=3 1101 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [1,0,0,0,0,0|1,1,0]=3 1102 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [1,0,0,0,0,0|1,1,0]=3 1103 B12R1.1 FCCCOc1ccc(cn1)Cl 34a_100011215309_100011934791 [1,0,0,0,0,0|2,0,0]=3 1104 B12R1.1 FCCCOc1ccc(cn1)F 34a_100000742473_100011934791 [1,0,0,0,0,0|2,1,0]=4 1105 B12R1.1 FCCCOc1ccc(nc1)Br 34a_100000685995_100011934791 [1,0,0,0,0,0|2,1,0]=4 1106 B12R1.1 FCCCOc1ccc(nc1)Br 7a_100000685995_100011934791 [1,0,0,0,0,0|2,1,0]=4 1107 B12R1.1 FCCCOc1ccc(nc1)Cl 34a_100000744096_100011934791 [1,0,0,0,0,0|2,0,0]=3 1108 B12R1.1 FCCCOc1ccc(nc1)Cl 7a_100000744096_100011934791 [1,0,0,0,0,0|2,0,0]=3 1109 B12R1.1 FCCCOc1ccc(nc1)F 34a_100000688820_100011934791 [1,0,0,0,0,0|2,1,0]=4 1110 B12R1.1 FCCCOc1ccc(nc1)F 7a_100000688820_100011934791 [1,0,0,0,0,0|2,1,0]=4 1111 B12R1.1 FCCCOc1ccc(nc1)I 34a_100000687607_100011934791 [1,0,0,0,0,0|2,1,0]=4 1112 B12R1.1 FCCCOc1ccc(nc1)I 7a_100000687607_100011934791 [1,0,0,0,0,0|2,1,0]=4 1113 B12R1.1 FCCCOc1cnc(cn1)Cl 34a_100015839800_100011934791 [1,0,0,0,0,0|3,0,0]=4 1114 B12R1.1 FCCCOc1cnc(nc1)Cl 34a_100000092845_100011934791 [1,0,0,0,0,0|3,0,0]=4 1115 B12R1.1 FCCCOc1cnc(nc1)Cl 7a_100000092845_100011934791 [1,0,0,0,0,0|3,0,0]=4 1116 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [1,0,0,0,0,0|1,2,0]=4 1117 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [1,0,0,0,0,0|1,2,0]=4 1118 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [1,0,0,0,0,0|1,1,0]=3 1119 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [1,0,0,0,0,0|1,1,0]=3 1120 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [1,0,0,0,0,0|1,2,0]=4 1121 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [1,0,0,0,0,0|1,2,0]=4 1122 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011356976_100011934791 [1,0,0,0,0,0|2,1,0]=4 1123 B12R1.1 FCCCSc1ccc(cn1)Cl 62a_100011934791_100011356976 [1,0,0,0,0,0|2,1,0]=4 1124 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100000034144_100011934791 [1,0,0,0,0,0|2,1,0]=4 1125 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100011934791_100000034144 [1,0,0,0,0,0|2,1,0]=4 1126 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [1,0,0,0,0,0|3,0,0]=4 1127 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [1,0,0,0,0,0|3,0,0]=4 1128 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [1,0,0,0,0,0|3,0,0]=4 1129 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [1,0,0,0,0,0|3,0,0]=4 1130 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [1,0,0,0,0,0|3,0,0]=4 1131 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [1,0,0,0,0,0|3,0,0]=4 1132 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [1,0,0,0,0,0|3,0,0]=4 1133 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [1,0,0,0,0,0|3,0,0]=4 1134 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [1,0,0,0,0,0|3,0,0]=4 1135 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [1,0,0,0,0,0|3,0,0]=4 1136 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [1,0,0,0,0,0|3,0,0]=4 1137 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [1,0,0,0,0,0|3,0,0]=4 1138 B12R1.1 N#CCCNc1ccc(cc1)Cl 2230a_100000210052_100011215226 [1,0,0,0,0,0|2,0,1]=4 1139 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [1,0,0,0,0,0|1,1,1]=4 1140 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [1,0,0,0,0,0|1,0,1]=3 1141 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [1,0,0,0,0,0|1,1,1]=4 1142 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [1,0,0,0,0,0|2,0,1]=4 1143 B12R1.1 N#CCCOc1ccc(nc1)Cl 7a_100000744096_100000184422 [1,0,0,0,0,0|2,0,1]=4 1144 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100000755918_100011215226 [1,0,0,0,0,0|1,1,1]=4 1145 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100011215226_100000755918 [1,0,0,0,0,0|1,1,1]=4 1146 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [1,0,0,0,0,0|3,0,0]=4 1147 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [1,0,0,0,0,0|3,0,0]=4 1148 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [1,0,0,0,0,0|2,0,0]=3 1149 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [1,0,0,0,0,0|1,0,0]=2 1150 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [1,0,0,0,0,0|2,1,0]=4 1151 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [1,0,0,0,0,0|2,1,0]=4 1152 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [1,0,0,0,0,0|1,1,0]=3 1153 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [1,0,0,0,0,0|1,1,0]=3 1154 B12R1.1 Nc1ccc(cn1)OCCCF 34a_100015188713_100011934791 [1,0,0,0,0,0|3,0,0]=4 1155 B12R1.1 Nc1ccc(cn1)OCCCF 7a_100015188713_100011934791 [1,0,0,0,0,0|3,0,0]=4 1156 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [1,0,0,0,0,0|2,0,0]=3 1157 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [1,0,0,0,0,0|2,0,0]=3 1158 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100000187370_100011215043 [1,0,0,0,0,0|2,1,0]=4 1159 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100011215043_100000187370 [1,0,0,0,0,0|2,1,0]=4 1160 B12R1.1 Nc1ccc(nc1)OCCCF 34a_100000729260_100011934791 [1,0,0,0,0,0|3,0,0]=4 1161 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [1,0,0,0,0,0|2,0,0]=3 1162 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [1,0,0,0,0,0|2,1,0]=4 1163 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [1,0,0,0,0,0|2,1,0]=4 1164 B12R1.1 Nc1ncc(cn1)OCCCO 34a_100000087137_100000230001 [1,0,0,0,0,0|3,0,0]=4 1165 B12R1.1 Nc1ncc(cn1)OCCCO 7a_100000087137_100011215043 [1,0,0,0,0,0|3,0,0]=4 1166 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [1,0,0,0,0,0|3,0,0]=4 1167 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [1,0,0,0,0,0|2,0,0]=3 1168 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [1,0,0,0,0,0|2,1,0]=4 1169 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [1,0,0,0,0,0|2,1,0]=4 1170 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [1,0,0,0,0,0|1,1,0]=3 1171 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [1,0,0,0,0,0|1,1,0]=3 1172 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [1,0,0,0,0,0|1,0,0]=2 1173 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [1,0,0,0,0,0|1,0,0]=2 1174 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [1,0,0,0,0,0|1,1,0]=3 1175 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [1,0,0,0,0,0|1,1,0]=3 1176 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [1,0,0,0,0,0|2,0,0]=3 1177 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [1,0,0,0,0,0|2,1,0]=4 1178 B12R1.1 OCCCNc1ncc(cn1)Cl 27a_100000182051_100011356929 [1,0,0,0,0,0|3,0,0]=4 1179 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [1,0,0,0,0,0|0,1,0]=2 1180 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [1,0,0,0,0,0|0,1,0]=2 1181 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [1,0,0,0,0,0|0,0,0]=1 1182 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [1,0,0,0,0,0|0,0,0]=1 1183 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [1,0,0,0,0,0|0,1,0]=2 1184 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [1,0,0,0,0,0|0,1,0]=2 1185 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [1,0,0,0,0,0|0,1,0]=2 1186 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [1,0,0,0,0,0|1,0,0]=2 1187 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [1,0,0,0,0,0|1,0,0]=2 1188 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [1,0,0,0,0,0|1,1,0]=3 1189 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [1,0,0,0,0,0|1,1,0]=3 1190 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [1,0,0,0,0,0|1,1,0]=3 1191 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [1,0,0,0,0,0|1,0,0]=2 1192 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [1,0,0,0,0,0|1,0,0]=2 1193 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [1,0,0,0,0,0|1,1,0]=3 1194 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [1,0,0,0,0,0|1,1,0]=3 1195 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [1,0,0,0,0,0|1,1,0]=3 1196 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [1,0,0,0,0,0|1,1,0]=3 1197 B12R1.1 OCCCOc1cnc(cn1)Br 34a_100011934580_100000230001 [1,0,0,0,0,0|2,1,0]=4 1198 B12R1.1 OCCCOc1cnc(cn1)Cl 34a_100015839800_100000230001 [1,0,0,0,0,0|2,0,0]=3 1199 B12R1.1 OCCCOc1cnc(nc1)Br 34a_100000730009_100000230001 [1,0,0,0,0,0|2,1,0]=4 1200 B12R1.1 OCCCOc1cnc(nc1)Br 7a_100000730009_100011215043 [1,0,0,0,0,0|2,1,0]=4 1201 B12R1.1 OCCCOc1cnc(nc1)Cl 34a_100000092845_100000230001 [1,0,0,0,0,0|2,0,0]=3 1202 B12R1.1 OCCCOc1cnc(nc1)Cl 7a_100000092845_100011215043 [1,0,0,0,0,0|2,0,0]=3 1203 B12R1.1 OCCCOc1cnc(nc1)F 34a_200009874573_100000230001 [1,0,0,0,0,0|2,1,0]=4 1204 B12R1.1 OCCCOc1cnc(nc1)F 7a_200009874573_100011215043 [1,0,0,0,0,0|2,1,0]=4 1205 B12R1.1 OCCCOc1ncc(cn1)F 34a_100011934040_100000230001 [1,0,0,0,0,0|2,1,0]=4 1206 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [1,0,0,0,0,0|0,2,0]=3 1207 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [1,0,0,0,0,0|0,2,0]=3 1208 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [1,0,0,0,0,0|0,1,0]=2 1209 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [1,0,0,0,0,0|0,1,0]=2 1210 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [1,0,0,0,0,0|0,2,0]=3 1211 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [1,0,0,0,0,0|0,2,0]=3 1212 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [1,0,0,0,0,0|1,1,0]=3 1213 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [1,0,0,0,0,0|1,2,0]=4 1214 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [1,0,0,0,0,0|1,2,0]=4 1215 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [1,0,0,0,0,0|1,1,0]=3 1216 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [1,0,0,0,0,0|1,1,0]=3 1217 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [1,0,0,0,0,0|1,2,0]=4 1218 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [1,0,0,0,0,0|1,2,0]=4 1219 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [1,0,0,0,0,0|2,1,0]=4 1220 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [1,0,0,0,0,0|2,1,0]=4 1221 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100009814638_100011215043 [1,0,0,0,0,0|1,2,0]=4 1222 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100011215043_100009814638 [1,0,0,0,0,0|1,2,0]=4 1223 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100000034144_100011215043 [1,0,0,0,0,0|1,1,0]=3 1224 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100011215043_100000034144 [1,0,0,0,0,0|1,1,0]=3 1225 B12R1.1 OCCCSc1ccc(nc1)F 62a_100000042367_100011215043 [1,0,0,0,0,0|1,2,0]=4 1226 B12R1.1 OCCCSc1ccc(nc1)F 62a_100011215043_100000042367 [1,0,0,0,0,0|1,2,0]=4 1227 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100000068654_100011215043 [1,0,0,0,0,0|2,1,0]=4 1228 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100011215043_100000068654 [1,0,0,0,0,0|2,1,0]=4 1229 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100010214907_100011215043 [1,0,0,0,0,0|2,1,0]=4 1230 B12R1.1 OCCCSc1cnc(cn1)Cl 62a_100011215043_100010214907 [1,0,0,0,0,0|2,1,0]=4 1231 B12R1.1 OCCCSc1cnc(nc1)Cl 62a_100000059775_100011215043 [1,0,0,0,0,0|2,1,0]=4 1232 B12R1.1 OCCCSc1cnc(nc1)Cl 62a_100011215043_100000059775 [1,0,0,0,0,0|2,1,0]=4 1233 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011215043_100011356929 [1,0,0,0,0,0|2,1,0]=4 1234 B12R1.1 OCCCSc1ncc(cn1)Cl 62a_100011356929_100011215043 [1,0,0,0,0,0|2,1,0]=4 1235 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [1,0,0,0,0,0|2,1,0]=4 1236 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [1,0,0,0,0,0|2,1,0]=4 1237 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [1,0,0,0,0,0|2,1,0]=4 1238 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [1,0,0,0,0,0|2,1,0]=4 1239 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [1,0,0,0,0,0|2,1,0]=4 1240 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [1,0,0,0,0,0|2,1,0]=4 1241 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [1,0,0,0,0,0|2,0,0]=3 1242 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [1,0,0,0,0,0|2,0,0]=3 1243 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [1,0,0,0,0,0|2,0,0]=3 1244 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [1,0,0,0,0,0|2,0,0]=3 1245 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [1,0,0,0,0,0|2,0,0]=3 1246 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [1,0,0,0,0,0|2,0,0]=3 1247 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [1,0,0,0,0,0|2,1,0]=4 1248 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [1,0,0,0,0,0|2,1,0]=4 1249 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [1,0,0,0,0,0|2,1,0]=4 1250 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [1,0,0,0,0,0|2,1,0]=4 1251 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [1,0,0,0,0,0|2,1,0]=4 1252 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [1,0,0,0,0,0|2,1,0]=4 1253 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [1,0,0,0,0,0|2,1,0]=4 1254 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [1,0,0,0,0,0|2,1,0]=4 1255 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [1,0,0,0,0,0|2,1,0]=4 1256 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [1,0,0,0,0,0|2,1,0]=4 1257 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [1,0,0,0,0,0|2,1,0]=4 1258 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [1,0,0,0,0,0|3,0,0]=4 1259 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [1,0,0,0,0,0|3,0,0]=4 1260 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [1,0,0,0,0,0|3,0,0]=4 1261 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [1,0,0,0,0,0|3,0,0]=4 1262 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [1,0,0,0,0,0|3,0,0]=4 1263 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [1,0,0,0,0,0|3,0,0]=4 1264 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [1,0,0,0,0,0|3,0,0]=4 1265 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100000735879_100000211926 [1,0,0,0,0,0|3,0,0]=4 1266 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100016997473_100000735431 [1,0,0,0,0,0|3,0,0]=4 1267 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100000735879_100000211926 [1,0,0,0,0,0|3,0,0]=4 1268 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100016990907_100000735431 [1,0,0,0,0,0|3,0,0]=4 1269 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [1,0,0,0,0,0|2,1,0]=4 1270 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [1,0,0,0,0,0|2,0,0]=3 1271 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [1,0,0,0,0,0|2,0,0]=3 1272 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [1,0,0,0,0,0|2,1,0]=4 1273 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [1,0,0,0,0,0|2,1,0]=4 1274 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [1,0,0,0,0,0|2,1,0]=4 1275 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [1,0,0,0,0,0|2,1,0]=4 1276 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [1,0,0,0,0,0|3,0,0]=4 1277 B12R1.1 OCCOCc1ccc(nc1)Cl 34a_100000755211_100000211926 [1,0,0,0,0,0|3,0,0]=4 1278 B12R1.1 OCCOCc1ccc(nc1)Cl 7a_100000755211_100000211926 [1,0,0,0,0,0|3,0,0]=4 1279 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [1,0,0,0,0,0|2,1,0]=4 1280 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [1,0,0,0,0,0|2,1,0]=4 1281 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [1,0,0,0,0,0|2,0,0]=3 1282 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [1,0,0,0,0,0|2,0,0]=3 1283 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [1,0,0,0,0,0|2,1,0]=4 1284 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [1,0,0,0,0,0|2,1,0]=4 1285 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [1,0,0,0,0,0|2,1,0]=4 1286 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [1,0,0,0,0,0|2,1,0]=4 1287 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [1,0,0,0,0,0|3,0,0]=4 1288 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [1,0,0,0,0,0|3,0,0]=4 1289 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000211926_100000735431 [1,0,0,0,0,0|3,0,0]=4 1290 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000735431_100000211926 [1,0,0,0,0,0|3,0,0]=4 1291 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [1,0,0,0,0,0|3,0,0]=4 1292 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [1,0,0,0,0,0|2,1,0]=4 1293 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [1,0,0,0,0,0|3,0,0]=4 1294 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [1,0,0,0,0,0|3,0,0]=4 1295 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [1,0,0,0,0,0|2,1,0]=4 1296 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [1,0,0,0,0,0|2,1,0]=4 1297 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [1,0,0,0,0,0|2,0,0]=3 1298 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [1,0,0,0,0,0|2,0,0]=3 1299 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [1,0,0,0,0,0|2,1,0]=4 1300 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [1,0,0,0,0,0|2,1,0]=4 1301 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [1,0,0,0,0,0|2,1,0]=4 1302 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [1,0,0,0,0,0|3,0,0]=4 1303 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [1,0,0,0,0,0|3,0,0]=4 1304 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [1,0,0,0,0,0|2,1,0]=4 1305 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [1,0,0,0,0,0|2,1,0]=4 1306 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [1,0,0,0,0,0|2,0,0]=3 1307 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [1,0,0,0,0,0|2,0,0]=3 1308 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [1,0,0,0,0,0|3,0,0]=4 1309 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [1,0,0,0,0,0|2,1,0]=4 1310 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [1,0,0,0,0,0|2,1,0]=4 1311 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [1,0,0,0,0,0|3,0,0]=4 1312 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [1,0,0,0,0,0|3,0,0]=4 1313 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [1,0,0,0,0,0|2,1,0]=4 1314 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [1,0,0,0,0,0|2,1,0]=4 1315 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [1,0,0,0,0,0|2,0,0]=3 1316 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [1,0,0,0,0,0|2,0,0]=3 1317 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [1,0,0,0,0,0|2,1,0]=4 1318 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [1,0,0,0,0,0|2,1,0]=4 1319 B12R1.1 [O-][n+]1ccc(cc1)SCCCO 62a_100011215043_100000039755 [1,0,0,0,0,0|2,1,0]=4 1320 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [1,0,0,0,0,0|2,0,1]=4 1321 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [1,0,0,0,0,0|2,0,1]=4 1322 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [1,0,0,0,0,0|1,1,1]=4 1323 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [1,0,0,0,0,0|1,1,1]=4 1324 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [1,0,0,0,0,0|2,0,1]=4 1325 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [1,0,0,0,0,0|2,0,1]=4 1326 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [1,0,0,0,0,0|1,0,1]=3 1327 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [1,0,0,0,0,0|1,0,1]=3 1328 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [1,0,0,0,0,0|1,1,1]=4 1329 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [1,0,0,0,0,0|1,1,1]=4 1330 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [1,0,0,0,0,0|1,1,1]=4 1331 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [1,0,0,0,0,0|2,0,1]=4 1332 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [1,0,0,0,0,0|2,0,1]=4 1333 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [1,0,0,0,0,0|2,0,1]=4 1334 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [1,0,0,0,0,0|2,0,1]=4 1335 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [1,0,0,0,0,0|1,1,1]=4 1336 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [1,0,0,0,0,0|1,1,1]=4 1337 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [1,0,0,0,0,0|1,0,2]=4 1338 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [1,0,0,0,0,0|1,0,2]=4 1339 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,0,0,0,0,0|1,0,2]=4 1340 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,0,0,0,0,0|1,0,2]=4 1341 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,0,0,0,0,0|0,1,2]=4 1342 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,0,0,0,0,0|1,0,2]=4 1343 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,0,0,0,0,0|0,0,2]=3 1344 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,0,0,0,0,0|0,1,2]=4 1345 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,0,0,0,0,0|0,1,2]=4 1346 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,0,0,0,0,0|1,0,2]=4 1347 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,0,0,0,0,0|0,1,2]=4 1348 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [1,0,0,0,0,0|2,0,1]=4 1349 B12R1.21 CC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000210760 [1,0,0,0,0,0|2,1,0]=4 1350 B12R1.21 CC(C)CNc1ccc(cc1)Br 34a_100000210018_100000210624 [1,0,0,0,0,0|2,1,0]=4 1351 B12R1.21 CC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000210760 [1,0,0,0,0,0|2,0,0]=3 1352 B12R1.21 CC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000210624 [1,0,0,0,0,0|2,0,0]=3 1353 B12R1.21 CC(C)CNc1ccc(cc1)F 34a_100000185862_100000210624 [1,0,0,0,0,0|2,1,0]=4 1354 B12R1.21 CC(C)CNc1ccc(cc1)I 34a_100000185761_100000210624 [1,0,0,0,0,0|2,1,0]=4 1355 B12R1.21 CC(C)CNc1ccc(cc1)O 271570a_203496583355_200011231703 [1,0,0,0,0,0|3,0,0]=4 1356 B12R1.21 CC(C)CNc1ccc(cc1)O 34a_100000185829_100000210624 [1,0,0,0,0,0|3,0,0]=4 1357 B12R1.21 CC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000210624 [1,0,0,0,0,0|3,0,0]=4 1358 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [1,0,0,0,0,0|1,1,0]=3 1359 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [1,0,0,0,0,0|1,1,0]=3 1360 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [1,0,0,0,0,0|1,0,0]=2 1361 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [1,0,0,0,0,0|1,0,0]=2 1362 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [1,0,0,0,0,0|1,1,0]=3 1363 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [1,0,0,0,0,0|1,1,0]=3 1364 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [1,0,0,0,0,0|1,1,0]=3 1365 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [1,0,0,0,0,0|2,0,0]=3 1366 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [1,0,0,0,0,0|2,0,0]=3 1367 B12R1.21 CC(C)COc1ccc(cn1)Cl 34a_100011215309_100000210624 [1,0,0,0,0,0|2,0,0]=3 1368 B12R1.21 CC(C)COc1ccc(cn1)F 34a_100000742473_100000210624 [1,0,0,0,0,0|2,1,0]=4 1369 B12R1.21 CC(C)COc1ccc(cn1)N 34a_100000729260_100000210624 [1,0,0,0,0,0|3,0,0]=4 1370 B12R1.21 CC(C)COc1ccc(nc1)Br 34a_100000685995_100000210624 [1,0,0,0,0,0|2,1,0]=4 1371 B12R1.21 CC(C)COc1ccc(nc1)Br 7a_100000685995_100000210760 [1,0,0,0,0,0|2,1,0]=4 1372 B12R1.21 CC(C)COc1ccc(nc1)Cl 34a_100000744096_100000210624 [1,0,0,0,0,0|2,0,0]=3 1373 B12R1.21 CC(C)COc1ccc(nc1)Cl 7a_100000744096_100000210760 [1,0,0,0,0,0|2,0,0]=3 1374 B12R1.21 CC(C)COc1ccc(nc1)F 34a_100000688820_100000210624 [1,0,0,0,0,0|2,1,0]=4 1375 B12R1.21 CC(C)COc1ccc(nc1)F 7a_100000688820_100000210760 [1,0,0,0,0,0|2,1,0]=4 1376 B12R1.21 CC(C)COc1ccc(nc1)I 34a_100000687607_100000210624 [1,0,0,0,0,0|2,1,0]=4 1377 B12R1.21 CC(C)COc1ccc(nc1)I 7a_100000687607_100000210760 [1,0,0,0,0,0|2,1,0]=4 1378 B12R1.21 CC(C)COc1ccc(nc1)N 34a_100015188713_100000210624 [1,0,0,0,0,0|3,0,0]=4 1379 B12R1.21 CC(C)COc1ccc(nc1)N 7a_100015188713_100000210760 [1,0,0,0,0,0|3,0,0]=4 1380 B12R1.21 CC(C)COc1cnc(cn1)Cl 34a_100015839800_100000210624 [1,0,0,0,0,0|3,0,0]=4 1381 B12R1.21 CC(C)COc1cnc(nc1)Cl 34a_100000092845_100000210624 [1,0,0,0,0,0|3,0,0]=4 1382 B12R1.21 CC(C)COc1cnc(nc1)Cl 7a_100000092845_100000210760 [1,0,0,0,0,0|3,0,0]=4 1383 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000210624_100000752885 [1,0,0,0,0,0|1,2,0]=4 1384 B12R1.21 CC(C)CSc1ccc(cc1)Br 62a_100000752885_100000210760 [1,0,0,0,0,0|1,2,0]=4 1385 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000210624_100000755918 [1,0,0,0,0,0|1,1,0]=3 1386 B12R1.21 CC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000210760 [1,0,0,0,0,0|1,1,0]=3 1387 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000210624_100000211213 [1,0,0,0,0,0|1,2,0]=4 1388 B12R1.21 CC(C)CSc1ccc(cc1)F 62a_100000211213_100000210760 [1,0,0,0,0,0|1,2,0]=4 1389 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000185761_100000210760 [1,0,0,0,0,0|2,1,0]=4 1390 B12R1.21 CC(C)CSc1ccc(cc1)N 62a_100000210624_100000185761 [1,0,0,0,0,0|2,1,0]=4 1391 B12R1.21 CC(C)CSc1ccc(cc1)O 62a_100000210624_100000185759 [1,0,0,0,0,0|2,1,0]=4 1392 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100000210624_100011356976 [1,0,0,0,0,0|2,1,0]=4 1393 B12R1.21 CC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000210760 [1,0,0,0,0,0|2,1,0]=4 1394 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000034144_100000210760 [1,0,0,0,0,0|2,1,0]=4 1395 B12R1.21 CC(C)CSc1ccc(nc1)Cl 62a_100000210624_100000034144 [1,0,0,0,0,0|2,1,0]=4 1396 B12R1.21 CC(C)NCc1ccc(cc1)Cl 207a_100138425928_100000189385 [1,0,0,0,0,0|3,0,0]=4 1397 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000210206 [1,0,0,0,0,0|3,0,0]=4 1398 B12R1.21 CC(C)NCc1ccc(cc1)Cl 2230a_100138425928_100000694040 [1,0,0,0,0,0|3,0,0]=4 1399 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000210206 [1,0,0,0,0,0|3,0,0]=4 1400 B12R1.21 CC(C)NCc1ccc(cc1)Cl 34a_100138425928_100000694040 [1,0,0,0,0,0|3,0,0]=4 1401 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000210206 [1,0,0,0,0,0|3,0,0]=4 1402 B12R1.21 CC(C)OCc1ccc(cc1)Cl 34a_100000212225_100000694040 [1,0,0,0,0,0|3,0,0]=4 1403 B12R1.21 CC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000210206 [1,0,0,0,0,0|3,0,0]=4 1404 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000210206 [1,0,0,0,0,0|3,0,0]=4 1405 B12R1.21 CC(C)SCc1ccc(cc1)Cl 62a_100000210206_100000187161 [1,0,0,0,0,0|3,0,0]=4 1406 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [1,0,0,0,0,0|1,1,1]=4 1407 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [1,0,0,0,0,0|1,0,1]=3 1408 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [1,0,0,0,0,0|1,1,1]=4 1409 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [1,0,0,0,0,0|2,0,1]=4 1410 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [1,0,0,0,0,0|2,0,1]=4 1411 B12R1.21 CC(O)C=Cc1ccc(cn1)Cl 271570a_200011019289_100011356976 [1,0,0,0,0,0|2,0,1]=4 1412 B12R1.21 CC(O)C=Cc1ccc(nc1)Cl 271570a_200011019289_100000034144 [1,0,0,0,0,0|2,0,1]=4 1413 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [1,0,0,0,0,0|1,1,0]=3 1414 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [1,0,0,0,0,0|1,1,0]=3 1415 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [1,0,0,0,0,0|1,0,0]=2 1416 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [1,0,0,0,0,0|1,0,0]=2 1417 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [1,0,0,0,0,0|1,1,0]=3 1418 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [1,0,0,0,0,0|1,1,0]=3 1419 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [1,0,0,0,0,0|2,0,0]=3 1420 B12R1.21 CC(O)CNc1ccc(cn1)Br 27a_100000210904_100000686858 [1,0,0,0,0,0|2,1,0]=4 1421 B12R1.21 CC(O)CNc1ncc(cn1)Cl 27a_100000210904_100011356929 [1,0,0,0,0,0|3,0,0]=4 1422 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [1,0,0,0,0,0|2,0,0]=3 1423 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [1,0,0,0,0,0|0,1,0]=2 1424 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [1,0,0,0,0,0|0,1,0]=2 1425 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [1,0,0,0,0,0|0,0,0]=1 1426 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [1,0,0,0,0,0|0,0,0]=1 1427 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [1,0,0,0,0,0|0,1,0]=2 1428 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [1,0,0,0,0,0|0,1,0]=2 1429 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [1,0,0,0,0,0|0,1,0]=2 1430 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [1,0,0,0,0,0|1,0,0]=2 1431 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [1,0,0,0,0,0|1,0,0]=2 1432 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [1,0,0,0,0,0|1,1,0]=3 1433 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [1,0,0,0,0,0|2,0,0]=3 1434 B12R1.21 CC(O)COc1ccc(nc1)Br 34a_100000685995_100011218427 [1,0,0,0,0,0|1,1,0]=3 1435 B12R1.21 CC(O)COc1ccc(nc1)Br 7a_100000685995_100011218427 [1,0,0,0,0,0|1,1,0]=3 1436 B12R1.21 CC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218427 [1,0,0,0,0,0|1,0,0]=2 1437 B12R1.21 CC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218427 [1,0,0,0,0,0|1,0,0]=2 1438 B12R1.21 CC(O)COc1ccc(nc1)F 34a_100000688820_100011218427 [1,0,0,0,0,0|1,1,0]=3 1439 B12R1.21 CC(O)COc1ccc(nc1)F 7a_100000688820_100011218427 [1,0,0,0,0,0|1,1,0]=3 1440 B12R1.21 CC(O)COc1ccc(nc1)I 34a_100000687607_100011218427 [1,0,0,0,0,0|1,1,0]=3 1441 B12R1.21 CC(O)COc1ccc(nc1)I 7a_100000687607_100011218427 [1,0,0,0,0,0|1,1,0]=3 1442 B12R1.21 CC(O)COc1ccc(nc1)N 34a_100015188713_100011218427 [1,0,0,0,0,0|2,0,0]=3 1443 B12R1.21 CC(O)COc1ccc(nc1)N 7a_100015188713_100011218427 [1,0,0,0,0,0|2,0,0]=3 1444 B12R1.21 CC(O)COc1cnc(cn1)Br 34a_100011934580_100011218427 [1,0,0,0,0,0|2,1,0]=4 1445 B12R1.21 CC(O)COc1cnc(cn1)Cl 34a_100015839800_100011218427 [1,0,0,0,0,0|2,0,0]=3 1446 B12R1.21 CC(O)COc1cnc(nc1)Br 34a_100000730009_100011218427 [1,0,0,0,0,0|2,1,0]=4 1447 B12R1.21 CC(O)COc1cnc(nc1)Br 7a_100000730009_100011218427 [1,0,0,0,0,0|2,1,0]=4 1448 B12R1.21 CC(O)COc1cnc(nc1)Cl 34a_100000092845_100011218427 [1,0,0,0,0,0|2,0,0]=3 1449 B12R1.21 CC(O)COc1cnc(nc1)Cl 7a_100000092845_100011218427 [1,0,0,0,0,0|2,0,0]=3 1450 B12R1.21 CC(O)COc1cnc(nc1)F 34a_200009874573_100011218427 [1,0,0,0,0,0|2,1,0]=4 1451 B12R1.21 CC(O)COc1cnc(nc1)F 7a_200009874573_100011218427 [1,0,0,0,0,0|2,1,0]=4 1452 B12R1.21 CC(O)COc1cnc(nc1)N 34a_100000087137_100011218427 [1,0,0,0,0,0|3,0,0]=4 1453 B12R1.21 CC(O)COc1cnc(nc1)N 7a_100000087137_100011218427 [1,0,0,0,0,0|3,0,0]=4 1454 B12R1.21 CC(O)COc1ncc(cn1)F 34a_100011934040_100011218427 [1,0,0,0,0,0|2,1,0]=4 1455 B12R1.21 CC(O)CSc1cc[n+](cc1)[O-] 62a_100011218427_100000039755 [1,0,0,0,0,0|2,1,0]=4 1456 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218427 [1,0,0,0,0,0|2,1,0]=4 1457 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100011218427_100000212171 [1,0,0,0,0,0|2,1,0]=4 1458 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [1,0,0,0,0,0|0,2,0]=3 1459 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [1,0,0,0,0,0|0,2,0]=3 1460 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [1,0,0,0,0,0|0,1,0]=2 1461 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [1,0,0,0,0,0|0,1,0]=2 1462 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [1,0,0,0,0,0|0,2,0]=3 1463 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [1,0,0,0,0,0|0,2,0]=3 1464 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [1,0,0,0,0,0|1,1,0]=3 1465 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [1,0,0,0,0,0|1,1,0]=3 1466 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [1,0,0,0,0,0|1,1,0]=3 1467 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100000686858_100011218427 [1,0,0,0,0,0|1,2,0]=4 1468 B12R1.21 CC(O)CSc1ccc(cn1)Br 62a_100011218427_100000686858 [1,0,0,0,0,0|1,2,0]=4 1469 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011218427_100011356976 [1,0,0,0,0,0|1,1,0]=3 1470 B12R1.21 CC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011218427 [1,0,0,0,0,0|1,1,0]=3 1471 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100000744514_100011218427 [1,0,0,0,0,0|1,2,0]=4 1472 B12R1.21 CC(O)CSc1ccc(cn1)F 62a_100011218427_100000744514 [1,0,0,0,0,0|1,2,0]=4 1473 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100000737798_100011218427 [1,0,0,0,0,0|2,1,0]=4 1474 B12R1.21 CC(O)CSc1ccc(cn1)N 62a_100011218427_100000737798 [1,0,0,0,0,0|2,1,0]=4 1475 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100000685995_100011218427 [1,0,0,0,0,0|2,1,0]=4 1476 B12R1.21 CC(O)CSc1ccc(cn1)O 62a_100011218427_100000744096 [1,0,0,0,0,0|2,1,0]=4 1477 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100009814638_100011218427 [1,0,0,0,0,0|1,2,0]=4 1478 B12R1.21 CC(O)CSc1ccc(nc1)Br 62a_100011218427_100009814638 [1,0,0,0,0,0|1,2,0]=4 1479 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011218427 [1,0,0,0,0,0|1,1,0]=3 1480 B12R1.21 CC(O)CSc1ccc(nc1)Cl 62a_100011218427_100000034144 [1,0,0,0,0,0|1,1,0]=3 1481 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100000042367_100011218427 [1,0,0,0,0,0|1,2,0]=4 1482 B12R1.21 CC(O)CSc1ccc(nc1)F 62a_100011218427_100000042367 [1,0,0,0,0,0|1,2,0]=4 1483 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100000187370_100011218427 [1,0,0,0,0,0|2,1,0]=4 1484 B12R1.21 CC(O)CSc1ccc(nc1)N 62a_100011218427_100000187370 [1,0,0,0,0,0|2,1,0]=4 1485 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011218427 [1,0,0,0,0,0|2,1,0]=4 1486 B12R1.21 CC(O)CSc1ccc(nn1)Cl 62a_100011218427_100000068654 [1,0,0,0,0,0|2,1,0]=4 1487 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011218427 [1,0,0,0,0,0|2,1,0]=4 1488 B12R1.21 CC(O)CSc1cnc(cn1)Cl 62a_100011218427_100010214907 [1,0,0,0,0,0|2,1,0]=4 1489 B12R1.21 CC(O)CSc1cnc(nc1)Cl 62a_100000059775_100011218427 [1,0,0,0,0,0|2,1,0]=4 1490 B12R1.21 CC(O)CSc1cnc(nc1)Cl 62a_100011218427_100000059775 [1,0,0,0,0,0|2,1,0]=4 1491 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011218427_100011356929 [1,0,0,0,0,0|2,1,0]=4 1492 B12R1.21 CC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011218427 [1,0,0,0,0,0|2,1,0]=4 1493 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1494 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [1,0,0,0,0,0|3,0,0]=4 1495 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1496 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [1,0,0,0,0,0|3,0,0]=4 1497 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [1,0,0,0,0,0|3,0,0]=4 1498 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1499 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1500 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [1,0,0,0,0,0|3,0,0]=4 1501 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [1,0,0,0,0,0|1,1,0]=3 1502 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [1,0,0,0,0,0|1,1,0]=3 1503 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [1,0,0,0,0,0|1,0,0]=2 1504 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [1,0,0,0,0,0|1,0,0]=2 1505 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [1,0,0,0,0,0|1,1,0]=3 1506 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [1,0,0,0,0,0|1,1,0]=3 1507 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [1,0,0,0,0,0|2,0,0]=3 1508 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [1,0,0,0,0,0|2,0,0]=3 1509 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [1,0,0,0,0,0|0,1,0]=2 1510 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [1,0,0,0,0,0|0,1,0]=2 1511 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [1,0,0,0,0,0|0,0,0]=1 1512 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [1,0,0,0,0,0|0,0,0]=1 1513 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [1,0,0,0,0,0|0,1,0]=2 1514 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [1,0,0,0,0,0|0,1,0]=2 1515 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [1,0,0,0,0,0|0,1,0]=2 1516 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [1,0,0,0,0,0|1,0,0]=2 1517 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [1,0,0,0,0,0|1,0,0]=2 1518 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [1,0,0,0,0,0|1,1,0]=3 1519 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [1,0,0,0,0,0|2,0,0]=3 1520 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 34a_100000685995_100009817552 [1,0,0,0,0,0|1,1,0]=3 1521 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 7a_100000685995_100009817552 [1,0,0,0,0,0|1,1,0]=3 1522 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009817552 [1,0,0,0,0,0|1,0,0]=2 1523 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009817552 [1,0,0,0,0,0|1,0,0]=2 1524 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 34a_100000688820_100009817552 [1,0,0,0,0,0|1,1,0]=3 1525 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 7a_100000688820_100009817552 [1,0,0,0,0,0|1,1,0]=3 1526 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 34a_100000687607_100009817552 [1,0,0,0,0,0|1,1,0]=3 1527 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 7a_100000687607_100009817552 [1,0,0,0,0,0|1,1,0]=3 1528 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 34a_100015188713_100009817552 [1,0,0,0,0,0|2,0,0]=3 1529 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 7a_100015188713_100009817552 [1,0,0,0,0,0|2,0,0]=3 1530 B12R1.21 C[C@@H](O)COc1cnc(cn1)Br 34a_100011934580_100009817552 [1,0,0,0,0,0|2,1,0]=4 1531 B12R1.21 C[C@@H](O)COc1cnc(cn1)Cl 34a_100015839800_100009817552 [1,0,0,0,0,0|2,0,0]=3 1532 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 34a_100000730009_100009817552 [1,0,0,0,0,0|2,1,0]=4 1533 B12R1.21 C[C@@H](O)COc1cnc(nc1)Br 7a_100000730009_100009817552 [1,0,0,0,0,0|2,1,0]=4 1534 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 34a_100000092845_100009817552 [1,0,0,0,0,0|2,0,0]=3 1535 B12R1.21 C[C@@H](O)COc1cnc(nc1)Cl 7a_100000092845_100009817552 [1,0,0,0,0,0|2,0,0]=3 1536 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 34a_200009874573_100009817552 [1,0,0,0,0,0|2,1,0]=4 1537 B12R1.21 C[C@@H](O)COc1cnc(nc1)F 7a_200009874573_100009817552 [1,0,0,0,0,0|2,1,0]=4 1538 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 34a_100000087137_100009817552 [1,0,0,0,0,0|3,0,0]=4 1539 B12R1.21 C[C@@H](O)COc1cnc(nc1)N 7a_100000087137_100009817552 [1,0,0,0,0,0|3,0,0]=4 1540 B12R1.21 C[C@@H](O)COc1ncc(cn1)F 34a_100011934040_100009817552 [1,0,0,0,0,0|2,1,0]=4 1541 B12R1.21 C[C@@H](O)CSc1cc[n+](cc1)[O-] 62a_100009817552_100000039755 [1,0,0,0,0,0|2,1,0]=4 1542 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100000212171_100009817552 [1,0,0,0,0,0|2,1,0]=4 1543 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100009817552_100000212171 [1,0,0,0,0,0|2,1,0]=4 1544 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [1,0,0,0,0,0|0,2,0]=3 1545 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [1,0,0,0,0,0|0,2,0]=3 1546 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [1,0,0,0,0,0|0,1,0]=2 1547 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [1,0,0,0,0,0|0,1,0]=2 1548 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [1,0,0,0,0,0|0,2,0]=3 1549 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [1,0,0,0,0,0|0,2,0]=3 1550 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [1,0,0,0,0,0|1,1,0]=3 1551 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [1,0,0,0,0,0|1,1,0]=3 1552 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [1,0,0,0,0,0|1,1,0]=3 1553 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009817552 [1,0,0,0,0,0|1,2,0]=4 1554 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Br 62a_100009817552_100000686858 [1,0,0,0,0,0|1,2,0]=4 1555 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100009817552_100011356976 [1,0,0,0,0,0|1,1,0]=3 1556 B12R1.21 C[C@@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009817552 [1,0,0,0,0,0|1,1,0]=3 1557 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100000744514_100009817552 [1,0,0,0,0,0|1,2,0]=4 1558 B12R1.21 C[C@@H](O)CSc1ccc(cn1)F 62a_100009817552_100000744514 [1,0,0,0,0,0|1,2,0]=4 1559 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100000737798_100009817552 [1,0,0,0,0,0|2,1,0]=4 1560 B12R1.21 C[C@@H](O)CSc1ccc(cn1)N 62a_100009817552_100000737798 [1,0,0,0,0,0|2,1,0]=4 1561 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100000685995_100009817552 [1,0,0,0,0,0|2,1,0]=4 1562 B12R1.21 C[C@@H](O)CSc1ccc(cn1)O 62a_100009817552_100000744096 [1,0,0,0,0,0|2,1,0]=4 1563 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009817552 [1,0,0,0,0,0|1,2,0]=4 1564 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Br 62a_100009817552_100009814638 [1,0,0,0,0,0|1,2,0]=4 1565 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009817552 [1,0,0,0,0,0|1,1,0]=3 1566 B12R1.21 C[C@@H](O)CSc1ccc(nc1)Cl 62a_100009817552_100000034144 [1,0,0,0,0,0|1,1,0]=3 1567 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100000042367_100009817552 [1,0,0,0,0,0|1,2,0]=4 1568 B12R1.21 C[C@@H](O)CSc1ccc(nc1)F 62a_100009817552_100000042367 [1,0,0,0,0,0|1,2,0]=4 1569 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100000187370_100009817552 [1,0,0,0,0,0|2,1,0]=4 1570 B12R1.21 C[C@@H](O)CSc1ccc(nc1)N 62a_100009817552_100000187370 [1,0,0,0,0,0|2,1,0]=4 1571 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100000068654_100009817552 [1,0,0,0,0,0|2,1,0]=4 1572 B12R1.21 C[C@@H](O)CSc1ccc(nn1)Cl 62a_100009817552_100000068654 [1,0,0,0,0,0|2,1,0]=4 1573 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100009817552_100010214907 [1,0,0,0,0,0|2,1,0]=4 1574 B12R1.21 C[C@@H](O)CSc1cnc(cn1)Cl 62a_100010214907_100009817552 [1,0,0,0,0,0|2,1,0]=4 1575 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Cl 62a_100000059775_100009817552 [1,0,0,0,0,0|2,1,0]=4 1576 B12R1.21 C[C@@H](O)CSc1cnc(nc1)Cl 62a_100009817552_100000059775 [1,0,0,0,0,0|2,1,0]=4 1577 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100009817552_100011356929 [1,0,0,0,0,0|2,1,0]=4 1578 B12R1.21 C[C@@H](O)CSc1ncc(cn1)Cl 62a_100011356929_100009817552 [1,0,0,0,0,0|2,1,0]=4 1579 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [1,0,0,0,0,0|2,0,1]=4 1580 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [1,0,0,0,0,0|3,0,0]=4 1581 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [1,0,0,0,0,0|2,0,0]=3 1582 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [1,0,0,0,0,0|2,0,0]=3 1583 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,0,0,0,0,0|1,0,2]=4 1584 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [1,0,0,0,0,0|2,0,0]=3 1585 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [1,0,0,0,0,0|2,0,0]=3 1586 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [1,0,0,0,0,0|1,0,0]=2 1587 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [1,0,0,0,0,0|1,0,0]=2 1588 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [1,0,0,0,0,0|3,0,0]=4 1589 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [1,0,0,0,0,0|3,0,0]=4 1590 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [1,0,0,0,0,0|1,0,0]=2 1591 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [1,0,0,0,0,0|1,0,0]=2 1592 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [1,0,0,0,0,0|2,1,0]=4 1593 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [1,0,0,0,0,0|2,1,0]=4 1594 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [1,0,0,0,0,0|1,1,0]=3 1595 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [1,0,0,0,0,0|1,1,0]=3 1596 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [1,0,0,0,0,0|1,1,0]=3 1597 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [1,0,0,0,0,0|1,1,0]=3 1598 B12R1.21 Cc1ccc(cn1)OCC(C)C 34a_100000745506_100000210624 [1,0,0,0,0,0|3,0,0]=4 1599 B12R1.21 Cc1ccc(cn1)OCC(C)C 7a_100000745506_100000210760 [1,0,0,0,0,0|3,0,0]=4 1600 B12R1.21 Cc1ccc(cn1)OCC(C)O 34a_100000745506_100011218427 [1,0,0,0,0,0|2,0,0]=3 1601 B12R1.21 Cc1ccc(cn1)OCC(C)O 7a_100000745506_100011218427 [1,0,0,0,0,0|2,0,0]=3 1602 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 34a_100000745506_100009817552 [1,0,0,0,0,0|2,0,0]=3 1603 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 7a_100000745506_100009817552 [1,0,0,0,0,0|2,0,0]=3 1604 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100000751577_100011218427 [1,0,0,0,0,0|2,1,0]=4 1605 B12R1.21 Cc1ccc(cn1)SCC(C)O 62a_100011218427_100000751577 [1,0,0,0,0,0|2,1,0]=4 1606 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100000751577_100009817552 [1,0,0,0,0,0|2,1,0]=4 1607 B12R1.21 Cc1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000751577 [1,0,0,0,0,0|2,1,0]=4 1608 B12R1.21 Cc1ccc(nc1)OCC(C)C 34a_100000759353_100000210624 [1,0,0,0,0,0|3,0,0]=4 1609 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [1,0,0,0,0,0|2,0,0]=3 1610 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [1,0,0,0,0,0|2,0,0]=3 1611 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011192072_100011218427 [1,0,0,0,0,0|2,1,0]=4 1612 B12R1.21 Cc1ccc(nc1)SCC(C)O 62a_100011218427_100000754016 [1,0,0,0,0,0|2,1,0]=4 1613 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000754016 [1,0,0,0,0,0|2,1,0]=4 1614 B12R1.21 Cc1ccc(nc1)SC[C@@H](C)O 62a_100011192072_100009817552 [1,0,0,0,0,0|2,1,0]=4 1615 B12R1.21 Cc1ncc(cn1)OCC(C)O 34a_100000062939_100011218427 [1,0,0,0,0,0|3,0,0]=4 1616 B12R1.21 Cc1ncc(cn1)OCC(C)O 7a_100000062939_100011218427 [1,0,0,0,0,0|3,0,0]=4 1617 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 34a_100000062939_100009817552 [1,0,0,0,0,0|3,0,0]=4 1618 B12R1.21 Cc1ncc(cn1)OC[C@@H](C)O 7a_100000062939_100009817552 [1,0,0,0,0,0|3,0,0]=4 1619 B12R1.21 FC(F)CNc1ccc(cc1)Cl 2230a_100000210052_100011934356 [1,0,0,0,0,0|3,0,0]=4 1620 B12R1.21 FC(F)CNc1ccc(cc1)Cl 34a_100000210052_100011934356 [1,0,0,0,0,0|3,0,0]=4 1621 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [1,0,0,0,0,0|2,1,0]=4 1622 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [1,0,0,0,0,0|2,1,0]=4 1623 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [1,0,0,0,0,0|2,0,0]=3 1624 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [1,0,0,0,0,0|2,0,0]=3 1625 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [1,0,0,0,0,0|2,1,0]=4 1626 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [1,0,0,0,0,0|2,1,0]=4 1627 B12R1.21 FC(F)COc1ccc(cn1)Cl 34a_100011215309_100011934356 [1,0,0,0,0,0|3,0,0]=4 1628 B12R1.21 FC(F)COc1ccc(nc1)Cl 34a_100000744096_100011934356 [1,0,0,0,0,0|3,0,0]=4 1629 B12R1.21 FC(F)COc1ccc(nc1)Cl 7a_100000744096_100011934356 [1,0,0,0,0,0|3,0,0]=4 1630 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100000755918_100011934356 [1,0,0,0,0,0|2,1,0]=4 1631 B12R1.21 FC(F)CSc1ccc(cc1)Cl 62a_100011934356_100000755918 [1,0,0,0,0,0|2,1,0]=4 1632 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [1,0,0,0,0,0|2,1,0]=4 1633 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [1,0,0,0,0,0|1,0,2]=4 1634 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [1,0,0,0,0,0|1,0,2]=4 1635 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [1,0,0,0,0,0|3,0,0]=4 1636 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [1,0,0,0,0,0|0,0,3]=4 1637 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [1,0,0,0,0,0|1,0,2]=4 1638 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,0,0,0,0,0|1,0,2]=4 1639 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,0,0,0,0,0|0,1,2]=4 1640 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,0,0,0,0,0|0,0,2]=3 1641 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,0,0,0,0,0|0,1,2]=4 1642 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,0,0,0,0,0|0,1,2]=4 1643 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,0,0,0,0,0|1,0,2]=4 1644 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,0,0,0,0,0|0,1,2]=4 1645 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [1,0,0,0,0,0|2,0,1]=4 1646 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [1,0,0,0,0,0|1,0,1]=3 1647 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [1,0,0,0,0,0|1,0,1]=3 1648 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [1,0,0,0,0,0|2,0,1]=4 1649 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [1,0,0,0,0,0|2,0,1]=4 1650 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [1,0,0,0,0,0|2,0,1]=4 1651 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [1,0,0,0,0,0|1,1,1]=4 1652 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [1,0,0,0,0,0|1,1,1]=4 1653 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [1,0,0,0,0,0|3,0,0]=4 1654 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [1,0,0,0,0,0|3,0,0]=4 1655 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [1,0,0,0,0,0|3,0,0]=4 1656 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [1,0,0,0,0,0|3,0,0]=4 1657 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [1,0,0,0,0,0|3,0,0]=4 1658 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [1,0,0,0,0,0|3,0,0]=4 1659 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [1,0,0,0,0,0|3,0,0]=4 1660 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [1,0,0,0,0,0|3,0,0]=4 1661 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [1,0,0,0,0,0|3,0,0]=4 1662 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [1,0,0,0,0,0|1,0,2]=4 1663 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [1,0,0,0,0,0|1,0,2]=4 1664 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [1,0,0,0,0,0|3,0,0]=4 1665 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [1,0,0,0,0,0|2,0,0]=3 1666 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [1,0,0,0,0,0|2,0,0]=3 1667 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [1,0,0,0,0,0|3,0,0]=4 1668 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [1,0,0,0,0,0|3,0,0]=4 1669 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [1,0,0,0,0,0|3,0,0]=4 1670 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [1,0,0,0,0,0|2,1,0]=4 1671 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [1,0,0,0,0,0|2,1,0]=4 1672 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [1,0,0,0,0,0|2,0,0]=3 1673 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [1,0,0,0,0,0|1,0,0]=2 1674 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [1,0,0,0,0,0|1,0,0]=2 1675 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [1,0,0,0,0,0|2,0,0]=3 1676 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [1,0,0,0,0,0|2,0,0]=3 1677 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [1,0,0,0,0,0|2,0,0]=3 1678 B12R1.27 CCC(O)COc1ccnnc1 34a_100015204005_100011218378 [1,0,0,0,0,0|3,0,0]=4 1679 B12R1.27 CCC(O)COc1cncnc1 7a_100000754086_100011218378 [1,0,0,0,0,0|3,0,0]=4 1680 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [1,0,0,0,0,0|1,1,0]=3 1681 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [1,0,0,0,0,0|1,1,0]=3 1682 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [1,0,0,0,0,0|2,1,0]=4 1683 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [1,0,0,0,0,0|2,1,0]=4 1684 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [1,0,0,0,0,0|2,1,0]=4 1685 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [1,0,0,0,0,0|2,1,0]=4 1686 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [1,0,0,0,0,0|2,1,0]=4 1687 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [1,0,0,0,0,0|2,1,0]=4 1688 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [1,0,0,0,0,0|3,0,0]=4 1689 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [1,0,0,0,0,0|2,0,0]=3 1690 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [1,0,0,0,0,0|2,0,0]=3 1691 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [1,0,0,0,0,0|3,0,0]=4 1692 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [1,0,0,0,0,0|3,0,0]=4 1693 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [1,0,0,0,0,0|3,0,0]=4 1694 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [1,0,0,0,0,0|2,1,0]=4 1695 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [1,0,0,0,0,0|2,1,0]=4 1696 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [1,0,0,0,0,0|3,0,0]=4 1697 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [1,0,0,0,0,0|3,0,0]=4 1698 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [1,0,0,0,0,0|3,0,0]=4 1699 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [1,0,0,0,0,0|3,0,0]=4 1700 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [1,0,0,0,0,0|3,0,0]=4 1701 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [1,0,0,0,0,0|2,0,0]=3 1702 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [1,0,0,0,0,0|1,0,0]=2 1703 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [1,0,0,0,0,0|1,0,0]=2 1704 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [1,0,0,0,0,0|2,0,0]=3 1705 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [1,0,0,0,0,0|2,0,0]=3 1706 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [1,0,0,0,0,0|2,0,0]=3 1707 B12R1.27 C[C@@H](CO)COc1ccnnc1 34a_100015204005_100000059175 [1,0,0,0,0,0|3,0,0]=4 1708 B12R1.27 C[C@@H](CO)COc1cncnc1 7a_100000754086_100000059175 [1,0,0,0,0,0|3,0,0]=4 1709 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [1,0,0,0,0,0|1,1,0]=3 1710 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [1,0,0,0,0,0|1,1,0]=3 1711 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [1,0,0,0,0,0|2,1,0]=4 1712 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [1,0,0,0,0,0|2,1,0]=4 1713 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [1,0,0,0,0,0|2,1,0]=4 1714 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [1,0,0,0,0,0|2,1,0]=4 1715 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [1,0,0,0,0,0|2,1,0]=4 1716 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [1,0,0,0,0,0|2,1,0]=4 1717 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [1,0,0,0,0,0|3,0,0]=4 1718 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [1,0,0,0,0,0|3,0,0]=4 1719 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [1,0,0,0,0,0|3,0,0]=4 1720 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [1,0,0,0,0,0|3,0,0]=4 1721 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [1,0,0,0,0,0|3,0,0]=4 1722 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [1,0,0,0,0,0|1,0,2]=4 1723 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,0,0,0,0,0|1,0,2]=4 1724 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [1,0,0,0,0,0|1,0,0]=2 1725 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [1,0,0,0,0,0|0,0,0]=1 1726 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [1,0,0,0,0,0|0,0,0]=1 1727 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [1,0,0,0,0,0|1,0,0]=2 1728 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [1,0,0,0,0,0|1,0,0]=2 1729 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [1,0,0,0,0,0|1,0,0]=2 1730 B12R1.27 OCC(O)COc1ccnnc1 34a_100015204005_100011219619 [1,0,0,0,0,0|2,0,0]=3 1731 B12R1.27 OCC(O)COc1cncnc1 7a_100000754086_100011219619 [1,0,0,0,0,0|2,0,0]=3 1732 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [1,0,0,0,0,0|0,1,0]=2 1733 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [1,0,0,0,0,0|0,1,0]=2 1734 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [1,0,0,0,0,0|1,1,0]=3 1735 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [1,0,0,0,0,0|1,1,0]=3 1736 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [1,0,0,0,0,0|1,1,0]=3 1737 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [1,0,0,0,0,0|1,1,0]=3 1738 B12R1.27 OCC(O)CSc1cccnn1 62a_100011219619_100016991348 [1,0,0,0,0,0|2,1,0]=4 1739 B12R1.27 OCC(O)CSc1cccnn1 62a_100016991348_100011219619 [1,0,0,0,0,0|2,1,0]=4 1740 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [1,0,0,0,0,0|1,1,0]=3 1741 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [1,0,0,0,0,0|1,1,0]=3 1742 B12R1.27 OCC(O)CSc1ccncn1 62a_100000703185_100011219619 [1,0,0,0,0,0|2,1,0]=4 1743 B12R1.27 OCC(O)CSc1ccncn1 62a_100011219619_100000703185 [1,0,0,0,0,0|2,1,0]=4 1744 B12R1.27 OCC(O)CSc1ccnnc1 62a_100000732662_100011219619 [1,0,0,0,0,0|2,1,0]=4 1745 B12R1.27 OCC(O)CSc1ccnnc1 62a_100011219619_100000732662 [1,0,0,0,0,0|2,1,0]=4 1746 B12R1.27 OCC(O)CSc1cnccn1 62a_100000211759_100011219619 [1,0,0,0,0,0|2,1,0]=4 1747 B12R1.27 OCC(O)CSc1cnccn1 62a_100011219619_100000211759 [1,0,0,0,0,0|2,1,0]=4 1748 B12R1.27 OCC(O)CSc1cncnc1 62a_100011206942_100011219619 [1,0,0,0,0,0|2,1,0]=4 1749 B12R1.27 OCC(O)CSc1cncnc1 62a_100011219619_100011206942 [1,0,0,0,0,0|2,1,0]=4 1750 B12R1.27 OCC(O)CSc1ncccn1 62a_100000211032_100011219619 [1,0,0,0,0,0|2,1,0]=4 1751 B12R1.27 OCC(O)CSc1ncccn1 62a_100011219619_100000211032 [1,0,0,0,0,0|2,1,0]=4 1752 B12R1.27 OC[C@@H](O)CNc1cccnn1 27a_100020644852_100016991348 [1,0,0,0,0,0|3,0,0]=4 1753 B12R1.27 OC[C@@H](O)CNc1ccncn1 27a_100020644852_100000703185 [1,0,0,0,0,0|3,0,0]=4 1754 B12R1.27 OC[C@@H](O)CNc1cnccn1 27a_100020644852_100000211759 [1,0,0,0,0,0|3,0,0]=4 1755 B12R1.27 OC[C@@H](O)CNc1ncccn1 27a_100020644852_100000211032 [1,0,0,0,0,0|3,0,0]=4 1756 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [1,0,0,0,0,0|1,0,0]=2 1757 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [1,0,0,0,0,0|0,0,0]=1 1758 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [1,0,0,0,0,0|0,0,0]=1 1759 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [1,0,0,0,0,0|1,0,0]=2 1760 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [1,0,0,0,0,0|1,0,0]=2 1761 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [1,0,0,0,0,0|1,0,0]=2 1762 B12R1.27 OC[C@H](O)COc1ccnnc1 34a_100015204005_100009815848 [1,0,0,0,0,0|2,0,0]=3 1763 B12R1.27 OC[C@H](O)COc1cncnc1 7a_100000754086_100009815848 [1,0,0,0,0,0|2,0,0]=3 1764 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [1,0,0,0,0,0|0,1,0]=2 1765 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [1,0,0,0,0,0|0,1,0]=2 1766 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [1,0,0,0,0,0|1,1,0]=3 1767 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [1,0,0,0,0,0|1,1,0]=3 1768 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [1,0,0,0,0,0|1,1,0]=3 1769 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [1,0,0,0,0,0|1,1,0]=3 1770 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100009815848_100016991348 [1,0,0,0,0,0|2,1,0]=4 1771 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100016991348_100009815848 [1,0,0,0,0,0|2,1,0]=4 1772 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [1,0,0,0,0,0|1,1,0]=3 1773 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [1,0,0,0,0,0|1,1,0]=3 1774 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100000703185_100009815848 [1,0,0,0,0,0|2,1,0]=4 1775 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100009815848_100000703185 [1,0,0,0,0,0|2,1,0]=4 1776 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100000732662_100009815848 [1,0,0,0,0,0|2,1,0]=4 1777 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100009815848_100000732662 [1,0,0,0,0,0|2,1,0]=4 1778 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100000211759_100009815848 [1,0,0,0,0,0|2,1,0]=4 1779 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100009815848_100000211759 [1,0,0,0,0,0|2,1,0]=4 1780 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100009815848_100011206942 [1,0,0,0,0,0|2,1,0]=4 1781 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100011206942_100009815848 [1,0,0,0,0,0|2,1,0]=4 1782 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100000211032_100009815848 [1,0,0,0,0,0|2,1,0]=4 1783 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100009815848_100000211032 [1,0,0,0,0,0|2,1,0]=4 1784 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [1,0,0,0,0,0|2,0,0]=3 1785 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [1,0,0,0,0,0|1,0,0]=2 1786 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [1,0,0,0,0,0|1,0,0]=2 1787 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [1,0,0,0,0,0|2,0,0]=3 1788 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [1,0,0,0,0,0|2,0,0]=3 1789 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [1,0,0,0,0,0|2,0,0]=3 1790 B12R1.27 O[C@@H](CF)COc1ccnnc1 34a_100015204005_100015614560 [1,0,0,0,0,0|3,0,0]=4 1791 B12R1.27 O[C@@H](CF)COc1cncnc1 7a_100000754086_100015614560 [1,0,0,0,0,0|3,0,0]=4 1792 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [1,0,0,0,0,0|1,1,0]=3 1793 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [1,0,0,0,0,0|1,1,0]=3 1794 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [1,0,0,0,0,0|2,1,0]=4 1795 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [1,0,0,0,0,0|2,1,0]=4 1796 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100000210063_100015614560 [1,0,0,0,0,0|2,1,0]=4 1797 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100015614560_100000210063 [1,0,0,0,0,0|2,1,0]=4 1798 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100000728582_100015614560 [1,0,0,0,0,0|2,1,0]=4 1799 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100015614560_100000728582 [1,0,0,0,0,0|2,1,0]=4 1800 B14R1.5 C#Cc1ccc(cc1)NCC(O)CC 34a_100011215031_100011218378 [0,1,0,0,0,0|3,0,0]=4 1801 B14R1.5 C#Cc1ccc(cc1)NCC(O)CO 34a_100011215031_100011219619 [0,1,0,0,0,0|2,0,0]=3 1802 B14R1.5 C#Cc1ccc(cc1)NC[C@@H](C)CO 34a_100011215031_100000059175 [0,1,0,0,0,0|3,0,0]=4 1803 B14R1.5 C#Cc1ccc(cc1)NC[C@@H](O)CF 34a_100011215031_100015614560 [0,1,0,0,0,0|3,0,0]=4 1804 B14R1.5 C#Cc1ccc(cc1)NC[C@@H](O)CO 34a_100011215031_100009815848 [0,1,0,0,0,0|2,0,0]=3 1805 B14R1.5 C#Cc1ccc(nc1)OCC(O)CC 34a_200009884252_100011218378 [0,1,0,0,0,0|3,0,0]=4 1806 B14R1.5 C#Cc1ccc(nc1)OCC(O)CO 34a_200009884252_100011219619 [0,1,0,0,0,0|2,0,0]=3 1807 B14R1.5 C#Cc1ccc(nc1)OC[C@@H](C)CO 34a_200009884252_100000059175 [0,1,0,0,0,0|3,0,0]=4 1808 B14R1.5 C#Cc1ccc(nc1)OC[C@@H](O)CF 34a_200009884252_100015614560 [0,1,0,0,0,0|3,0,0]=4 1809 B14R1.5 C#Cc1ccc(nc1)OC[C@@H](O)CO 34a_200009884252_100009815848 [0,1,0,0,0,0|2,0,0]=3 1810 B14R1.5 C=CC(O)COc1ccc(cc1)C#N 34a_100000210344_100000730141 [0,1,0,0,0,0|2,0,1]=4 1811 B14R1.5 C=CC(O)COc1ccc(cc1)C#N 7a_100000210344_100000730141 [0,1,0,0,0,0|2,0,1]=4 1812 B14R1.5 C=CC(O)COc1ccc(cc1)CC 34a_100000211359_100000730141 [0,1,0,0,0,0|2,0,1]=4 1813 B14R1.5 C=CC(O)COc1ccc(cc1)CC 7a_100000211359_100000730141 [0,1,0,0,0,0|2,0,1]=4 1814 B14R1.5 C=CC(O)COc1ccc(cc1)CN 34a_100000185549_100000730141 [0,1,0,0,0,0|2,0,1]=4 1815 B14R1.5 C=CC(O)COc1ccc(cc1)CO 34a_100000211755_100000730141 [0,1,0,0,0,0|2,0,1]=4 1816 B14R1.5 C=CC(O)COc1ccc(cc1)NC 34a_100000182112_100000730141 [0,1,0,0,0,0|2,0,1]=4 1817 B14R1.5 C=CC(O)COc1ccc(cc1)OC 34a_100000210503_100000730141 [0,1,0,0,0,0|2,0,1]=4 1818 B14R1.5 C=CC(O)COc1ccc(cc1)SC 34a_100000211864_100000730141 [0,1,0,0,0,0|2,0,1]=4 1819 B14R1.5 C=Cc1ccc(cc1)NCC(O)CC 34a_100011218248_100011218378 [0,1,0,0,0,0|3,0,0]=4 1820 B14R1.5 C=Cc1ccc(cc1)NCC(O)CO 34a_100011218248_100011219619 [0,1,0,0,0,0|2,0,0]=3 1821 B14R1.5 C=Cc1ccc(cc1)NC[C@@H](C)CO 34a_100011218248_100000059175 [0,1,0,0,0,0|3,0,0]=4 1822 B14R1.5 C=Cc1ccc(cc1)NC[C@@H](O)CF 34a_100011218248_100015614560 [0,1,0,0,0,0|3,0,0]=4 1823 B14R1.5 C=Cc1ccc(cc1)NC[C@@H](O)CO 34a_100011218248_100009815848 [0,1,0,0,0,0|2,0,0]=3 1824 B14R1.5 C=Cc1ccc(cc1)OCC(C)CC 34a_100000189437_100000748023 [0,1,0,0,0,0|3,0,0]=4 1825 B14R1.5 C=Cc1ccc(cc1)OCC(C)CC 7a_100000189437_100000748023 [0,1,0,0,0,0|3,0,0]=4 1826 B14R1.5 C=Cc1ccc(cc1)OCC(O)C=C 34a_100000189437_100000730141 [0,1,0,0,0,0|2,0,1]=4 1827 B14R1.5 C=Cc1ccc(cc1)OCC(O)C=C 7a_100000189437_100000730141 [0,1,0,0,0,0|2,0,1]=4 1828 B14R1.5 C=Cc1ccc(cc1)OCC(O)CC 34a_100000189437_100011218378 [0,1,0,0,0,0|2,0,0]=3 1829 B14R1.5 C=Cc1ccc(cc1)OCC(O)CC 7a_100000189437_100011218378 [0,1,0,0,0,0|2,0,0]=3 1830 B14R1.5 C=Cc1ccc(cc1)OCC(O)CO 34a_100000189437_100011219619 [0,1,0,0,0,0|1,0,0]=2 1831 B14R1.5 C=Cc1ccc(cc1)OCC(O)CO 7a_100000189437_100011219619 [0,1,0,0,0,0|1,0,0]=2 1832 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](C)CC 34a_100000189437_100009816398 [0,1,0,0,0,0|3,0,0]=4 1833 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](C)CC 7a_100000189437_100009816398 [0,1,0,0,0,0|3,0,0]=4 1834 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000189437_100000059175 [0,1,0,0,0,0|2,0,0]=3 1835 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000189437_100000059175 [0,1,0,0,0,0|2,0,0]=3 1836 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000189437_100015614560 [0,1,0,0,0,0|2,0,0]=3 1837 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000189437_100015614560 [0,1,0,0,0,0|2,0,0]=3 1838 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000189437_100009815848 [0,1,0,0,0,0|1,0,0]=2 1839 B14R1.5 C=Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000189437_100009815848 [0,1,0,0,0,0|1,0,0]=2 1840 B14R1.5 C=Cc1ccc(cc1)SCC(O)CC 62a_100000748128_100011218378 [0,1,0,0,0,0|2,1,0]=4 1841 B14R1.5 C=Cc1ccc(cc1)SCC(O)CC 62a_100011218378_100000748128 [0,1,0,0,0,0|2,1,0]=4 1842 B14R1.5 C=Cc1ccc(cc1)SCC(O)CO 62a_100000748128_100011219619 [0,1,0,0,0,0|1,1,0]=3 1843 B14R1.5 C=Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000748128 [0,1,0,0,0,0|1,1,0]=3 1844 B14R1.5 C=Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000748128 [0,1,0,0,0,0|2,1,0]=4 1845 B14R1.5 C=Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000748128_100000059175 [0,1,0,0,0,0|2,1,0]=4 1846 B14R1.5 C=Cc1ccc(cc1)SC[C@@H](O)CF 62a_100000748128_100015614560 [0,1,0,0,0,0|2,1,0]=4 1847 B14R1.5 C=Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000748128 [0,1,0,0,0,0|2,1,0]=4 1848 B14R1.5 C=Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000748128_100009815848 [0,1,0,0,0,0|1,1,0]=3 1849 B14R1.5 C=Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000748128 [0,1,0,0,0,0|1,1,0]=3 1850 B14R1.5 C=Cc1ccc(nc1)SCC(O)CO 62a_100011219619_103436540071 [0,1,0,0,0,0|2,1,0]=4 1851 B14R1.5 C=Cc1ccc(nc1)SCC(O)CO 62a_103436540071_100011219619 [0,1,0,0,0,0|2,1,0]=4 1852 B14R1.5 C=Cc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_103436540071 [0,1,0,0,0,0|2,1,0]=4 1853 B14R1.5 C=Cc1ccc(nc1)SC[C@@H](O)CO 62a_103436540071_100009815848 [0,1,0,0,0,0|2,1,0]=4 1854 B14R1.5 CC(CO)OCc1ccc(cc1)CCl 34a_100000067286_100012180447 [0,1,0,0,0,0|3,0,0]=4 1855 B14R1.5 CC(CO)OCc1ccc(cc1)CCl 7a_100000067286_100012180447 [0,1,0,0,0,0|3,0,0]=4 1856 B14R1.5 CCC(C)COc1ccc(cc1)C#N 34a_100000210344_100000748023 [0,1,0,0,0,0|3,0,0]=4 1857 B14R1.5 CCC(C)COc1ccc(cc1)C#N 7a_100000210344_100000748023 [0,1,0,0,0,0|3,0,0]=4 1858 B14R1.5 CCC(C)COc1ccc(cc1)CN 34a_100000185549_100000748023 [0,1,0,0,0,0|3,0,0]=4 1859 B14R1.5 CCC(C)COc1ccc(cc1)CO 34a_100000211755_100000748023 [0,1,0,0,0,0|3,0,0]=4 1860 B14R1.5 CCC(C)COc1ccc(cc1)NC 34a_100000182112_100000748023 [0,1,0,0,0,0|3,0,0]=4 1861 B14R1.5 CCC(C)COc1ccc(cc1)OC 34a_100000210503_100000748023 [0,1,0,0,0,0|3,0,0]=4 1862 B14R1.5 CCC(C)COc1ccc(cc1)SC 34a_100000211864_100000748023 [0,1,0,0,0,0|3,0,0]=4 1863 B14R1.5 CCC(O)CNc1ccc(cc1)C#N 34a_100000185469_100011218378 [0,1,0,0,0,0|3,0,0]=4 1864 B14R1.5 CCC(O)CNc1ccc(cc1)CO 2230a_100011215238_100011218378 [0,1,0,0,0,0|3,0,0]=4 1865 B14R1.5 CCC(O)CNc1ccc(cc1)CO 34a_100011215238_100011218378 [0,1,0,0,0,0|3,0,0]=4 1866 B14R1.5 CCC(O)CNc1ccc(cc1)OC 34a_100000184247_100011218378 [0,1,0,0,0,0|3,0,0]=4 1867 B14R1.5 CCC(O)CNc1ccc(cc1)SC 34a_100000212337_100011218378 [0,1,0,0,0,0|3,0,0]=4 1868 B14R1.5 CCC(O)COc1ccc(cc1)C#N 34a_100000210344_100011218378 [0,1,0,0,0,0|2,0,0]=3 1869 B14R1.5 CCC(O)COc1ccc(cc1)C#N 7a_100000210344_100011218378 [0,1,0,0,0,0|2,0,0]=3 1870 B14R1.5 CCC(O)COc1ccc(cc1)CN 34a_100000185549_100011218378 [0,1,0,0,0,0|2,0,0]=3 1871 B14R1.5 CCC(O)COc1ccc(cc1)CO 34a_100000211755_100011218378 [0,1,0,0,0,0|2,0,0]=3 1872 B14R1.5 CCC(O)COc1ccc(cc1)NC 34a_100000182112_100011218378 [0,1,0,0,0,0|2,0,0]=3 1873 B14R1.5 CCC(O)COc1ccc(cc1)OC 34a_100000210503_100011218378 [0,1,0,0,0,0|2,0,0]=3 1874 B14R1.5 CCC(O)COc1ccc(cc1)SC 34a_100000211864_100011218378 [0,1,0,0,0,0|2,0,0]=3 1875 B14R1.5 CCC(O)COc1ccc(cn1)CN 34a_100000757128_100011218378 [0,1,0,0,0,0|3,0,0]=4 1876 B14R1.5 CCC(O)COc1ccc(cn1)OC 34a_100012002028_100011218378 [0,1,0,0,0,0|3,0,0]=4 1877 B14R1.5 CCC(O)COc1ccc(nc1)C#N 34a_100011934750_100011218378 [0,1,0,0,0,0|3,0,0]=4 1878 B14R1.5 CCC(O)COc1ccc(nc1)C#N 7a_100011934750_100011218378 [0,1,0,0,0,0|3,0,0]=4 1879 B14R1.5 CCC(O)COc1ccc(nc1)CN 34a_100020605196_100011218378 [0,1,0,0,0,0|3,0,0]=4 1880 B14R1.5 CCC(O)COc1ccc(nc1)CO 34a_103436540053_100011218378 [0,1,0,0,0,0|3,0,0]=4 1881 B14R1.5 CCC(O)COc1ccc(nc1)OC 34a_100011934560_100011218378 [0,1,0,0,0,0|3,0,0]=4 1882 B14R1.5 CCC(O)CSc1ccc(cc1)C#N 62a_100011218378_100000184291 [0,1,0,0,0,0|2,1,0]=4 1883 B14R1.5 CCC(O)CSc1ccc(cc1)C=O 62a_100000188517_100011218378 [0,1,0,0,0,0|2,1,0]=4 1884 B14R1.5 CCC(O)CSc1ccc(cc1)C=O 62a_100011218378_100000188517 [0,1,0,0,0,0|2,1,0]=4 1885 B14R1.5 CCC(O)CSc1ccc(cc1)CF 62a_100010268989_100011218378 [0,1,0,0,0,0|1,2,0]=4 1886 B14R1.5 CCC(O)CSc1ccc(cc1)CF 62a_100011218378_100010268989 [0,1,0,0,0,0|1,2,0]=4 1887 B14R1.5 CCC(O)CSc1ccc(cc1)CN 62a_100011218378_100016989417 [0,1,0,0,0,0|2,1,0]=4 1888 B14R1.5 CCC(O)CSc1ccc(cc1)CN 62a_100016989417_100011218378 [0,1,0,0,0,0|2,1,0]=4 1889 B14R1.5 CCC(O)CSc1ccc(cc1)CO 62a_100000690907_100011218378 [0,1,0,0,0,0|2,1,0]=4 1890 B14R1.5 CCC(O)CSc1ccc(cc1)CO 62a_100011218378_100000690907 [0,1,0,0,0,0|2,1,0]=4 1891 B14R1.5 CCC(O)CSc1ccc(cc1)NC 62a_100000743151_100011218378 [0,1,0,0,0,0|2,1,0]=4 1892 B14R1.5 CCC(O)CSc1ccc(cc1)NC 62a_100011218378_100000743151 [0,1,0,0,0,0|2,1,0]=4 1893 B14R1.5 CCC(O)CSc1ccc(cc1)NN 62a_100011218378_100016988836 [0,1,0,0,0,0|2,1,0]=4 1894 B14R1.5 CCC(O)CSc1ccc(cc1)NN 62a_100016988836_100011218378 [0,1,0,0,0,0|2,1,0]=4 1895 B14R1.5 CCC(O)CSc1ccc(cc1)OC 62a_100011218378_100000171711 [0,1,0,0,0,0|2,1,0]=4 1896 B14R1.5 CCC(O)CSc1ccc(cc1)SC 62a_100011218378_100011263217 [0,1,0,0,0,0|2,1,0]=4 1897 B14R1.5 CCC(O)CSc1ccc(cc1)SC 62a_100011263217_100011218378 [0,1,0,0,0,0|2,1,0]=4 1898 B14R1.5 CC[C@H](C)COc1ccc(cc1)C#N 34a_100000210344_100009816398 [0,1,0,0,0,0|3,0,0]=4 1899 B14R1.5 CC[C@H](C)COc1ccc(cc1)C#N 7a_100000210344_100009816398 [0,1,0,0,0,0|3,0,0]=4 1900 B14R1.5 CC[C@H](C)COc1ccc(cc1)CN 34a_100000185549_100009816398 [0,1,0,0,0,0|3,0,0]=4 1901 B14R1.5 CC[C@H](C)COc1ccc(cc1)CO 34a_100000211755_100009816398 [0,1,0,0,0,0|3,0,0]=4 1902 B14R1.5 CC[C@H](C)COc1ccc(cc1)NC 34a_100000182112_100009816398 [0,1,0,0,0,0|3,0,0]=4 1903 B14R1.5 CC[C@H](C)COc1ccc(cc1)OC 34a_100000210503_100009816398 [0,1,0,0,0,0|3,0,0]=4 1904 B14R1.5 CC[C@H](C)COc1ccc(cc1)SC 34a_100000211864_100009816398 [0,1,0,0,0,0|3,0,0]=4 1905 B14R1.5 CCc1ccc(cc1)NCC(O)CC 2230a_100000211069_100011218378 [0,1,0,0,0,0|3,0,0]=4 1906 B14R1.5 CCc1ccc(cc1)NCC(O)CC 34a_100000211069_100011218378 [0,1,0,0,0,0|3,0,0]=4 1907 B14R1.5 CCc1ccc(cc1)NCC(O)CO 2230a_100000211069_100011219619 [0,1,0,0,0,0|2,0,0]=3 1908 B14R1.5 CCc1ccc(cc1)NCC(O)CO 34a_100000211069_100011219619 [0,1,0,0,0,0|2,0,0]=3 1909 B14R1.5 CCc1ccc(cc1)NC[C@@H](C)CO 2230a_100000211069_100000059175 [0,1,0,0,0,0|3,0,0]=4 1910 B14R1.5 CCc1ccc(cc1)NC[C@@H](C)CO 34a_100000211069_100000059175 [0,1,0,0,0,0|3,0,0]=4 1911 B14R1.5 CCc1ccc(cc1)NC[C@@H](O)CF 2230a_100000211069_100015614560 [0,1,0,0,0,0|3,0,0]=4 1912 B14R1.5 CCc1ccc(cc1)NC[C@@H](O)CF 34a_100000211069_100015614560 [0,1,0,0,0,0|3,0,0]=4 1913 B14R1.5 CCc1ccc(cc1)NC[C@@H](O)CO 2230a_100000211069_100009815848 [0,1,0,0,0,0|2,0,0]=3 1914 B14R1.5 CCc1ccc(cc1)NC[C@@H](O)CO 34a_100000211069_100009815848 [0,1,0,0,0,0|2,0,0]=3 1915 B14R1.5 CCc1ccc(cc1)OCC(C)CC 34a_100000211359_100000748023 [0,1,0,0,0,0|3,0,0]=4 1916 B14R1.5 CCc1ccc(cc1)OCC(C)CC 7a_100000211359_100000748023 [0,1,0,0,0,0|3,0,0]=4 1917 B14R1.5 CCc1ccc(cc1)OCC(O)CC 34a_100000211359_100011218378 [0,1,0,0,0,0|2,0,0]=3 1918 B14R1.5 CCc1ccc(cc1)OCC(O)CC 7a_100000211359_100011218378 [0,1,0,0,0,0|2,0,0]=3 1919 B14R1.5 CCc1ccc(cc1)OCC(O)CO 34a_100000211359_100011219619 [0,1,0,0,0,0|1,0,0]=2 1920 B14R1.5 CCc1ccc(cc1)OCC(O)CO 7a_100000211359_100011219619 [0,1,0,0,0,0|1,0,0]=2 1921 B14R1.5 CCc1ccc(cc1)OC[C@@H](C)CC 34a_100000211359_100009816398 [0,1,0,0,0,0|3,0,0]=4 1922 B14R1.5 CCc1ccc(cc1)OC[C@@H](C)CC 7a_100000211359_100009816398 [0,1,0,0,0,0|3,0,0]=4 1923 B14R1.5 CCc1ccc(cc1)OC[C@@H](C)CO 34a_100000211359_100000059175 [0,1,0,0,0,0|2,0,0]=3 1924 B14R1.5 CCc1ccc(cc1)OC[C@@H](C)CO 7a_100000211359_100000059175 [0,1,0,0,0,0|2,0,0]=3 1925 B14R1.5 CCc1ccc(cc1)OC[C@@H](O)CF 34a_100000211359_100015614560 [0,1,0,0,0,0|2,0,0]=3 1926 B14R1.5 CCc1ccc(cc1)OC[C@@H](O)CF 7a_100000211359_100015614560 [0,1,0,0,0,0|2,0,0]=3 1927 B14R1.5 CCc1ccc(cc1)OC[C@@H](O)CO 34a_100000211359_100009815848 [0,1,0,0,0,0|1,0,0]=2 1928 B14R1.5 CCc1ccc(cc1)OC[C@@H](O)CO 7a_100000211359_100009815848 [0,1,0,0,0,0|1,0,0]=2 1929 B14R1.5 CCc1ccc(cc1)SCC(O)CC 62a_100011215824_100011218378 [0,1,0,0,0,0|2,1,0]=4 1930 B14R1.5 CCc1ccc(cc1)SCC(O)CC 62a_100011218378_100011215824 [0,1,0,0,0,0|2,1,0]=4 1931 B14R1.5 CCc1ccc(cc1)SCC(O)CO 62a_100011215824_100011219619 [0,1,0,0,0,0|1,1,0]=3 1932 B14R1.5 CCc1ccc(cc1)SCC(O)CO 62a_100011219619_100011215824 [0,1,0,0,0,0|1,1,0]=3 1933 B14R1.5 CCc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100011215824 [0,1,0,0,0,0|2,1,0]=4 1934 B14R1.5 CCc1ccc(cc1)SC[C@@H](C)CO 62a_100011215824_100000059175 [0,1,0,0,0,0|2,1,0]=4 1935 B14R1.5 CCc1ccc(cc1)SC[C@@H](O)CF 62a_100011215824_100015614560 [0,1,0,0,0,0|2,1,0]=4 1936 B14R1.5 CCc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100011215824 [0,1,0,0,0,0|2,1,0]=4 1937 B14R1.5 CCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100011215824 [0,1,0,0,0,0|1,1,0]=3 1938 B14R1.5 CCc1ccc(cc1)SC[C@@H](O)CO 62a_100011215824_100009815848 [0,1,0,0,0,0|1,1,0]=3 1939 B14R1.5 CCc1ccc(cn1)SCC(O)CO 62a_100009820025_100011219619 [0,1,0,0,0,0|2,1,0]=4 1940 B14R1.5 CCc1ccc(cn1)SCC(O)CO 62a_100011219619_100009820025 [0,1,0,0,0,0|2,1,0]=4 1941 B14R1.5 CCc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100009820025 [0,1,0,0,0,0|2,1,0]=4 1942 B14R1.5 CCc1ccc(cn1)SC[C@@H](O)CO 62a_100009820025_100009815848 [0,1,0,0,0,0|2,1,0]=4 1943 B14R1.5 CCc1ccc(nc1)SCC(O)CO 62a_100009843584_100011219619 [0,1,0,0,0,0|2,1,0]=4 1944 B14R1.5 CCc1ccc(nc1)SCC(O)CO 62a_100011219619_100009843584 [0,1,0,0,0,0|2,1,0]=4 1945 B14R1.5 CCc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100009843584 [0,1,0,0,0,0|2,1,0]=4 1946 B14R1.5 CCc1ccc(nc1)SC[C@@H](O)CO 62a_100009843584_100009815848 [0,1,0,0,0,0|2,1,0]=4 1947 B14R1.5 CNc1ccc(cc1)OCC(O)CO 34a_100000182112_100011219619 [0,1,0,0,0,0|1,0,0]=2 1948 B14R1.5 CNc1ccc(cc1)OC[C@@H](C)CO 34a_100000182112_100000059175 [0,1,0,0,0,0|2,0,0]=3 1949 B14R1.5 CNc1ccc(cc1)OC[C@@H](O)CF 34a_100000182112_100015614560 [0,1,0,0,0,0|2,0,0]=3 1950 B14R1.5 CNc1ccc(cc1)OC[C@@H](O)CO 34a_100000182112_100009815848 [0,1,0,0,0,0|1,0,0]=2 1951 B14R1.5 CNc1ccc(cc1)SCC(O)CO 62a_100000743151_100011219619 [0,1,0,0,0,0|1,1,0]=3 1952 B14R1.5 CNc1ccc(cc1)SCC(O)CO 62a_100011219619_100000743151 [0,1,0,0,0,0|1,1,0]=3 1953 B14R1.5 CNc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000743151 [0,1,0,0,0,0|2,1,0]=4 1954 B14R1.5 CNc1ccc(cc1)SC[C@@H](C)CO 62a_100000743151_100000059175 [0,1,0,0,0,0|2,1,0]=4 1955 B14R1.5 CNc1ccc(cc1)SC[C@@H](O)CF 62a_100000743151_100015614560 [0,1,0,0,0,0|2,1,0]=4 1956 B14R1.5 CNc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000743151 [0,1,0,0,0,0|2,1,0]=4 1957 B14R1.5 CNc1ccc(cc1)SC[C@@H](O)CO 62a_100000743151_100009815848 [0,1,0,0,0,0|1,1,0]=3 1958 B14R1.5 CNc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000743151 [0,1,0,0,0,0|1,1,0]=3 1959 B14R1.5 CNc1ccc(cn1)SCC(O)CO 62a_100000741341_100011219619 [0,1,0,0,0,0|2,1,0]=4 1960 B14R1.5 CNc1ccc(cn1)SCC(O)CO 62a_100011219619_100000741341 [0,1,0,0,0,0|2,1,0]=4 1961 B14R1.5 CNc1ccc(cn1)SC[C@@H](O)CO 62a_100000741341_100009815848 [0,1,0,0,0,0|2,1,0]=4 1962 B14R1.5 CNc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000741341 [0,1,0,0,0,0|2,1,0]=4 1963 B14R1.5 CNc1ccc(nc1)SCC(O)CO 62a_100000764248_100011219619 [0,1,0,0,0,0|2,1,0]=4 1964 B14R1.5 CNc1ccc(nc1)SCC(O)CO 62a_100011219619_100000764248 [0,1,0,0,0,0|2,1,0]=4 1965 B14R1.5 CNc1ccc(nc1)SC[C@@H](O)CO 62a_100000764248_100009815848 [0,1,0,0,0,0|2,1,0]=4 1966 B14R1.5 CNc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000764248 [0,1,0,0,0,0|2,1,0]=4 1967 B14R1.5 COc1ccc(cc1)NCC(O)CO 34a_100000184247_100011219619 [0,1,0,0,0,0|2,0,0]=3 1968 B14R1.5 COc1ccc(cc1)NC[C@@H](C)CO 34a_100000184247_100000059175 [0,1,0,0,0,0|3,0,0]=4 1969 B14R1.5 COc1ccc(cc1)NC[C@@H](O)CF 34a_100000184247_100015614560 [0,1,0,0,0,0|3,0,0]=4 1970 B14R1.5 COc1ccc(cc1)NC[C@@H](O)CO 34a_100000184247_100009815848 [0,1,0,0,0,0|2,0,0]=3 1971 B14R1.5 COc1ccc(cc1)OCC(O)CO 34a_100000210503_100011219619 [0,1,0,0,0,0|1,0,0]=2 1972 B14R1.5 COc1ccc(cc1)OC[C@@H](C)CO 34a_100000210503_100000059175 [0,1,0,0,0,0|2,0,0]=3 1973 B14R1.5 COc1ccc(cc1)OC[C@@H](O)CF 34a_100000210503_100015614560 [0,1,0,0,0,0|2,0,0]=3 1974 B14R1.5 COc1ccc(cc1)OC[C@@H](O)CO 34a_100000210503_100009815848 [0,1,0,0,0,0|1,0,0]=2 1975 B14R1.5 COc1ccc(cc1)SCC(O)CO 62a_100011219619_100000171711 [0,1,0,0,0,0|1,1,0]=3 1976 B14R1.5 COc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000171711 [0,1,0,0,0,0|2,1,0]=4 1977 B14R1.5 COc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000171711 [0,1,0,0,0,0|2,1,0]=4 1978 B14R1.5 COc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000171711 [0,1,0,0,0,0|1,1,0]=3 1979 B14R1.5 COc1ccc(cn1)OCC(O)CO 34a_100011934560_100011219619 [0,1,0,0,0,0|2,0,0]=3 1980 B14R1.5 COc1ccc(cn1)OC[C@@H](C)CO 34a_100011934560_100000059175 [0,1,0,0,0,0|3,0,0]=4 1981 B14R1.5 COc1ccc(cn1)OC[C@@H](O)CF 34a_100011934560_100015614560 [0,1,0,0,0,0|3,0,0]=4 1982 B14R1.5 COc1ccc(cn1)OC[C@@H](O)CO 34a_100011934560_100009815848 [0,1,0,0,0,0|2,0,0]=3 1983 B14R1.5 COc1ccc(cn1)SCC(O)CO 62a_100000047065_100011219619 [0,1,0,0,0,0|2,1,0]=4 1984 B14R1.5 COc1ccc(cn1)SCC(O)CO 62a_100011219619_100000047065 [0,1,0,0,0,0|2,1,0]=4 1985 B14R1.5 COc1ccc(cn1)SC[C@@H](O)CO 62a_100000047065_100009815848 [0,1,0,0,0,0|2,1,0]=4 1986 B14R1.5 COc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000047065 [0,1,0,0,0,0|2,1,0]=4 1987 B14R1.5 COc1ccc(nc1)OCC(O)CO 34a_100012002028_100011219619 [0,1,0,0,0,0|2,0,0]=3 1988 B14R1.5 COc1ccc(nc1)OC[C@@H](C)CO 34a_100012002028_100000059175 [0,1,0,0,0,0|3,0,0]=4 1989 B14R1.5 COc1ccc(nc1)OC[C@@H](O)CF 34a_100012002028_100015614560 [0,1,0,0,0,0|3,0,0]=4 1990 B14R1.5 COc1ccc(nc1)OC[C@@H](O)CO 34a_100012002028_100009815848 [0,1,0,0,0,0|2,0,0]=3 1991 B14R1.5 COc1ccc(nc1)SCC(O)CO 62a_100000755202_100011219619 [0,1,0,0,0,0|2,1,0]=4 1992 B14R1.5 COc1ccc(nc1)SCC(O)CO 62a_100011219619_100000744180 [0,1,0,0,0,0|2,1,0]=4 1993 B14R1.5 COc1ccc(nc1)SC[C@@H](O)CO 62a_100000755202_100009815848 [0,1,0,0,0,0|2,1,0]=4 1994 B14R1.5 COc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000744180 [0,1,0,0,0,0|2,1,0]=4 1995 B14R1.5 COc1ncc(cn1)OCC(O)CO 34a_100000099601_100011219619 [0,1,0,0,0,0|3,0,0]=4 1996 B14R1.5 COc1ncc(cn1)OCC(O)CO 7a_100000099601_100011219619 [0,1,0,0,0,0|3,0,0]=4 1997 B14R1.5 COc1ncc(cn1)OC[C@@H](O)CO 34a_100000099601_100009815848 [0,1,0,0,0,0|3,0,0]=4 1998 B14R1.5 COc1ncc(cn1)OC[C@@H](O)CO 7a_100000099601_100009815848 [0,1,0,0,0,0|3,0,0]=4 1999 B14R1.5 CSc1ccc(cc1)NCC(O)CO 34a_100000212337_100011219619 [0,1,0,0,0,0|2,0,0]=3 2000 B14R1.5 CSc1ccc(cc1)NC[C@@H](C)CO 34a_100000212337_100000059175 [0,1,0,0,0,0|3,0,0]=4 2001 B14R1.5 CSc1ccc(cc1)NC[C@@H](O)CF 34a_100000212337_100015614560 [0,1,0,0,0,0|3,0,0]=4 2002 B14R1.5 CSc1ccc(cc1)NC[C@@H](O)CO 34a_100000212337_100009815848 [0,1,0,0,0,0|2,0,0]=3 2003 B14R1.5 CSc1ccc(cc1)OCC(O)CO 34a_100000211864_100011219619 [0,1,0,0,0,0|1,0,0]=2 2004 B14R1.5 CSc1ccc(cc1)OC[C@@H](C)CO 34a_100000211864_100000059175 [0,1,0,0,0,0|2,0,0]=3 2005 B14R1.5 CSc1ccc(cc1)OC[C@@H](O)CF 34a_100000211864_100015614560 [0,1,0,0,0,0|2,0,0]=3 2006 B14R1.5 CSc1ccc(cc1)OC[C@@H](O)CO 34a_100000211864_100009815848 [0,1,0,0,0,0|1,0,0]=2 2007 B14R1.5 CSc1ccc(cc1)SCC(O)CO 62a_100011219619_100011263217 [0,1,0,0,0,0|1,1,0]=3 2008 B14R1.5 CSc1ccc(cc1)SCC(O)CO 62a_100011263217_100011219619 [0,1,0,0,0,0|1,1,0]=3 2009 B14R1.5 CSc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100011263217 [0,1,0,0,0,0|2,1,0]=4 2010 B14R1.5 CSc1ccc(cc1)SC[C@@H](C)CO 62a_100011263217_100000059175 [0,1,0,0,0,0|2,1,0]=4 2011 B14R1.5 CSc1ccc(cc1)SC[C@@H](O)CF 62a_100011263217_100015614560 [0,1,0,0,0,0|2,1,0]=4 2012 B14R1.5 CSc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100011263217 [0,1,0,0,0,0|2,1,0]=4 2013 B14R1.5 CSc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100011263217 [0,1,0,0,0,0|1,1,0]=3 2014 B14R1.5 CSc1ccc(cc1)SC[C@@H](O)CO 62a_100011263217_100009815848 [0,1,0,0,0,0|1,1,0]=3 2015 B14R1.5 CSc1ccc(cn1)SCC(O)CO 62a_100011219619_100011408404 [0,1,0,0,0,0|2,1,0]=4 2016 B14R1.5 CSc1ccc(cn1)SCC(O)CO 62a_100011408404_100011219619 [0,1,0,0,0,0|2,1,0]=4 2017 B14R1.5 CSc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100011408404 [0,1,0,0,0,0|2,1,0]=4 2018 B14R1.5 CSc1ccc(cn1)SC[C@@H](O)CO 62a_100011408404_100009815848 [0,1,0,0,0,0|2,1,0]=4 2019 B14R1.5 CSc1ccc(nc1)NC[C@H](O)CO 27a_100020644852_100009820866 [0,1,0,0,0,0|3,0,0]=4 2020 B14R1.5 CSc1ccc(nc1)SCC(O)CO 62a_100009820866_100011219619 [0,1,0,0,0,0|2,1,0]=4 2021 B14R1.5 CSc1ccc(nc1)SCC(O)CO 62a_100011219619_100009820866 [0,1,0,0,0,0|2,1,0]=4 2022 B14R1.5 CSc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100009820866 [0,1,0,0,0,0|2,1,0]=4 2023 B14R1.5 CSc1ccc(nc1)SC[C@@H](O)CO 62a_100009820866_100009815848 [0,1,0,0,0,0|2,1,0]=4 2024 B14R1.5 CSc1ncc(cn1)OCC(O)CO 34a_100000075549_100011219619 [0,1,0,0,0,0|3,0,0]=4 2025 B14R1.5 CSc1ncc(cn1)OCC(O)CO 7a_100000075549_100011219619 [0,1,0,0,0,0|3,0,0]=4 2026 B14R1.5 CSc1ncc(cn1)OC[C@@H](O)CO 34a_100000075549_100009815848 [0,1,0,0,0,0|3,0,0]=4 2027 B14R1.5 CSc1ncc(cn1)OC[C@@H](O)CO 7a_100000075549_100009815848 [0,1,0,0,0,0|3,0,0]=4 2028 B14R1.5 C[C@@H](CO)CNc1ccc(cc1)C#N 34a_100000185469_100000059175 [0,1,0,0,0,0|3,0,0]=4 2029 B14R1.5 C[C@@H](CO)CNc1ccc(cc1)CO 2230a_100011215238_100000059175 [0,1,0,0,0,0|3,0,0]=4 2030 B14R1.5 C[C@@H](CO)CNc1ccc(cc1)CO 34a_100011215238_100000059175 [0,1,0,0,0,0|3,0,0]=4 2031 B14R1.5 C[C@@H](CO)COc1ccc(cc1)C#N 34a_100000210344_100000059175 [0,1,0,0,0,0|2,0,0]=3 2032 B14R1.5 C[C@@H](CO)COc1ccc(cc1)C#N 7a_100000210344_100000059175 [0,1,0,0,0,0|2,0,0]=3 2033 B14R1.5 C[C@@H](CO)COc1ccc(cc1)CN 34a_100000185549_100000059175 [0,1,0,0,0,0|2,0,0]=3 2034 B14R1.5 C[C@@H](CO)COc1ccc(cc1)CO 34a_100000211755_100000059175 [0,1,0,0,0,0|2,0,0]=3 2035 B14R1.5 C[C@@H](CO)COc1ccc(cn1)CN 34a_100000757128_100000059175 [0,1,0,0,0,0|3,0,0]=4 2036 B14R1.5 C[C@@H](CO)COc1ccc(nc1)C#N 34a_100011934750_100000059175 [0,1,0,0,0,0|3,0,0]=4 2037 B14R1.5 C[C@@H](CO)COc1ccc(nc1)C#N 7a_100011934750_100000059175 [0,1,0,0,0,0|3,0,0]=4 2038 B14R1.5 C[C@@H](CO)COc1ccc(nc1)CN 34a_100020605196_100000059175 [0,1,0,0,0,0|3,0,0]=4 2039 B14R1.5 C[C@@H](CO)COc1ccc(nc1)CO 34a_103436540053_100000059175 [0,1,0,0,0,0|3,0,0]=4 2040 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)C#N 62a_100000059175_100000184291 [0,1,0,0,0,0|2,1,0]=4 2041 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)C=O 62a_100000059175_100000188517 [0,1,0,0,0,0|2,1,0]=4 2042 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)C=O 62a_100000188517_100000059175 [0,1,0,0,0,0|2,1,0]=4 2043 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)CF 62a_100000059175_100010268989 [0,1,0,0,0,0|1,2,0]=4 2044 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)CF 62a_100010268989_100000059175 [0,1,0,0,0,0|1,2,0]=4 2045 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)CN 62a_100000059175_100016989417 [0,1,0,0,0,0|2,1,0]=4 2046 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)CN 62a_100016989417_100000059175 [0,1,0,0,0,0|2,1,0]=4 2047 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)CO 62a_100000059175_100000690907 [0,1,0,0,0,0|2,1,0]=4 2048 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)CO 62a_100000690907_100000059175 [0,1,0,0,0,0|2,1,0]=4 2049 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)NN 62a_100000059175_100016988836 [0,1,0,0,0,0|2,1,0]=4 2050 B14R1.5 C[C@@H](CO)CSc1ccc(cc1)NN 62a_100016988836_100000059175 [0,1,0,0,0,0|2,1,0]=4 2051 B14R1.5 N#Cc1ccc(cc1)NCC(O)CO 34a_100000185469_100011219619 [0,1,0,0,0,0|2,0,0]=3 2052 B14R1.5 N#Cc1ccc(cc1)NC[C@@H](O)CF 34a_100000185469_100015614560 [0,1,0,0,0,0|3,0,0]=4 2053 B14R1.5 N#Cc1ccc(cc1)NC[C@@H](O)CO 34a_100000185469_100009815848 [0,1,0,0,0,0|2,0,0]=3 2054 B14R1.5 N#Cc1ccc(cc1)OCC(O)CO 34a_100000210344_100011219619 [0,1,0,0,0,0|1,0,0]=2 2055 B14R1.5 N#Cc1ccc(cc1)OCC(O)CO 7a_100000210344_100011219619 [0,1,0,0,0,0|1,0,0]=2 2056 B14R1.5 N#Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000210344_100015614560 [0,1,0,0,0,0|2,0,0]=3 2057 B14R1.5 N#Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000210344_100015614560 [0,1,0,0,0,0|2,0,0]=3 2058 B14R1.5 N#Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210344_100009815848 [0,1,0,0,0,0|1,0,0]=2 2059 B14R1.5 N#Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210344_100009815848 [0,1,0,0,0,0|1,0,0]=2 2060 B14R1.5 N#Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000184291 [0,1,0,0,0,0|1,1,0]=3 2061 B14R1.5 N#Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000184291 [0,1,0,0,0,0|2,1,0]=4 2062 B14R1.5 N#Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000184291 [0,1,0,0,0,0|1,1,0]=3 2063 B14R1.5 N#Cc1ccc(cn1)OCC(O)CO 34a_100011934750_100011219619 [0,1,0,0,0,0|2,0,0]=3 2064 B14R1.5 N#Cc1ccc(cn1)OCC(O)CO 7a_100011934750_100011219619 [0,1,0,0,0,0|2,0,0]=3 2065 B14R1.5 N#Cc1ccc(cn1)OC[C@@H](O)CF 34a_100011934750_100015614560 [0,1,0,0,0,0|3,0,0]=4 2066 B14R1.5 N#Cc1ccc(cn1)OC[C@@H](O)CF 7a_100011934750_100015614560 [0,1,0,0,0,0|3,0,0]=4 2067 B14R1.5 N#Cc1ccc(cn1)OC[C@@H](O)CO 34a_100011934750_100009815848 [0,1,0,0,0,0|2,0,0]=3 2068 B14R1.5 N#Cc1ccc(cn1)OC[C@@H](O)CO 7a_100011934750_100009815848 [0,1,0,0,0,0|2,0,0]=3 2069 B14R1.5 N#Cc1ccc(cn1)SCC(O)CO 62a_100011219619_100000760455 [0,1,0,0,0,0|2,1,0]=4 2070 B14R1.5 N#Cc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000760455 [0,1,0,0,0,0|2,1,0]=4 2071 B14R1.5 N#Cc1ccc(nc1)NC[C@H](O)CO 27a_100020644852_100000241038 [0,1,0,0,0,0|3,0,0]=4 2072 B14R1.5 N#Cc1ccc(nc1)SCC(O)CO 62a_100011219619_100000241038 [0,1,0,0,0,0|2,1,0]=4 2073 B14R1.5 N#Cc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000241038 [0,1,0,0,0,0|2,1,0]=4 2074 B14R1.5 N#Cc1ncc(cn1)OCC(O)CO 7a_100000707606_100011219619 [0,1,0,0,0,0|3,0,0]=4 2075 B14R1.5 N#Cc1ncc(cn1)OC[C@@H](O)CO 7a_100000707606_100009815848 [0,1,0,0,0,0|3,0,0]=4 2076 B14R1.5 NCc1ccc(cc1)OCC(O)CO 34a_100000185549_100011219619 [0,1,0,0,0,0|1,0,0]=2 2077 B14R1.5 NCc1ccc(cc1)OC[C@@H](O)CF 34a_100000185549_100015614560 [0,1,0,0,0,0|2,0,0]=3 2078 B14R1.5 NCc1ccc(cc1)OC[C@@H](O)CO 34a_100000185549_100009815848 [0,1,0,0,0,0|1,0,0]=2 2079 B14R1.5 NCc1ccc(cc1)SCC(O)CO 62a_100011219619_100016989417 [0,1,0,0,0,0|1,1,0]=3 2080 B14R1.5 NCc1ccc(cc1)SCC(O)CO 62a_100016989417_100011219619 [0,1,0,0,0,0|1,1,0]=3 2081 B14R1.5 NCc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100016989417 [0,1,0,0,0,0|2,1,0]=4 2082 B14R1.5 NCc1ccc(cc1)SC[C@@H](O)CF 62a_100016989417_100015614560 [0,1,0,0,0,0|2,1,0]=4 2083 B14R1.5 NCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100016989417 [0,1,0,0,0,0|1,1,0]=3 2084 B14R1.5 NCc1ccc(cc1)SC[C@@H](O)CO 62a_100016989417_100009815848 [0,1,0,0,0,0|1,1,0]=3 2085 B14R1.5 NCc1ccc(cn1)OCC(O)CO 34a_100020605196_100011219619 [0,1,0,0,0,0|2,0,0]=3 2086 B14R1.5 NCc1ccc(cn1)OC[C@@H](O)CF 34a_100020605196_100015614560 [0,1,0,0,0,0|3,0,0]=4 2087 B14R1.5 NCc1ccc(cn1)OC[C@@H](O)CO 34a_100020605196_100009815848 [0,1,0,0,0,0|2,0,0]=3 2088 B14R1.5 NCc1ccc(cn1)SCC(O)CO 62a_100011219619_100015188789 [0,1,0,0,0,0|2,1,0]=4 2089 B14R1.5 NCc1ccc(cn1)SCC(O)CO 62a_100015188789_100011219619 [0,1,0,0,0,0|2,1,0]=4 2090 B14R1.5 NCc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100015188789 [0,1,0,0,0,0|2,1,0]=4 2091 B14R1.5 NCc1ccc(cn1)SC[C@@H](O)CO 62a_100015188789_100009815848 [0,1,0,0,0,0|2,1,0]=4 2092 B14R1.5 NCc1ccc(nc1)OCC(O)CO 34a_100000757128_100011219619 [0,1,0,0,0,0|2,0,0]=3 2093 B14R1.5 NCc1ccc(nc1)OC[C@@H](O)CF 34a_100000757128_100015614560 [0,1,0,0,0,0|3,0,0]=4 2094 B14R1.5 NCc1ccc(nc1)OC[C@@H](O)CO 34a_100000757128_100009815848 [0,1,0,0,0,0|2,0,0]=3 2095 B14R1.5 NCc1ccc(nc1)SCC(O)CO 62a_100000735879_100011219619 [0,1,0,0,0,0|2,1,0]=4 2096 B14R1.5 NCc1ccc(nc1)SCC(O)CO 62a_100011219619_100000735879 [0,1,0,0,0,0|2,1,0]=4 2097 B14R1.5 NCc1ccc(nc1)SC[C@@H](O)CO 62a_100000735879_100009815848 [0,1,0,0,0,0|2,1,0]=4 2098 B14R1.5 NCc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000735879 [0,1,0,0,0,0|2,1,0]=4 2099 B14R1.5 NNc1ccc(cc1)SCC(O)CO 62a_100011219619_100016988836 [0,1,0,0,0,0|1,1,0]=3 2100 B14R1.5 NNc1ccc(cc1)SCC(O)CO 62a_100016988836_100011219619 [0,1,0,0,0,0|1,1,0]=3 2101 B14R1.5 NNc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100016988836 [0,1,0,0,0,0|2,1,0]=4 2102 B14R1.5 NNc1ccc(cc1)SC[C@@H](O)CF 62a_100016988836_100015614560 [0,1,0,0,0,0|2,1,0]=4 2103 B14R1.5 NNc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100016988836 [0,1,0,0,0,0|1,1,0]=3 2104 B14R1.5 NNc1ccc(cc1)SC[C@@H](O)CO 62a_100016988836_100009815848 [0,1,0,0,0,0|1,1,0]=3 2105 B14R1.5 NNc1ccc(cn1)SCC(O)CO 62a_100000750576_100011219619 [0,1,0,0,0,0|2,1,0]=4 2106 B14R1.5 NNc1ccc(cn1)SCC(O)CO 62a_100011219619_100000750576 [0,1,0,0,0,0|2,1,0]=4 2107 B14R1.5 NNc1ccc(cn1)SC[C@@H](O)CO 62a_100000750576_100009815848 [0,1,0,0,0,0|2,1,0]=4 2108 B14R1.5 NNc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000750576 [0,1,0,0,0,0|2,1,0]=4 2109 B14R1.5 NNc1ccc(nc1)SCC(O)CO 62a_100000755011_100011219619 [0,1,0,0,0,0|2,1,0]=4 2110 B14R1.5 NNc1ccc(nc1)SCC(O)CO 62a_100011219619_100000119030 [0,1,0,0,0,0|2,1,0]=4 2111 B14R1.5 NNc1ccc(nc1)SC[C@@H](O)CO 62a_100000755011_100009815848 [0,1,0,0,0,0|2,1,0]=4 2112 B14R1.5 NNc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000119030 [0,1,0,0,0,0|2,1,0]=4 2113 B14R1.5 O=Cc1ccc(cc1)SCC(O)CO 62a_100000188517_100011219619 [0,1,0,0,0,0|1,1,0]=3 2114 B14R1.5 O=Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000188517 [0,1,0,0,0,0|1,1,0]=3 2115 B14R1.5 O=Cc1ccc(cc1)SC[C@@H](O)CF 62a_100000188517_100015614560 [0,1,0,0,0,0|2,1,0]=4 2116 B14R1.5 O=Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000188517 [0,1,0,0,0,0|2,1,0]=4 2117 B14R1.5 O=Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000188517_100009815848 [0,1,0,0,0,0|1,1,0]=3 2118 B14R1.5 O=Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000188517 [0,1,0,0,0,0|1,1,0]=3 2119 B14R1.5 O=Cc1ccc(cn1)SCC(O)CO 62a_100000754260_100011219619 [0,1,0,0,0,0|2,1,0]=4 2120 B14R1.5 O=Cc1ccc(cn1)SCC(O)CO 62a_100011219619_100000754260 [0,1,0,0,0,0|2,1,0]=4 2121 B14R1.5 O=Cc1ccc(cn1)SC[C@@H](O)CO 62a_100000754260_100009815848 [0,1,0,0,0,0|2,1,0]=4 2122 B14R1.5 O=Cc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000754260 [0,1,0,0,0,0|2,1,0]=4 2123 B14R1.5 O=Cc1ccc(nc1)SCC(O)CO 62a_100000766901_100011219619 [0,1,0,0,0,0|2,1,0]=4 2124 B14R1.5 O=Cc1ccc(nc1)SCC(O)CO 62a_100011219619_100000766901 [0,1,0,0,0,0|2,1,0]=4 2125 B14R1.5 O=Cc1ccc(nc1)SC[C@@H](O)CO 62a_100000766901_100009815848 [0,1,0,0,0,0|2,1,0]=4 2126 B14R1.5 O=Cc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000766901 [0,1,0,0,0,0|2,1,0]=4 2127 B14R1.5 OCC(O)CSc1ccc(cc1)CF 62a_100010268989_100011219619 [0,1,0,0,0,0|0,2,0]=3 2128 B14R1.5 OCC(O)CSc1ccc(cc1)CF 62a_100011219619_100010268989 [0,1,0,0,0,0|0,2,0]=3 2129 B14R1.5 OC[C@H](O)CSc1ccc(cc1)CF 62a_100009815848_100010268989 [0,1,0,0,0,0|0,2,0]=3 2130 B14R1.5 OC[C@H](O)CSc1ccc(cc1)CF 62a_100010268989_100009815848 [0,1,0,0,0,0|0,2,0]=3 2131 B14R1.5 OCc1ccc(cc1)NCC(O)CO 2230a_100011215238_100011219619 [0,1,0,0,0,0|2,0,0]=3 2132 B14R1.5 OCc1ccc(cc1)NCC(O)CO 34a_100011215238_100011219619 [0,1,0,0,0,0|2,0,0]=3 2133 B14R1.5 OCc1ccc(cc1)NC[C@@H](O)CF 2230a_100011215238_100015614560 [0,1,0,0,0,0|3,0,0]=4 2134 B14R1.5 OCc1ccc(cc1)NC[C@@H](O)CF 34a_100011215238_100015614560 [0,1,0,0,0,0|3,0,0]=4 2135 B14R1.5 OCc1ccc(cc1)NC[C@@H](O)CO 2230a_100011215238_100009815848 [0,1,0,0,0,0|2,0,0]=3 2136 B14R1.5 OCc1ccc(cc1)NC[C@@H](O)CO 34a_100011215238_100009815848 [0,1,0,0,0,0|2,0,0]=3 2137 B14R1.5 OCc1ccc(cc1)OCC(O)CO 34a_100000211755_100011219619 [0,1,0,0,0,0|1,0,0]=2 2138 B14R1.5 OCc1ccc(cc1)OC[C@@H](O)CF 34a_100000211755_100015614560 [0,1,0,0,0,0|2,0,0]=3 2139 B14R1.5 OCc1ccc(cc1)OC[C@@H](O)CO 34a_100000211755_100009815848 [0,1,0,0,0,0|1,0,0]=2 2140 B14R1.5 OCc1ccc(cc1)SCC(O)CO 62a_100000690907_100011219619 [0,1,0,0,0,0|1,1,0]=3 2141 B14R1.5 OCc1ccc(cc1)SCC(O)CO 62a_100011219619_100000690907 [0,1,0,0,0,0|1,1,0]=3 2142 B14R1.5 OCc1ccc(cc1)SC[C@@H](O)CF 62a_100000690907_100015614560 [0,1,0,0,0,0|2,1,0]=4 2143 B14R1.5 OCc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000690907 [0,1,0,0,0,0|2,1,0]=4 2144 B14R1.5 OCc1ccc(cc1)SC[C@@H](O)CO 62a_100000690907_100009815848 [0,1,0,0,0,0|1,1,0]=3 2145 B14R1.5 OCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000690907 [0,1,0,0,0,0|1,1,0]=3 2146 B14R1.5 OCc1ccc(cn1)OCC(O)CO 34a_103436540053_100011219619 [0,1,0,0,0,0|2,0,0]=3 2147 B14R1.5 OCc1ccc(cn1)OC[C@@H](O)CF 34a_103436540053_100015614560 [0,1,0,0,0,0|3,0,0]=4 2148 B14R1.5 OCc1ccc(cn1)OC[C@@H](O)CO 34a_103436540053_100009815848 [0,1,0,0,0,0|2,0,0]=3 2149 B14R1.5 OCc1ccc(cn1)SCC(O)CO 62a_100000754261_100011219619 [0,1,0,0,0,0|2,1,0]=4 2150 B14R1.5 OCc1ccc(cn1)SCC(O)CO 62a_100011219619_100000754261 [0,1,0,0,0,0|2,1,0]=4 2151 B14R1.5 OCc1ccc(cn1)SC[C@@H](O)CO 62a_100000754261_100009815848 [0,1,0,0,0,0|2,1,0]=4 2152 B14R1.5 OCc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000754261 [0,1,0,0,0,0|2,1,0]=4 2153 B14R1.5 OCc1ccc(nc1)SCC(O)CO 62a_100009816760_100011219619 [0,1,0,0,0,0|2,1,0]=4 2154 B14R1.5 OCc1ccc(nc1)SCC(O)CO 62a_100011219619_100009816760 [0,1,0,0,0,0|2,1,0]=4 2155 B14R1.5 OCc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100009816760 [0,1,0,0,0,0|2,1,0]=4 2156 B14R1.5 OCc1ccc(nc1)SC[C@@H](O)CO 62a_100009816760_100009815848 [0,1,0,0,0,0|2,1,0]=4 2157 B14R1.5 O[C@@H](CF)CSc1ccc(cc1)CF 62a_100010268989_100015614560 [0,1,0,0,0,0|1,2,0]=4 2158 B14R1.5 O[C@@H](CF)CSc1ccc(cc1)CF 62a_100015614560_100010268989 [0,1,0,0,0,0|1,2,0]=4 2159 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000730141 [0,1,0,0,0,0|2,0,1]=4 2160 B14R1.10 C=CC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000730141 [0,1,0,0,0,0|2,0,1]=4 2161 B14R1.10 CC(CO)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100012180447 [0,1,0,0,0,0|3,0,0]=4 2162 B14R1.10 CC(CO)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100012180447 [0,1,0,0,0,0|3,0,0]=4 2163 B14R1.10 CC(CO)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100012180447 [0,1,0,0,0,0|3,0,0]=4 2164 B14R1.10 CC(CO)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100012180447 [0,1,0,0,0,0|3,0,0]=4 2165 B14R1.10 CC(CO)SC(C)c1ccc(cc1)Cl 62a_100012180447_100000684792 [0,1,0,0,0,0|3,0,0]=4 2166 B14R1.10 CC(N[C@H](C)CO)c1ccc(cc1)Cl 2230a_100000737577_100000684792 [0,1,0,0,0,0|3,0,0]=4 2167 B14R1.10 CC(N[C@H](C)CO)c1ccc(cc1)Cl 269862a_100000737577_100000185797 [0,1,0,0,0,0|3,0,0]=4 2168 B14R1.10 CC(S[C@H](C)CO)c1ccc(cc1)Cl 62a_100000684792_100016084084 [0,1,0,0,0,0|3,0,0]=4 2169 B14R1.10 CC(S[C@H](C)CO)c1ccc(cc1)Cl 62a_100016084084_100000684792 [0,1,0,0,0,0|3,0,0]=4 2170 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748023 [0,1,0,0,0,0|3,0,0]=4 2171 B14R1.10 CCC(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000748023 [0,1,0,0,0,0|3,0,0]=4 2172 B14R1.10 CCC(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000748023 [0,1,0,0,0,0|3,0,0]=4 2173 B14R1.10 CCC(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000748023 [0,1,0,0,0,0|3,0,0]=4 2174 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218378 [0,1,0,0,0,0|2,1,0]=4 2175 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100011218378 [0,1,0,0,0,0|3,0,0]=4 2176 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218378 [0,1,0,0,0,0|2,0,0]=3 2177 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218378 [0,1,0,0,0,0|2,1,0]=4 2178 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218378 [0,1,0,0,0,0|2,1,0]=4 2179 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218378 [0,1,0,0,0,0|3,0,0]=4 2180 B14R1.10 CCC(O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100011218378 [0,1,0,0,0,0|2,1,0]=4 2181 B14R1.10 CCC(O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100011218378 [0,1,0,0,0,0|2,1,0]=4 2182 B14R1.10 CCC(O)CN(C)c1ccc(cc1)Br 34a_100000219623_100011218378 [0,1,0,0,0,0|2,1,0]=4 2183 B14R1.10 CCC(O)CN(C)c1ccc(cc1)C 2230a_100000219977_100011218378 [0,1,0,0,0,0|3,0,0]=4 2184 B14R1.10 CCC(O)CN(C)c1ccc(cc1)C 269982a_100000219977_100011218378 [0,1,0,0,0,0|3,0,0]=4 2185 B14R1.10 CCC(O)CN(C)c1ccc(cc1)C 34a_100000219977_100011218378 [0,1,0,0,0,0|3,0,0]=4 2186 B14R1.10 CCC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218378 [0,1,0,0,0,0|2,0,0]=3 2187 B14R1.10 CCC(O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218378 [0,1,0,0,0,0|2,0,0]=3 2188 B14R1.10 CCC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011218378 [0,1,0,0,0,0|2,0,0]=3 2189 B14R1.10 CCC(O)CN(C)c1ccc(cc1)F 2230a_100000219829_100011218378 [0,1,0,0,0,0|2,1,0]=4 2190 B14R1.10 CCC(O)CN(C)c1ccc(cc1)F 269982a_100000219829_100011218378 [0,1,0,0,0,0|2,1,0]=4 2191 B14R1.10 CCC(O)CN(C)c1ccc(cc1)F 34a_100000219829_100011218378 [0,1,0,0,0,0|2,1,0]=4 2192 B14R1.10 CCC(O)CN(C)c1ccc(cc1)I 2230a_100000743151_100011218378 [0,1,0,0,0,0|2,1,0]=4 2193 B14R1.10 CCC(O)CN(C)c1ccc(cc1)I 269982a_100000743151_100011218378 [0,1,0,0,0,0|2,1,0]=4 2194 B14R1.10 CCC(O)CN(C)c1ccc(cc1)I 34a_100000743151_100011218378 [0,1,0,0,0,0|2,1,0]=4 2195 B14R1.10 CCC(O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011218378 [0,1,0,0,0,0|3,0,0]=4 2196 B14R1.10 CCC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011218378 [0,1,0,0,0,0|3,0,0]=4 2197 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009816398 [0,1,0,0,0,0|3,0,0]=4 2198 B14R1.10 CC[C@H](C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009816398 [0,1,0,0,0,0|3,0,0]=4 2199 B14R1.10 CC[C@H](C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009816398 [0,1,0,0,0,0|3,0,0]=4 2200 B14R1.10 CC[C@H](C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009816398 [0,1,0,0,0,0|3,0,0]=4 2201 B14R1.10 CN(CC(O)CO)c1ccc(cc1)Br 2230a_100000219623_100011219619 [0,1,0,0,0,0|1,1,0]=3 2202 B14R1.10 CN(CC(O)CO)c1ccc(cc1)Br 34a_100000219623_100011219619 [0,1,0,0,0,0|1,1,0]=3 2203 B14R1.10 CN(CC(O)CO)c1ccc(cc1)Cl 2230a_100020629279_100011219619 [0,1,0,0,0,0|1,0,0]=2 2204 B14R1.10 CN(CC(O)CO)c1ccc(cc1)Cl 34a_100020629279_100011219619 [0,1,0,0,0,0|1,0,0]=2 2205 B14R1.10 CN(CC(O)CO)c1ccc(cc1)F 2230a_100000219829_100011219619 [0,1,0,0,0,0|1,1,0]=3 2206 B14R1.10 CN(CC(O)CO)c1ccc(cc1)F 34a_100000219829_100011219619 [0,1,0,0,0,0|1,1,0]=3 2207 B14R1.10 CN(CC(O)CO)c1ccc(cc1)I 2230a_100000743151_100011219619 [0,1,0,0,0,0|1,1,0]=3 2208 B14R1.10 CN(CC(O)CO)c1ccc(cc1)I 34a_100000743151_100011219619 [0,1,0,0,0,0|1,1,0]=3 2209 B14R1.10 CN(CC(O)CO)c1ccc(cc1)O 34a_100000182112_100011219619 [0,1,0,0,0,0|2,0,0]=3 2210 B14R1.10 CN(CC(O)CO)c1ccc(cn1)Br 27a_100011216503_100000686858 [0,1,0,0,0,0|2,1,0]=4 2211 B14R1.10 CN(CC(O)CO)c1ncc(cn1)Cl 27a_100011216503_100011356929 [0,1,0,0,0,0|3,0,0]=4 2212 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)Br 2230a_100000219623_100015614560 [0,1,0,0,0,0|2,1,0]=4 2213 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)Br 34a_100000219623_100015614560 [0,1,0,0,0,0|2,1,0]=4 2214 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)Cl 2230a_100020629279_100015614560 [0,1,0,0,0,0|2,0,0]=3 2215 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)Cl 34a_100020629279_100015614560 [0,1,0,0,0,0|2,0,0]=3 2216 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)F 2230a_100000219829_100015614560 [0,1,0,0,0,0|2,1,0]=4 2217 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)F 34a_100000219829_100015614560 [0,1,0,0,0,0|2,1,0]=4 2218 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)I 2230a_100000743151_100015614560 [0,1,0,0,0,0|2,1,0]=4 2219 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)I 34a_100000743151_100015614560 [0,1,0,0,0,0|2,1,0]=4 2220 B14R1.10 CN(C[C@@H](O)CF)c1ccc(cc1)O 34a_100000182112_100015614560 [0,1,0,0,0,0|3,0,0]=4 2221 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)Br 2230a_100000219623_100009815848 [0,1,0,0,0,0|1,1,0]=3 2222 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)Br 34a_100000219623_100009815848 [0,1,0,0,0,0|1,1,0]=3 2223 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)Cl 2230a_100020629279_100009815848 [0,1,0,0,0,0|1,0,0]=2 2224 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)Cl 34a_100020629279_100009815848 [0,1,0,0,0,0|1,0,0]=2 2225 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)F 2230a_100000219829_100009815848 [0,1,0,0,0,0|1,1,0]=3 2226 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)F 34a_100000219829_100009815848 [0,1,0,0,0,0|1,1,0]=3 2227 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)I 2230a_100000743151_100009815848 [0,1,0,0,0,0|1,1,0]=3 2228 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)I 34a_100000743151_100009815848 [0,1,0,0,0,0|1,1,0]=3 2229 B14R1.10 CN(C[C@@H](O)CO)c1ccc(cc1)O 34a_100000182112_100009815848 [0,1,0,0,0,0|2,0,0]=3 2230 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000059175 [0,1,0,0,0,0|2,1,0]=4 2231 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000059175 [0,1,0,0,0,0|2,0,0]=3 2232 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000059175 [0,1,0,0,0,0|2,1,0]=4 2233 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000059175 [0,1,0,0,0,0|2,1,0]=4 2234 B14R1.10 C[C@@H](CO)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000059175 [0,1,0,0,0,0|3,0,0]=4 2235 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000059175 [0,1,0,0,0,0|2,1,0]=4 2236 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000059175 [0,1,0,0,0,0|2,1,0]=4 2237 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)Br 34a_100000219623_100000059175 [0,1,0,0,0,0|2,1,0]=4 2238 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000059175 [0,1,0,0,0,0|2,0,0]=3 2239 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000059175 [0,1,0,0,0,0|2,0,0]=3 2240 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000059175 [0,1,0,0,0,0|2,0,0]=3 2241 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)F 2230a_100000219829_100000059175 [0,1,0,0,0,0|2,1,0]=4 2242 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)F 269982a_100000219829_100000059175 [0,1,0,0,0,0|2,1,0]=4 2243 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)F 34a_100000219829_100000059175 [0,1,0,0,0,0|2,1,0]=4 2244 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)I 2230a_100000743151_100000059175 [0,1,0,0,0,0|2,1,0]=4 2245 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)I 269982a_100000743151_100000059175 [0,1,0,0,0,0|2,1,0]=4 2246 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)I 34a_100000743151_100000059175 [0,1,0,0,0,0|2,1,0]=4 2247 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)O 269982a_100000182112_100000059175 [0,1,0,0,0,0|3,0,0]=4 2248 B14R1.10 C[C@@H](CO)CN(C)c1ccc(cc1)O 34a_100000182112_100000059175 [0,1,0,0,0,0|3,0,0]=4 2249 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)Cl 240690a_100000737577_100000210187 [0,1,0,0,0,0|3,0,0]=4 2250 B14R1.10 C[C@H](CO)NC(=O)c1ccc(cc1)Cl 527a_100000737577_100000210187 [0,1,0,0,0,0|3,0,0]=4 2251 B14R1.10 Cc1ccc(cc1)C(=O)C[C@@H](C)CO 1458a_100000188618_100000059175 [0,1,0,0,0,0|3,0,0]=4 2252 B14R1.10 Cc1ccc(cc1)N(C)CC(O)CO 2230a_100000219977_100011219619 [0,1,0,0,0,0|2,0,0]=3 2253 B14R1.10 Cc1ccc(cc1)N(C)CC(O)CO 34a_100000219977_100011219619 [0,1,0,0,0,0|2,0,0]=3 2254 B14R1.10 Cc1ccc(cc1)N(C)C[C@@H](C)CO 2230a_100000219977_100000059175 [0,1,0,0,0,0|3,0,0]=4 2255 B14R1.10 Cc1ccc(cc1)N(C)C[C@@H](C)CO 269982a_100000219977_100000059175 [0,1,0,0,0,0|3,0,0]=4 2256 B14R1.10 Cc1ccc(cc1)N(C)C[C@@H](C)CO 34a_100000219977_100000059175 [0,1,0,0,0,0|3,0,0]=4 2257 B14R1.10 Cc1ccc(cc1)N(C)C[C@@H](O)CF 2230a_100000219977_100015614560 [0,1,0,0,0,0|3,0,0]=4 2258 B14R1.10 Cc1ccc(cc1)N(C)C[C@@H](O)CF 34a_100000219977_100015614560 [0,1,0,0,0,0|3,0,0]=4 2259 B14R1.10 Cc1ccc(cc1)N(C)C[C@@H](O)CO 2230a_100000219977_100009815848 [0,1,0,0,0,0|2,0,0]=3 2260 B14R1.10 Cc1ccc(cc1)N(C)C[C@@H](O)CO 34a_100000219977_100009815848 [0,1,0,0,0,0|2,0,0]=3 2261 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)Cl 1458a_100000210174_100000211071 [0,1,0,0,0,0|1,0,2]=4 2262 B14R1.10 O=C(CO)CC(O)c1ccc(cc1)Cl 1458a_100000210174_200011996143 [0,1,0,0,0,0|1,0,2]=4 2263 B14R1.134 CC(CO)N(C)Cc1ccc(cc1)Cl 2230a_100000184517_100012180447 [0,1,0,0,0,0|3,0,0]=4 2264 B14R1.134 CC(CO)N(C)Cc1ccc(cc1)Cl 2230a_100000693034_100000694040 [0,1,0,0,0,0|3,0,0]=4 2265 B14R1.134 CC(CO)N(C)Cc1ccc(cc1)Cl 269982a_100000693034_100000187161 [0,1,0,0,0,0|3,0,0]=4 2266 B14R1.134 CC(CO)N(C)Cc1ccc(cc1)Cl 270004a_100000693034_100000189385 [0,1,0,0,0,0|3,0,0]=4 2267 B14R1.134 CC(CO)N(C)Cc1ccc(cc1)Cl 34a_100000184517_100012180447 [0,1,0,0,0,0|3,0,0]=4 2268 B14R1.134 CC(Oc1ccc(cc1)Cl)C(=O)CF 1458a_100000184027_100015361967 [0,1,0,0,0,0|1,0,2]=4 2269 B14R1.134 CCC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_100000210202 [0,1,0,0,0,0|1,0,2]=4 2270 B14R1.134 CCC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000742827 [0,1,0,0,0,0|1,0,2]=4 2271 B14R1.134 CCC(O)C(=O)Cc1ccc(cc1)Cl 1458a_100011196387_100000694040 [0,1,0,0,0,0|2,0,1]=4 2272 B14R1.134 CCC(O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011196387 [0,1,0,0,0,0|2,0,1]=4 2273 B14R1.134 C[C@H](CO)N(C)Cc1ccc(cc1)Cl 269982a_100000184517_100016084084 [0,1,0,0,0,0|3,0,0]=4 2274 B14R1.134 Cc1ccc(cc1)CC(=O)C(O)CO 1458a_100011215603_100000210814 [0,1,0,0,0,0|2,0,1]=4 2275 B14R1.134 Cc1ccc(cc1)NC(=O)C(O)CO 22a_100000124888_100011215603 [0,1,0,0,0,0|2,0,1]=4 2276 B14R1.134 O=C(Cc1ccc(cc1)Br)C(O)CO 1458a_100011215603_100000189115 [0,1,0,0,0,0|1,1,1]=4 2277 B14R1.134 O=C(Cc1ccc(cc1)Cl)C(O)CO 1458a_100011215603_100000694040 [0,1,0,0,0,0|1,0,1]=3 2278 B14R1.134 O=C(Cc1ccc(cc1)F)C(O)CO 1458a_100011215603_100000198546 [0,1,0,0,0,0|1,1,1]=4 2279 B14R1.134 O=C(Cc1ccc(cc1)I)C(O)CO 1458a_100011215603_100000189116 [0,1,0,0,0,0|1,1,1]=4 2280 B14R1.134 O=C(Cc1ccc(cn1)Cl)C(O)CO 1458a_100011215603_100012066911 [0,1,0,0,0,0|2,0,1]=4 2281 B14R1.134 O=C(Cc1ccc(nc1)Cl)C(O)CO 1458a_100011215603_100000735431 [0,1,0,0,0,0|2,0,1]=4 2282 B14R1.134 O=C(Nc1ccc(cc1)Br)C(O)CO 22a_100000210018_100011215603 [0,1,0,0,0,0|1,1,1]=4 2283 B14R1.134 O=C(Nc1ccc(cc1)Cl)C(O)CO 22a_100000210052_100011215603 [0,1,0,0,0,0|1,0,1]=3 2284 B14R1.134 O=C(Nc1ccc(cc1)F)C(O)CO 22a_100000185862_100011215603 [0,1,0,0,0,0|1,1,1]=4 2285 B14R1.134 O=C(Nc1ccc(cc1)I)C(O)CO 22a_100000185761_100011215603 [0,1,0,0,0,0|1,1,1]=4 2286 B14R1.134 O=C(Nc1ccc(cc1)O)C(O)CO 22a_100000185829_100011215603 [0,1,0,0,0,0|2,0,1]=4 2287 B14R1.293 CC(C)(CO)CNc1ccc(cc1)Br 34a_100000210018_100009813988 [0,1,0,0,0,0|2,1,0]=4 2288 B14R1.293 CC(C)(CO)CNc1ccc(cc1)Cl 34a_100000210052_100009813988 [0,1,0,0,0,0|2,0,0]=3 2289 B14R1.293 CC(C)(CO)CNc1ccc(cc1)F 34a_100000185862_100009813988 [0,1,0,0,0,0|2,1,0]=4 2290 B14R1.293 CC(C)(CO)CNc1ccc(cc1)I 34a_100000185761_100009813988 [0,1,0,0,0,0|2,1,0]=4 2291 B14R1.293 CC(C)(CO)CNc1ccc(cc1)O 34a_100000185829_100009813988 [0,1,0,0,0,0|3,0,0]=4 2292 B14R1.293 CC(C)(CO)COc1ccc(=O)[nH]c1 34a_100000075641_100009813988 [0,1,0,0,0,0|3,0,0]=4 2293 B14R1.293 CC(C)(CO)COc1ccc(cc1)Br 34a_100000185759_100009813988 [0,1,0,0,0,0|1,1,0]=3 2294 B14R1.293 CC(C)(CO)COc1ccc(cc1)Br 7a_100000185759_100009813988 [0,1,0,0,0,0|1,1,0]=3 2295 B14R1.293 CC(C)(CO)COc1ccc(cc1)Cl 34a_100000210216_100009813988 [0,1,0,0,0,0|1,0,0]=2 2296 B14R1.293 CC(C)(CO)COc1ccc(cc1)Cl 7a_100000210216_100009813988 [0,1,0,0,0,0|1,0,0]=2 2297 B14R1.293 CC(C)(CO)COc1ccc(cc1)F 34a_100000210339_100009813988 [0,1,0,0,0,0|1,1,0]=3 2298 B14R1.293 CC(C)(CO)COc1ccc(cc1)I 34a_100000212066_100009813988 [0,1,0,0,0,0|1,1,0]=3 2299 B14R1.293 CC(C)(CO)COc1ccc(cc1)I 7a_100000212066_100009813988 [0,1,0,0,0,0|1,1,0]=3 2300 B14R1.293 CC(C)(CO)COc1ccc(cc1)N 34a_100000185829_100009813988 [0,1,0,0,0,0|2,0,0]=3 2301 B14R1.293 CC(C)(CO)COc1ccc(cn1)Cl 34a_100011215309_100009813988 [0,1,0,0,0,0|2,0,0]=3 2302 B14R1.293 CC(C)(CO)COc1ccc(cn1)F 34a_100000742473_100009813988 [0,1,0,0,0,0|2,1,0]=4 2303 B14R1.293 CC(C)(CO)COc1ccc(cn1)N 34a_100000729260_100009813988 [0,1,0,0,0,0|3,0,0]=4 2304 B14R1.293 CC(C)(CO)COc1ccc(nc1)Br 34a_100000685995_100009813988 [0,1,0,0,0,0|2,1,0]=4 2305 B14R1.293 CC(C)(CO)COc1ccc(nc1)Br 7a_100000685995_100009813988 [0,1,0,0,0,0|2,1,0]=4 2306 B14R1.293 CC(C)(CO)COc1ccc(nc1)Cl 34a_100000744096_100009813988 [0,1,0,0,0,0|2,0,0]=3 2307 B14R1.293 CC(C)(CO)COc1ccc(nc1)Cl 7a_100000744096_100009813988 [0,1,0,0,0,0|2,0,0]=3 2308 B14R1.293 CC(C)(CO)COc1ccc(nc1)F 34a_100000688820_100009813988 [0,1,0,0,0,0|2,1,0]=4 2309 B14R1.293 CC(C)(CO)COc1ccc(nc1)F 7a_100000688820_100009813988 [0,1,0,0,0,0|2,1,0]=4 2310 B14R1.293 CC(C)(CO)COc1ccc(nc1)I 34a_100000687607_100009813988 [0,1,0,0,0,0|2,1,0]=4 2311 B14R1.293 CC(C)(CO)COc1ccc(nc1)I 7a_100000687607_100009813988 [0,1,0,0,0,0|2,1,0]=4 2312 B14R1.293 CC(C)(CO)COc1ccc(nc1)N 34a_100015188713_100009813988 [0,1,0,0,0,0|3,0,0]=4 2313 B14R1.293 CC(C)(CO)COc1ccc(nc1)N 7a_100015188713_100009813988 [0,1,0,0,0,0|3,0,0]=4 2314 B14R1.293 CC(C)(CO)COc1cnc(cn1)Cl 34a_100015839800_100009813988 [0,1,0,0,0,0|3,0,0]=4 2315 B14R1.293 CC(C)(CO)COc1cnc(nc1)Cl 34a_100000092845_100009813988 [0,1,0,0,0,0|3,0,0]=4 2316 B14R1.293 CC(C)(CO)COc1cnc(nc1)Cl 7a_100000092845_100009813988 [0,1,0,0,0,0|3,0,0]=4 2317 B14R1.293 CC(C)(CO)CSc1ccc(cc1)Br 62a_100000752885_100009813988 [0,1,0,0,0,0|1,2,0]=4 2318 B14R1.293 CC(C)(CO)CSc1ccc(cc1)Br 62a_100009813988_100000752885 [0,1,0,0,0,0|1,2,0]=4 2319 B14R1.293 CC(C)(CO)CSc1ccc(cc1)Cl 62a_100000755918_100009813988 [0,1,0,0,0,0|1,1,0]=3 2320 B14R1.293 CC(C)(CO)CSc1ccc(cc1)Cl 62a_100009813988_100000755918 [0,1,0,0,0,0|1,1,0]=3 2321 B14R1.293 CC(C)(CO)CSc1ccc(cc1)F 62a_100000211213_100009813988 [0,1,0,0,0,0|1,2,0]=4 2322 B14R1.293 CC(C)(CO)CSc1ccc(cc1)F 62a_100009813988_100000211213 [0,1,0,0,0,0|1,2,0]=4 2323 B14R1.293 CC(C)(CO)CSc1ccc(cc1)N 62a_100000185761_100009813988 [0,1,0,0,0,0|2,1,0]=4 2324 B14R1.293 CC(C)(CO)CSc1ccc(cc1)N 62a_100009813988_100000185761 [0,1,0,0,0,0|2,1,0]=4 2325 B14R1.293 CC(C)(CO)CSc1ccc(cc1)O 62a_100009813988_100000185759 [0,1,0,0,0,0|2,1,0]=4 2326 B14R1.293 CC(C)(CO)CSc1ccc(cn1)Cl 62a_100009813988_100011356976 [0,1,0,0,0,0|2,1,0]=4 2327 B14R1.293 CC(C)(CO)CSc1ccc(cn1)Cl 62a_100011356976_100009813988 [0,1,0,0,0,0|2,1,0]=4 2328 B14R1.293 CC(C)(CO)CSc1ccc(nc1)Cl 62a_100000034144_100009813988 [0,1,0,0,0,0|2,1,0]=4 2329 B14R1.293 CC(C)(CO)CSc1ccc(nc1)Cl 62a_100009813988_100000034144 [0,1,0,0,0,0|2,1,0]=4 2330 B14R1.293 CC(C)(CO)NCc1ccc(cc1)Cl 207a_100000210608_100000189385 [0,1,0,0,0,0|3,0,0]=4 2331 B14R1.293 CC(C)(CO)NCc1ccc(cc1)Cl 2230a_100000210608_100000694040 [0,1,0,0,0,0|3,0,0]=4 2332 B14R1.293 CC(C)(CO)NCc1ccc(cc1)Cl 270004a_100000210608_100000189385 [0,1,0,0,0,0|3,0,0]=4 2333 B14R1.293 COC(C)(C)COc1ccc(cc1)Cl 34a_100000210216_100000701081 [0,1,0,0,0,0|3,0,0]=4 2334 B14R1.293 Cc1ccc(cc1)NCC(C)(C)CO 34a_100000124888_100009813988 [0,1,0,0,0,0|3,0,0]=4 2335 B14R1.293 Cc1ccc(cc1)OCC(C)(C)CO 34a_100000210336_100009813988 [0,1,0,0,0,0|2,0,0]=3 2336 B14R1.293 Cc1ccc(cc1)OCC(C)(C)CO 7a_100000210336_100009813988 [0,1,0,0,0,0|2,0,0]=3 2337 B14R1.293 Cc1ccc(cc1)SCC(C)(C)CO 62a_100000186775_100009813988 [0,1,0,0,0,0|2,1,0]=4 2338 B14R1.293 Cc1ccc(cc1)SCC(C)(C)CO 62a_100009813988_100000186775 [0,1,0,0,0,0|2,1,0]=4 2339 B14R1.293 Cc1ccc(cn1)OCC(C)(C)CO 34a_100000745506_100009813988 [0,1,0,0,0,0|3,0,0]=4 2340 B14R1.293 Cc1ccc(cn1)OCC(C)(C)CO 7a_100000745506_100009813988 [0,1,0,0,0,0|3,0,0]=4 2341 B14R1.293 Cc1ccc(nc1)OCC(C)(C)CO 34a_100000759353_100009813988 [0,1,0,0,0,0|3,0,0]=4 2342 B14R1.293 OCC(F)(F)SCc1ccc(cc1)Cl 62a_100000187161_100011217949 [0,1,0,0,0,0|3,0,0]=4 2343 B14R1.293 OCC(F)(F)SCc1ccc(cc1)Cl 62a_100011217949_100000187161 [0,1,0,0,0,0|3,0,0]=4 2344 B14R1.502 C#CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000184674 [0,1,0,0,0,0|1,0,2]=4 2345 B14R1.502 C=CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210623 [0,1,0,0,0,0|1,0,2]=4 2346 B14R1.502 CC(CCO)NCc1ccc(cc1)Cl 2230a_100000174871_100009893172 [0,1,0,0,0,0|3,0,0]=4 2347 B14R1.502 CC(CCO)NCc1ccc(cc1)Cl 34a_100000174871_100009893172 [0,1,0,0,0,0|3,0,0]=4 2348 B14R1.502 CC(CCO)OCc1ccc(cc1)Cl 34a_100000211118_100009893172 [0,1,0,0,0,0|3,0,0]=4 2349 B14R1.502 CC(CCO)OCc1ccc(cc1)Cl 7a_100000211118_100009893172 [0,1,0,0,0,0|3,0,0]=4 2350 B14R1.502 CC(CCO)SCc1ccc(cc1)Cl 62a_100000187161_100009893172 [0,1,0,0,0,0|3,0,0]=4 2351 B14R1.502 CC(CCO)SCc1ccc(cc1)Cl 62a_100009893172_100000187161 [0,1,0,0,0,0|3,0,0]=4 2352 B14R1.502 CCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210303 [0,1,0,0,0,0|1,0,2]=4 2353 B14R1.502 CCCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747444 [0,1,0,0,0,0|1,0,2]=4 2354 B14R1.502 CCCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100011216630 [0,1,0,0,0,0|3,0,0]=4 2355 B14R1.502 CCCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100011216630 [0,1,0,0,0,0|3,0,0]=4 2356 B14R1.502 CCCC(C)COc1ccc(cc1)Br 34a_100000185759_100011216630 [0,1,0,0,0,0|2,1,0]=4 2357 B14R1.502 CCCC(C)COc1ccc(cc1)Br 7a_100000185759_100011216630 [0,1,0,0,0,0|2,1,0]=4 2358 B14R1.502 CCCC(C)COc1ccc(cc1)C 34a_100000210336_100011216630 [0,1,0,0,0,0|3,0,0]=4 2359 B14R1.502 CCCC(C)COc1ccc(cc1)C 7a_100000210336_100011216630 [0,1,0,0,0,0|3,0,0]=4 2360 B14R1.502 CCCC(C)COc1ccc(cc1)Cl 34a_100000210216_100011216630 [0,1,0,0,0,0|2,0,0]=3 2361 B14R1.502 CCCC(C)COc1ccc(cc1)Cl 7a_100000210216_100011216630 [0,1,0,0,0,0|2,0,0]=3 2362 B14R1.502 CCCC(C)COc1ccc(cc1)F 34a_100000210339_100011216630 [0,1,0,0,0,0|2,1,0]=4 2363 B14R1.502 CCCC(C)COc1ccc(cc1)I 34a_100000212066_100011216630 [0,1,0,0,0,0|2,1,0]=4 2364 B14R1.502 CCCC(C)COc1ccc(cc1)I 7a_100000212066_100011216630 [0,1,0,0,0,0|2,1,0]=4 2365 B14R1.502 CCCC(C)COc1ccc(cc1)N 34a_100000185829_100011216630 [0,1,0,0,0,0|3,0,0]=4 2366 B14R1.502 CCCC(C)COc1ccc(cn1)Cl 34a_100011215309_100011216630 [0,1,0,0,0,0|3,0,0]=4 2367 B14R1.502 CCCC(C)COc1ccc(nc1)Cl 34a_100000744096_100011216630 [0,1,0,0,0,0|3,0,0]=4 2368 B14R1.502 CCCC(C)COc1ccc(nc1)Cl 7a_100000744096_100011216630 [0,1,0,0,0,0|3,0,0]=4 2369 B14R1.502 CCCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100011216630 [0,1,0,0,0,0|2,1,0]=4 2370 B14R1.502 CCCC(C)CSc1ccc(cc1)Cl 62a_100011216630_100000755918 [0,1,0,0,0,0|2,1,0]=4 2371 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 11a_100015525214_100016990877 [0,1,0,0,0,0|1,0,2]=4 2372 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 240690a_100015525214_100016990877 [0,1,0,0,0,0|1,0,2]=4 2373 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183381 [0,1,0,0,0,0|1,0,2]=4 2374 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 527a_100015525214_100016990877 [0,1,0,0,0,0|1,0,2]=4 2375 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183381 [0,1,0,0,0,0|1,0,2]=4 2376 B14R1.502 CCNC(C)CCc1ccc(cc1)Cl 270004a_100015525214_100011279170 [0,1,0,0,0,0|3,0,0]=4 2377 B14R1.502 CCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000210202 [0,1,0,0,0,0|3,0,0]=4 2378 B14R1.502 CCNC(C)COc1ccc(cc1)C 34a_100000743913_100000210202 [0,1,0,0,0,0|3,0,0]=4 2379 B14R1.502 CCNC(C)COc1ccc(cc1)Cl 270004a_100015525214_200000150450 [0,1,0,0,0,0|2,0,0]=3 2380 B14R1.502 CCNC(C)CSc1ccc(cc1)Cl 270004a_100015525214_100000150472 [0,1,0,0,0,0|2,1,0]=4 2381 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000188475 [0,1,0,0,0,0|1,0,2]=4 2382 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000188475 [0,1,0,0,0,0|1,0,2]=4 2383 B14R1.502 CCOC(C)COc1ccc(cc1)C 34a_100011217472_100000210202 [0,1,0,0,0,0|3,0,0]=4 2384 B14R1.502 CCOC(C)COc1ccc(cc1)C 7a_100011217472_100000210202 [0,1,0,0,0,0|3,0,0]=4 2385 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 2230a_100000210263_100011713675 [0,1,0,0,0,0|3,0,0]=4 2386 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 2230a_100000698262_100000211926 [0,1,0,0,0,0|3,0,0]=4 2387 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 269982a_100000210263_100011713675 [0,1,0,0,0,0|3,0,0]=4 2388 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 269982a_100000698262_100000211926 [0,1,0,0,0,0|3,0,0]=4 2389 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 34a_100000698262_100000211926 [0,1,0,0,0,0|3,0,0]=4 2390 B14R1.502 COCC(=O)CCc1ccc(cc1)Cl 1458a_100000210968_100011713675 [0,1,0,0,0,0|1,0,2]=4 2391 B14R1.502 COCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000765312 [0,1,0,0,0,0|3,0,0]=4 2392 B14R1.502 COCC(C)NCc1ccc(cc1)Cl 270004a_100000174871_100000749346 [0,1,0,0,0,0|3,0,0]=4 2393 B14R1.502 COCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000765312 [0,1,0,0,0,0|3,0,0]=4 2394 B14R1.502 COCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000765312 [0,1,0,0,0,0|3,0,0]=4 2395 B14R1.502 COCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000765312 [0,1,0,0,0,0|3,0,0]=4 2396 B14R1.502 COCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000765312 [0,1,0,0,0,0|3,0,0]=4 2397 B14R1.502 COCC(C)SCc1ccc(cc1)Cl 62a_100000765312_100000187161 [0,1,0,0,0,0|3,0,0]=4 2398 B14R1.502 COCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011215053 [0,1,0,0,0,0|1,1,0]=3 2399 B14R1.502 COCC(O)CNc1ccc(cc1)C 34a_100000124888_100011215053 [0,1,0,0,0,0|2,0,0]=3 2400 B14R1.502 COCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011215053 [0,1,0,0,0,0|1,0,0]=2 2401 B14R1.502 COCC(O)CNc1ccc(cc1)F 34a_100000185862_100011215053 [0,1,0,0,0,0|1,1,0]=3 2402 B14R1.502 COCC(O)CNc1ccc(cc1)I 34a_100000185761_100011215053 [0,1,0,0,0,0|1,1,0]=3 2403 B14R1.502 COCC(O)CNc1ccc(cc1)O 34a_100000185829_100011215053 [0,1,0,0,0,0|2,0,0]=3 2404 B14R1.502 COCC(O)CNc1ccc(cn1)Br 27a_100000756049_100000686858 [0,1,0,0,0,0|2,1,0]=4 2405 B14R1.502 COCC(O)CNc1ncc(cn1)Cl 27a_100000756049_100011356929 [0,1,0,0,0,0|3,0,0]=4 2406 B14R1.502 COCC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011215053 [0,1,0,0,0,0|2,0,0]=3 2407 B14R1.502 COCC(O)COc1ccc(cc1)Br 34a_100000185759_100011215053 [0,1,0,0,0,0|0,1,0]=2 2408 B14R1.502 COCC(O)COc1ccc(cc1)Br 7a_100000185759_100011215053 [0,1,0,0,0,0|0,1,0]=2 2409 B14R1.502 COCC(O)COc1ccc(cc1)C 34a_100000210336_100011215053 [0,1,0,0,0,0|1,0,0]=2 2410 B14R1.502 COCC(O)COc1ccc(cc1)C 7a_100000210336_100011215053 [0,1,0,0,0,0|1,0,0]=2 2411 B14R1.502 COCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011215053 [0,1,0,0,0,0|0,0,0]=1 2412 B14R1.502 COCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011215053 [0,1,0,0,0,0|0,0,0]=1 2413 B14R1.502 COCC(O)COc1ccc(cc1)F 34a_100000210339_100011215053 [0,1,0,0,0,0|0,1,0]=2 2414 B14R1.502 COCC(O)COc1ccc(cc1)I 34a_100000212066_100011215053 [0,1,0,0,0,0|0,1,0]=2 2415 B14R1.502 COCC(O)COc1ccc(cc1)I 7a_100000212066_100011215053 [0,1,0,0,0,0|0,1,0]=2 2416 B14R1.502 COCC(O)COc1ccc(cc1)N 34a_100000185829_100011215053 [0,1,0,0,0,0|1,0,0]=2 2417 B14R1.502 COCC(O)COc1ccc(cn1)C 34a_100000759353_100011215053 [0,1,0,0,0,0|2,0,0]=3 2418 B14R1.502 COCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011215053 [0,1,0,0,0,0|1,0,0]=2 2419 B14R1.502 COCC(O)COc1ccc(cn1)F 34a_100000742473_100011215053 [0,1,0,0,0,0|1,1,0]=3 2420 B14R1.502 COCC(O)COc1ccc(cn1)N 34a_100000729260_100011215053 [0,1,0,0,0,0|2,0,0]=3 2421 B14R1.502 COCC(O)COc1ccc(nc1)Br 34a_100000685995_100011215053 [0,1,0,0,0,0|1,1,0]=3 2422 B14R1.502 COCC(O)COc1ccc(nc1)Br 7a_100000685995_100011215053 [0,1,0,0,0,0|1,1,0]=3 2423 B14R1.502 COCC(O)COc1ccc(nc1)C 34a_100000745506_100011215053 [0,1,0,0,0,0|2,0,0]=3 2424 B14R1.502 COCC(O)COc1ccc(nc1)C 7a_100000745506_100011215053 [0,1,0,0,0,0|2,0,0]=3 2425 B14R1.502 COCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011215053 [0,1,0,0,0,0|1,0,0]=2 2426 B14R1.502 COCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011215053 [0,1,0,0,0,0|1,0,0]=2 2427 B14R1.502 COCC(O)COc1ccc(nc1)F 34a_100000688820_100011215053 [0,1,0,0,0,0|1,1,0]=3 2428 B14R1.502 COCC(O)COc1ccc(nc1)F 7a_100000688820_100011215053 [0,1,0,0,0,0|1,1,0]=3 2429 B14R1.502 COCC(O)COc1ccc(nc1)I 34a_100000687607_100011215053 [0,1,0,0,0,0|1,1,0]=3 2430 B14R1.502 COCC(O)COc1ccc(nc1)I 7a_100000687607_100011215053 [0,1,0,0,0,0|1,1,0]=3 2431 B14R1.502 COCC(O)COc1ccc(nc1)N 34a_100015188713_100011215053 [0,1,0,0,0,0|2,0,0]=3 2432 B14R1.502 COCC(O)COc1ccc(nc1)N 7a_100015188713_100011215053 [0,1,0,0,0,0|2,0,0]=3 2433 B14R1.502 COCC(O)COc1cnc(cn1)Br 34a_100011934580_100011215053 [0,1,0,0,0,0|2,1,0]=4 2434 B14R1.502 COCC(O)COc1cnc(cn1)Cl 34a_100015839800_100011215053 [0,1,0,0,0,0|2,0,0]=3 2435 B14R1.502 COCC(O)COc1cnc(nc1)Br 34a_100000730009_100011215053 [0,1,0,0,0,0|2,1,0]=4 2436 B14R1.502 COCC(O)COc1cnc(nc1)Br 7a_100000730009_100011215053 [0,1,0,0,0,0|2,1,0]=4 2437 B14R1.502 COCC(O)COc1cnc(nc1)C 34a_100000062939_100011215053 [0,1,0,0,0,0|3,0,0]=4 2438 B14R1.502 COCC(O)COc1cnc(nc1)C 7a_100000062939_100011215053 [0,1,0,0,0,0|3,0,0]=4 2439 B14R1.502 COCC(O)COc1cnc(nc1)Cl 34a_100000092845_100011215053 [0,1,0,0,0,0|2,0,0]=3 2440 B14R1.502 COCC(O)COc1cnc(nc1)Cl 7a_100000092845_100011215053 [0,1,0,0,0,0|2,0,0]=3 2441 B14R1.502 COCC(O)COc1cnc(nc1)F 34a_200009874573_100011215053 [0,1,0,0,0,0|2,1,0]=4 2442 B14R1.502 COCC(O)COc1cnc(nc1)F 7a_200009874573_100011215053 [0,1,0,0,0,0|2,1,0]=4 2443 B14R1.502 COCC(O)COc1cnc(nc1)N 34a_100000087137_100011215053 [0,1,0,0,0,0|3,0,0]=4 2444 B14R1.502 COCC(O)COc1cnc(nc1)N 7a_100000087137_100011215053 [0,1,0,0,0,0|3,0,0]=4 2445 B14R1.502 COCC(O)COc1ncc(cn1)F 34a_100011934040_100011215053 [0,1,0,0,0,0|2,1,0]=4 2446 B14R1.502 COCC(O)CSc1cc[n+](cc1)[O-] 62a_100011215053_100000039755 [0,1,0,0,0,0|2,1,0]=4 2447 B14R1.502 COCC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011215053 [0,1,0,0,0,0|2,1,0]=4 2448 B14R1.502 COCC(O)CSc1ccc(=O)[nH]c1 62a_100011215053_100000212171 [0,1,0,0,0,0|2,1,0]=4 2449 B14R1.502 COCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011215053 [0,1,0,0,0,0|0,2,0]=3 2450 B14R1.502 COCC(O)CSc1ccc(cc1)Br 62a_100011215053_100000752885 [0,1,0,0,0,0|0,2,0]=3 2451 B14R1.502 COCC(O)CSc1ccc(cc1)C 62a_100000186775_100011215053 [0,1,0,0,0,0|1,1,0]=3 2452 B14R1.502 COCC(O)CSc1ccc(cc1)C 62a_100011215053_100000186775 [0,1,0,0,0,0|1,1,0]=3 2453 B14R1.502 COCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011215053 [0,1,0,0,0,0|0,1,0]=2 2454 B14R1.502 COCC(O)CSc1ccc(cc1)Cl 62a_100011215053_100000755918 [0,1,0,0,0,0|0,1,0]=2 2455 B14R1.502 COCC(O)CSc1ccc(cc1)F 62a_100000211213_100011215053 [0,1,0,0,0,0|0,2,0]=3 2456 B14R1.502 COCC(O)CSc1ccc(cc1)F 62a_100011215053_100000211213 [0,1,0,0,0,0|0,2,0]=3 2457 B14R1.502 COCC(O)CSc1ccc(cc1)N 62a_100000185761_100011215053 [0,1,0,0,0,0|1,1,0]=3 2458 B14R1.502 COCC(O)CSc1ccc(cc1)N 62a_100011215053_100000185761 [0,1,0,0,0,0|1,1,0]=3 2459 B14R1.502 COCC(O)CSc1ccc(cc1)O 62a_100011215053_100000185759 [0,1,0,0,0,0|1,1,0]=3 2460 B14R1.502 COCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011215053 [0,1,0,0,0,0|1,2,0]=4 2461 B14R1.502 COCC(O)CSc1ccc(cn1)Br 62a_100011215053_100000686858 [0,1,0,0,0,0|1,2,0]=4 2462 B14R1.502 COCC(O)CSc1ccc(cn1)C 62a_100011192072_100011215053 [0,1,0,0,0,0|2,1,0]=4 2463 B14R1.502 COCC(O)CSc1ccc(cn1)C 62a_100011215053_100000754016 [0,1,0,0,0,0|2,1,0]=4 2464 B14R1.502 COCC(O)CSc1ccc(cn1)Cl 62a_100011215053_100011356976 [0,1,0,0,0,0|1,1,0]=3 2465 B14R1.502 COCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011215053 [0,1,0,0,0,0|1,1,0]=3 2466 B14R1.502 COCC(O)CSc1ccc(cn1)F 62a_100000744514_100011215053 [0,1,0,0,0,0|1,2,0]=4 2467 B14R1.502 COCC(O)CSc1ccc(cn1)F 62a_100011215053_100000744514 [0,1,0,0,0,0|1,2,0]=4 2468 B14R1.502 COCC(O)CSc1ccc(cn1)N 62a_100000737798_100011215053 [0,1,0,0,0,0|2,1,0]=4 2469 B14R1.502 COCC(O)CSc1ccc(cn1)N 62a_100011215053_100000737798 [0,1,0,0,0,0|2,1,0]=4 2470 B14R1.502 COCC(O)CSc1ccc(cn1)O 62a_100000685995_100011215053 [0,1,0,0,0,0|2,1,0]=4 2471 B14R1.502 COCC(O)CSc1ccc(cn1)O 62a_100011215053_100000744096 [0,1,0,0,0,0|2,1,0]=4 2472 B14R1.502 COCC(O)CSc1ccc(nc1)Br 62a_100009814638_100011215053 [0,1,0,0,0,0|1,2,0]=4 2473 B14R1.502 COCC(O)CSc1ccc(nc1)Br 62a_100011215053_100009814638 [0,1,0,0,0,0|1,2,0]=4 2474 B14R1.502 COCC(O)CSc1ccc(nc1)C 62a_100000751577_100011215053 [0,1,0,0,0,0|2,1,0]=4 2475 B14R1.502 COCC(O)CSc1ccc(nc1)C 62a_100011215053_100000751577 [0,1,0,0,0,0|2,1,0]=4 2476 B14R1.502 COCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011215053 [0,1,0,0,0,0|1,1,0]=3 2477 B14R1.502 COCC(O)CSc1ccc(nc1)Cl 62a_100011215053_100000034144 [0,1,0,0,0,0|1,1,0]=3 2478 B14R1.502 COCC(O)CSc1ccc(nc1)F 62a_100000042367_100011215053 [0,1,0,0,0,0|1,2,0]=4 2479 B14R1.502 COCC(O)CSc1ccc(nc1)F 62a_100011215053_100000042367 [0,1,0,0,0,0|1,2,0]=4 2480 B14R1.502 COCC(O)CSc1ccc(nc1)N 62a_100000187370_100011215053 [0,1,0,0,0,0|2,1,0]=4 2481 B14R1.502 COCC(O)CSc1ccc(nc1)N 62a_100011215053_100000187370 [0,1,0,0,0,0|2,1,0]=4 2482 B14R1.502 COCC(O)CSc1ccc(nn1)Cl 62a_100000068654_100011215053 [0,1,0,0,0,0|2,1,0]=4 2483 B14R1.502 COCC(O)CSc1ccc(nn1)Cl 62a_100011215053_100000068654 [0,1,0,0,0,0|2,1,0]=4 2484 B14R1.502 COCC(O)CSc1cnc(cn1)Cl 62a_100010214907_100011215053 [0,1,0,0,0,0|2,1,0]=4 2485 B14R1.502 COCC(O)CSc1cnc(cn1)Cl 62a_100011215053_100010214907 [0,1,0,0,0,0|2,1,0]=4 2486 B14R1.502 COCC(O)CSc1cnc(nc1)Cl 62a_100000059775_100011215053 [0,1,0,0,0,0|2,1,0]=4 2487 B14R1.502 COCC(O)CSc1cnc(nc1)Cl 62a_100011215053_100000059775 [0,1,0,0,0,0|2,1,0]=4 2488 B14R1.502 COCC(O)CSc1ncc(cn1)Cl 62a_100011215053_100011356929 [0,1,0,0,0,0|2,1,0]=4 2489 B14R1.502 COCC(O)CSc1ncc(cn1)Cl 62a_100011356929_100011215053 [0,1,0,0,0,0|2,1,0]=4 2490 B14R1.502 COCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000766300 [0,1,0,0,0,0|3,0,0]=4 2491 B14R1.502 COCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000766300 [0,1,0,0,0,0|3,0,0]=4 2492 B14R1.502 COC[C@@H](C)NCc1ccc(cc1)Cl 207a_100000764878_100000189385 [0,1,0,0,0,0|3,0,0]=4 2493 B14R1.502 COC[C@@H](C)NCc1ccc(cc1)Cl 2230a_100000764878_100000694040 [0,1,0,0,0,0|3,0,0]=4 2494 B14R1.502 COC[C@@H](C)NCc1ccc(cc1)Cl 270004a_100000764878_100000189385 [0,1,0,0,0,0|3,0,0]=4 2495 B14R1.502 COC[C@@H](C)OCc1ccc(cc1)Cl 34a_100011934205_100000694040 [0,1,0,0,0,0|3,0,0]=4 2496 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 207a_100000706166_100000189385 [0,1,0,0,0,0|3,0,0]=4 2497 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 2230a_100000706166_100000694040 [0,1,0,0,0,0|3,0,0]=4 2498 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 270004a_100000706166_100000189385 [0,1,0,0,0,0|3,0,0]=4 2499 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 34a_100000706166_100000694040 [0,1,0,0,0,0|3,0,0]=4 2500 B14R1.502 Cc1ccc(cc1)OCC(=O)CCO 1458a_100000182360_100000211926 [0,1,0,0,0,0|1,0,2]=4 2501 B14R1.502 Cc1ccc(cc1)OCC(=O)NCO 34a_100000210336_100000185155 [0,1,0,0,0,0|1,0,2]=4 2502 B14R1.502 Cc1ccc(cc1)OCC(=O)NCO 7a_100000210336_100000185155 [0,1,0,0,0,0|1,0,2]=4 2503 B14R1.502 Cc1ccc(cc1)OCC(C)NCF 34a_100000743913_100015361967 [0,1,0,0,0,0|3,0,0]=4 2504 B14R1.502 Cc1ccc(cc1)OCC(C)OCF 34a_100011217472_100015361967 [0,1,0,0,0,0|3,0,0]=4 2505 B14R1.502 Cc1ccc(cc1)OCC(C)OCF 7a_100011217472_100015361967 [0,1,0,0,0,0|3,0,0]=4 2506 B14R1.502 Cc1ccc(cc1)OC[C@@H](O)CC#N 7a_100000210336_100000001066 [0,1,0,0,0,0|2,0,0]=3 2507 B14R1.502 Cc1ccc(cc1)SC[C@@H](O)CC#N 62a_100000001066_100000186775 [0,1,0,0,0,0|2,1,0]=4 2508 B14R1.502 Cc1ccc(cc1)SC[C@@H](O)CC#N 62a_100000186775_100000001066 [0,1,0,0,0,0|2,1,0]=4 2509 B14R1.502 Cc1ccc(cn1)OC[C@@H](O)CC#N 7a_100000745506_100000001066 [0,1,0,0,0,0|3,0,0]=4 2510 B14R1.502 N#CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100011214920 [0,1,0,0,0,0|1,0,2]=4 2511 B14R1.502 N#CC[C@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100000001066 [0,1,0,0,0,0|2,1,0]=4 2512 B14R1.502 N#CC[C@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100000001066 [0,1,0,0,0,0|2,0,0]=3 2513 B14R1.502 N#CC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100000001066 [0,1,0,0,0,0|1,1,0]=3 2514 B14R1.502 N#CC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100000001066 [0,1,0,0,0,0|1,0,0]=2 2515 B14R1.502 N#CC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100000001066 [0,1,0,0,0,0|1,1,0]=3 2516 B14R1.502 N#CC[C@H](O)COc1ccc(nc1)Br 7a_100000685995_100000001066 [0,1,0,0,0,0|2,1,0]=4 2517 B14R1.502 N#CC[C@H](O)COc1ccc(nc1)Cl 7a_100000744096_100000001066 [0,1,0,0,0,0|2,0,0]=3 2518 B14R1.502 N#CC[C@H](O)COc1ccc(nc1)F 7a_100000688820_100000001066 [0,1,0,0,0,0|2,1,0]=4 2519 B14R1.502 N#CC[C@H](O)COc1ccc(nc1)I 7a_100000687607_100000001066 [0,1,0,0,0,0|2,1,0]=4 2520 B14R1.502 N#CC[C@H](O)COc1ccc(nc1)N 7a_100015188713_100000001066 [0,1,0,0,0,0|3,0,0]=4 2521 B14R1.502 N#CC[C@H](O)COc1cnc(nc1)Cl 7a_100000092845_100000001066 [0,1,0,0,0,0|3,0,0]=4 2522 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)Br 62a_100000001066_100000752885 [0,1,0,0,0,0|1,2,0]=4 2523 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)Br 62a_100000752885_100000001066 [0,1,0,0,0,0|1,2,0]=4 2524 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)Cl 62a_100000001066_100000755918 [0,1,0,0,0,0|1,1,0]=3 2525 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100000001066 [0,1,0,0,0,0|1,1,0]=3 2526 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)F 62a_100000001066_100000211213 [0,1,0,0,0,0|1,2,0]=4 2527 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)F 62a_100000211213_100000001066 [0,1,0,0,0,0|1,2,0]=4 2528 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)N 62a_100000001066_100000185761 [0,1,0,0,0,0|2,1,0]=4 2529 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)N 62a_100000185761_100000001066 [0,1,0,0,0,0|2,1,0]=4 2530 B14R1.502 N#CC[C@H](O)CSc1ccc(cc1)O 62a_100000001066_100000185759 [0,1,0,0,0,0|2,1,0]=4 2531 B14R1.502 N#CC[C@H](O)CSc1ccc(cn1)Cl 62a_100000001066_100011356976 [0,1,0,0,0,0|2,1,0]=4 2532 B14R1.502 N#CC[C@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100000001066 [0,1,0,0,0,0|2,1,0]=4 2533 B14R1.502 N#CC[C@H](O)CSc1ccc(nc1)Cl 62a_100000001066_100000034144 [0,1,0,0,0,0|2,1,0]=4 2534 B14R1.502 N#CC[C@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100000001066 [0,1,0,0,0,0|2,1,0]=4 2535 B14R1.502 Nc1ccc(cc1)OCC(=O)NCO 34a_100000185829_100000185155 [0,1,0,0,0,0|1,0,2]=4 2536 B14R1.502 O=C(CCF)COc1ccc(cc1)Cl 1458a_100016990877_100011217306 [0,1,0,0,0,0|1,0,2]=4 2537 B14R1.502 O=C(CCO)CCc1ccc(cc1)Cl 1458a_100000235379_100000211926 [0,1,0,0,0,0|1,0,2]=4 2538 B14R1.502 O=C(CCO)CCc1ccc(cc1)Cl 1458a_100011216618_100011713675 [0,1,0,0,0,0|1,0,2]=4 2539 B14R1.502 O=C(CCO)COc1ccc(cc1)Br 1458a_100000182358_100000211926 [0,1,0,0,0,0|0,1,2]=4 2540 B14R1.502 O=C(CCO)COc1ccc(cc1)Cl 1458a_100016990877_100000211926 [0,1,0,0,0,0|0,0,2]=3 2541 B14R1.502 O=C(CCO)COc1ccc(cc1)F 1458a_100000184765_100000211926 [0,1,0,0,0,0|0,1,2]=4 2542 B14R1.502 O=C(CCO)COc1ccc(cc1)I 1458a_100000184369_100000211926 [0,1,0,0,0,0|0,1,2]=4 2543 B14R1.502 O=C(CCO)COc1ccc(cc1)O 1458a_100000031633_100000211926 [0,1,0,0,0,0|1,0,2]=4 2544 B14R1.502 O=C(CCO)CSc1ccc(cc1)Cl 1458a_100000178402_100000211926 [0,1,0,0,0,0|0,1,2]=4 2545 B14R1.502 O=C(CNc1ccc(cc1)Cl)NCO 2230a_100000210052_100000185155 [0,1,0,0,0,0|1,0,2]=4 2546 B14R1.502 O=C(CNc1ccc(cc1)Cl)NCO 34a_100000210052_100000185155 [0,1,0,0,0,0|1,0,2]=4 2547 B14R1.502 O=C(COc1ccc(cc1)Br)NCO 34a_100000185759_100000185155 [0,1,0,0,0,0|0,1,2]=4 2548 B14R1.502 O=C(COc1ccc(cc1)Br)NCO 7a_100000185759_100000185155 [0,1,0,0,0,0|0,1,2]=4 2549 B14R1.502 O=C(COc1ccc(cc1)Cl)NCO 34a_100000210216_100000185155 [0,1,0,0,0,0|0,0,2]=3 2550 B14R1.502 O=C(COc1ccc(cc1)Cl)NCO 7a_100000210216_100000185155 [0,1,0,0,0,0|0,0,2]=3 2551 B14R1.502 O=C(COc1ccc(cc1)F)NCO 34a_100000210339_100000185155 [0,1,0,0,0,0|0,1,2]=4 2552 B14R1.502 O=C(COc1ccc(cc1)I)NCO 34a_100000212066_100000185155 [0,1,0,0,0,0|0,1,2]=4 2553 B14R1.502 O=C(COc1ccc(cc1)I)NCO 7a_100000212066_100000185155 [0,1,0,0,0,0|0,1,2]=4 2554 B14R1.502 O=C(COc1ccc(cn1)Cl)NCO 34a_100011215309_100000185155 [0,1,0,0,0,0|1,0,2]=4 2555 B14R1.502 O=C(COc1ccc(nc1)Cl)NCO 34a_100000744096_100000185155 [0,1,0,0,0,0|1,0,2]=4 2556 B14R1.502 O=C(COc1ccc(nc1)Cl)NCO 7a_100000744096_100000185155 [0,1,0,0,0,0|1,0,2]=4 2557 B14R1.502 O=C(CSc1ccc(cc1)Cl)NCO 62a_100000185155_100000755918 [0,1,0,0,0,0|0,1,2]=4 2558 B14R1.502 O=C(CSc1ccc(cc1)Cl)NCO 62a_100000755918_100000185155 [0,1,0,0,0,0|0,1,2]=4 2559 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Cl 2230a_100016989147_100000694040 [0,1,0,0,0,0|3,0,0]=4 2560 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Cl 270004a_100016989147_100000189385 [0,1,0,0,0,0|3,0,0]=4 2561 B14R1.529 C=C[C@@H](CO)NCc1ccc(cc1)Cl 34a_100016989147_100000694040 [0,1,0,0,0,0|3,0,0]=4 2562 B14R1.529 CCC(CC)CNc1ccc(cc1)Cl 2230a_100000210052_100011215472 [0,1,0,0,0,0|3,0,0]=4 2563 B14R1.529 CCC(CC)CNc1ccc(cc1)Cl 34a_100000210052_100011215472 [0,1,0,0,0,0|3,0,0]=4 2564 B14R1.529 CCC(CC)COc1ccc(cc1)Br 34a_100000185759_100011215472 [0,1,0,0,0,0|2,1,0]=4 2565 B14R1.529 CCC(CC)COc1ccc(cc1)Br 7a_100000185759_100011215472 [0,1,0,0,0,0|2,1,0]=4 2566 B14R1.529 CCC(CC)COc1ccc(cc1)C 34a_100000210336_100011215472 [0,1,0,0,0,0|3,0,0]=4 2567 B14R1.529 CCC(CC)COc1ccc(cc1)C 7a_100000210336_100011215472 [0,1,0,0,0,0|3,0,0]=4 2568 B14R1.529 CCC(CC)COc1ccc(cc1)Cl 34a_100000210216_100011215472 [0,1,0,0,0,0|2,0,0]=3 2569 B14R1.529 CCC(CC)COc1ccc(cc1)Cl 7a_100000210216_100011215472 [0,1,0,0,0,0|2,0,0]=3 2570 B14R1.529 CCC(CC)COc1ccc(cc1)F 34a_100000210339_100011215472 [0,1,0,0,0,0|2,1,0]=4 2571 B14R1.529 CCC(CC)COc1ccc(cc1)I 34a_100000212066_100011215472 [0,1,0,0,0,0|2,1,0]=4 2572 B14R1.529 CCC(CC)COc1ccc(cc1)I 7a_100000212066_100011215472 [0,1,0,0,0,0|2,1,0]=4 2573 B14R1.529 CCC(CC)COc1ccc(cc1)N 34a_100000185829_100011215472 [0,1,0,0,0,0|3,0,0]=4 2574 B14R1.529 CCC(CC)COc1ccc(cn1)Cl 34a_100011215309_100011215472 [0,1,0,0,0,0|3,0,0]=4 2575 B14R1.529 CCC(CC)COc1ccc(nc1)Cl 34a_100000744096_100011215472 [0,1,0,0,0,0|3,0,0]=4 2576 B14R1.529 CCC(CC)COc1ccc(nc1)Cl 7a_100000744096_100011215472 [0,1,0,0,0,0|3,0,0]=4 2577 B14R1.529 CCC(CC)CSc1ccc(cc1)Cl 62a_100000755918_100011215472 [0,1,0,0,0,0|2,1,0]=4 2578 B14R1.529 CCC(CC)CSc1ccc(cc1)Cl 62a_100011215472_100000755918 [0,1,0,0,0,0|2,1,0]=4 2579 B14R1.529 CC[C@@H](CO)NCc1ccc(cc1)Cl 207a_100000709445_100000189385 [0,1,0,0,0,0|3,0,0]=4 2580 B14R1.529 CC[C@@H](CO)NCc1ccc(cc1)Cl 2230a_100000709445_100000694040 [0,1,0,0,0,0|3,0,0]=4 2581 B14R1.529 CC[C@@H](CO)NCc1ccc(cc1)Cl 270004a_100000709445_100000189385 [0,1,0,0,0,0|3,0,0]=4 2582 B14R1.529 COC(CNc1ccc(cc1)Cl)OC 2230a_100000210052_100000751394 [0,1,0,0,0,0|3,0,0]=4 2583 B14R1.529 COC(CNc1ccc(cc1)Cl)OC 34a_100000210052_100000211822 [0,1,0,0,0,0|3,0,0]=4 2584 B14R1.529 COC(COc1ccc(cc1)Br)OC 34a_100000185759_100000211822 [0,1,0,0,0,0|2,1,0]=4 2585 B14R1.529 COC(COc1ccc(cc1)Br)OC 7a_100000185759_100000751394 [0,1,0,0,0,0|2,1,0]=4 2586 B14R1.529 COC(COc1ccc(cc1)C)OC 34a_100000210336_100000211822 [0,1,0,0,0,0|3,0,0]=4 2587 B14R1.529 COC(COc1ccc(cc1)C)OC 7a_100000210336_100000751394 [0,1,0,0,0,0|3,0,0]=4 2588 B14R1.529 COC(COc1ccc(cc1)Cl)OC 34a_100000210216_100000211822 [0,1,0,0,0,0|2,0,0]=3 2589 B14R1.529 COC(COc1ccc(cc1)Cl)OC 7a_100000210216_100000751394 [0,1,0,0,0,0|2,0,0]=3 2590 B14R1.529 COC(COc1ccc(cc1)F)OC 34a_100000210339_100000211822 [0,1,0,0,0,0|2,1,0]=4 2591 B14R1.529 COC(COc1ccc(cc1)I)OC 34a_100000212066_100000211822 [0,1,0,0,0,0|2,1,0]=4 2592 B14R1.529 COC(COc1ccc(cc1)I)OC 7a_100000212066_100000751394 [0,1,0,0,0,0|2,1,0]=4 2593 B14R1.529 COC(COc1ccc(cc1)N)OC 34a_100000185829_100000211822 [0,1,0,0,0,0|3,0,0]=4 2594 B14R1.529 COC(COc1ccc(cn1)Cl)OC 34a_100011215309_100000211822 [0,1,0,0,0,0|3,0,0]=4 2595 B14R1.529 COC(COc1ccc(nc1)Cl)OC 34a_100000744096_100000211822 [0,1,0,0,0,0|3,0,0]=4 2596 B14R1.529 COC(COc1ccc(nc1)Cl)OC 7a_100000744096_100000751394 [0,1,0,0,0,0|3,0,0]=4 2597 B14R1.529 COC(CSc1ccc(cc1)Cl)OC 62a_100000751394_100000755918 [0,1,0,0,0,0|2,1,0]=4 2598 B14R1.529 COC(CSc1ccc(cc1)Cl)OC 62a_100000755918_100000751394 [0,1,0,0,0,0|2,1,0]=4 2599 B14R1.529 Cc1ccc(cc1)CNC(CO)CO 207a_100000759517_100000211033 [0,1,0,0,0,0|3,0,0]=4 2600 B14R1.529 Cc1ccc(cc1)CNC(CO)CO 2230a_100000759517_100000210814 [0,1,0,0,0,0|3,0,0]=4 2601 B14R1.529 OCC(=NNc1ccc(cc1)Cl)CO 4a_100000683521_100000036256 [0,1,0,0,0,0|2,0,1]=4 2602 B14R1.529 OCC(CO)NCc1ccc(cc1)Br 207a_100000759517_100000186029 [0,1,0,0,0,0|2,1,0]=4 2603 B14R1.529 OCC(CO)NCc1ccc(cc1)Br 2230a_100000759517_100011217064 [0,1,0,0,0,0|2,1,0]=4 2604 B14R1.529 OCC(CO)NCc1ccc(cc1)Cl 207a_100000759517_100000189385 [0,1,0,0,0,0|2,0,0]=3 2605 B14R1.529 OCC(CO)NCc1ccc(cc1)Cl 2230a_100000759517_100000694040 [0,1,0,0,0,0|2,0,0]=3 2606 B14R1.529 OCC(CO)NCc1ccc(cc1)F 207a_100000759517_100000210084 [0,1,0,0,0,0|2,1,0]=4 2607 B14R1.529 OCC(CO)NCc1ccc(cc1)F 2230a_100000759517_100000198546 [0,1,0,0,0,0|2,1,0]=4 2608 B14R1.529 OCC(CO)NCc1ccc(cc1)I 207a_100000759517_100000188517 [0,1,0,0,0,0|2,1,0]=4 2609 B14R1.529 OCC(CO)NCc1ccc(cc1)I 2230a_100000759517_100000189116 [0,1,0,0,0,0|2,1,0]=4 2610 B14R1.529 OCC(CO)NCc1ccc(cn1)Cl 207a_100000759517_100011361569 [0,1,0,0,0,0|3,0,0]=4 2611 B14R1.529 OCC(CO)NCc1ccc(cn1)Cl 2230a_100000759517_100012066911 [0,1,0,0,0,0|3,0,0]=4 2612 B14R1.529 OCC(CO)NCc1ccc(nc1)Cl 2230a_100000759517_100000735431 [0,1,0,0,0,0|3,0,0]=4 2613 B14R1.679 CC(C)C(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210206 [0,1,0,0,0,0|1,0,2]=4 2614 B14R1.679 CC(C)C(=O)COc1ccc(cc1)Cl 34a_100000210216_100000753385 [0,1,0,0,0,0|1,0,2]=4 2615 B14R1.679 CC(C)C(=O)COc1ccc(cc1)Cl 7a_100000210216_100000753385 [0,1,0,0,0,0|1,0,2]=4 2616 B14R1.679 CC(COc1ccc(cc1)Cl)N(C)C 270004a_100102631434_200000150450 [0,1,0,0,0,0|3,0,0]=4 2617 B14R1.679 C[C@@H](O)C(=O)CCc1ccc(cc1)Cl 1458a_100000717761_100011713675 [0,1,0,0,0,0|1,0,2]=4 2618 B14R1.679 C[C@H](O)C(=O)CCc1ccc(cc1)Cl 1458a_217856618621_100011713675 [0,1,0,0,0,0|1,0,2]=4 2619 B14R1.679 O=C(CCc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100011713675 [0,1,0,0,0,0|1,0,2]=4 2620 B14R1.727 C=CC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000730141 [0,1,0,0,0,0|2,0,1]=4 2621 B14R1.727 C=CC(O)CNc1ccc(cc1C)Cl 34a_100000210418_100000730141 [0,1,0,0,0,0|2,0,1]=4 2622 B14R1.727 C=CC(O)CNc1ccc(cc1C)Cl 7a_100000210418_100000730141 [0,1,0,0,0,0|2,0,1]=4 2623 B14R1.727 C=CC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000730141 [0,1,0,0,0,0|2,0,1]=4 2624 B14R1.727 C=CC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100000730141 [0,1,0,0,0,0|2,0,1]=4 2625 B14R1.727 C=CC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100000730141 [0,1,0,0,0,0|2,0,1]=4 2626 B14R1.727 C=CC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100000730141 [0,1,0,0,0,0|2,0,1]=4 2627 B14R1.727 C=CC(O)COc1ccc(cc1Br)Br 34a_100000188717_100000730141 [0,1,0,0,0,0|1,1,1]=4 2628 B14R1.727 C=CC(O)COc1ccc(cc1Br)Br 7a_100000188717_100000730141 [0,1,0,0,0,0|1,1,1]=4 2629 B14R1.727 C=CC(O)COc1ccc(cc1Br)C 34a_100000210800_100000730141 [0,1,0,0,0,0|2,0,1]=4 2630 B14R1.727 C=CC(O)COc1ccc(cc1Br)C 7a_100000210800_100000730141 [0,1,0,0,0,0|2,0,1]=4 2631 B14R1.727 C=CC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100000730141 [0,1,0,0,0,0|1,0,1]=3 2632 B14R1.727 C=CC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100000730141 [0,1,0,0,0,0|1,0,1]=3 2633 B14R1.727 C=CC(O)COc1ccc(cc1Br)F 34a_100000211999_100000730141 [0,1,0,0,0,0|1,1,1]=4 2634 B14R1.727 C=CC(O)COc1ccc(cc1Br)F 7a_100000211999_100000730141 [0,1,0,0,0,0|1,1,1]=4 2635 B14R1.727 C=CC(O)COc1ccc(cc1Br)I 34a_100012361655_100000730141 [0,1,0,0,0,0|1,1,1]=4 2636 B14R1.727 C=CC(O)COc1ccc(cc1Br)I 7a_100012361655_100000730141 [0,1,0,0,0,0|1,1,1]=4 2637 B14R1.727 C=CC(O)COc1ccc(cc1Br)N 34a_100011534360_100000730141 [0,1,0,0,0,0|2,0,1]=4 2638 B14R1.727 C=CC(O)COc1ccc(cc1Br)N 7a_100011534360_100000730141 [0,1,0,0,0,0|2,0,1]=4 2639 B14R1.727 C=CC(O)COc1ccc(cc1C)Br 34a_100000186361_100000730141 [0,1,0,0,0,0|1,1,1]=4 2640 B14R1.727 C=CC(O)COc1ccc(cc1C)Br 7a_100000186361_100000730141 [0,1,0,0,0,0|1,1,1]=4 2641 B14R1.727 C=CC(O)COc1ccc(cc1C)C 34a_100000211776_100000730141 [0,1,0,0,0,0|2,0,1]=4 2642 B14R1.727 C=CC(O)COc1ccc(cc1C)C 7a_100000211776_100000730141 [0,1,0,0,0,0|2,0,1]=4 2643 B14R1.727 C=CC(O)COc1ccc(cc1C)Cl 34a_100000211091_100000730141 [0,1,0,0,0,0|1,0,1]=3 2644 B14R1.727 C=CC(O)COc1ccc(cc1C)Cl 7a_100000211091_100000730141 [0,1,0,0,0,0|1,0,1]=3 2645 B14R1.727 C=CC(O)COc1ccc(cc1C)F 34a_100000764316_100000730141 [0,1,0,0,0,0|1,1,1]=4 2646 B14R1.727 C=CC(O)COc1ccc(cc1C)F 7a_100000764316_100000730141 [0,1,0,0,0,0|1,1,1]=4 2647 B14R1.727 C=CC(O)COc1ccc(cc1C)I 34a_100011218673_100000730141 [0,1,0,0,0,0|1,1,1]=4 2648 B14R1.727 C=CC(O)COc1ccc(cc1C)I 7a_100011218673_100000730141 [0,1,0,0,0,0|1,1,1]=4 2649 B14R1.727 C=CC(O)COc1ccc(cc1C)N 34a_100011218179_100000730141 [0,1,0,0,0,0|2,0,1]=4 2650 B14R1.727 C=CC(O)COc1ccc(cc1C)N 7a_100011218179_100000730141 [0,1,0,0,0,0|2,0,1]=4 2651 B14R1.727 C=CC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100000730141 [0,1,0,0,0,0|1,1,1]=4 2652 B14R1.727 C=CC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100000730141 [0,1,0,0,0,0|1,1,1]=4 2653 B14R1.727 C=CC(O)COc1ccc(cc1Cl)C 34a_100000749699_100000730141 [0,1,0,0,0,0|2,0,1]=4 2654 B14R1.727 C=CC(O)COc1ccc(cc1Cl)C 7a_100000749699_100000730141 [0,1,0,0,0,0|2,0,1]=4 2655 B14R1.727 C=CC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000730141 [0,1,0,0,0,0|1,0,1]=3 2656 B14R1.727 C=CC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000730141 [0,1,0,0,0,0|1,0,1]=3 2657 B14R1.727 C=CC(O)COc1ccc(cc1Cl)F 34a_100000212004_100000730141 [0,1,0,0,0,0|1,1,1]=4 2658 B14R1.727 C=CC(O)COc1ccc(cc1Cl)F 7a_100000212004_100000730141 [0,1,0,0,0,0|1,1,1]=4 2659 B14R1.727 C=CC(O)COc1ccc(cc1Cl)I 34a_100012360047_100000730141 [0,1,0,0,0,0|1,1,1]=4 2660 B14R1.727 C=CC(O)COc1ccc(cc1Cl)I 7a_100012360047_100000730141 [0,1,0,0,0,0|1,1,1]=4 2661 B14R1.727 C=CC(O)COc1ccc(cc1Cl)N 34a_100000744943_100000730141 [0,1,0,0,0,0|2,0,1]=4 2662 B14R1.727 C=CC(O)COc1ccc(cc1Cl)N 7a_100000744943_100000730141 [0,1,0,0,0,0|2,0,1]=4 2663 B14R1.727 C=CC(O)COc1ccc(cc1F)Br 34a_100000185481_100000730141 [0,1,0,0,0,0|1,1,1]=4 2664 B14R1.727 C=CC(O)COc1ccc(cc1F)Br 7a_100000185481_100000730141 [0,1,0,0,0,0|1,1,1]=4 2665 B14R1.727 C=CC(O)COc1ccc(cc1F)C 34a_100011216688_100000730141 [0,1,0,0,0,0|2,0,1]=4 2666 B14R1.727 C=CC(O)COc1ccc(cc1F)C 7a_100011216688_100000730141 [0,1,0,0,0,0|2,0,1]=4 2667 B14R1.727 C=CC(O)COc1ccc(cc1F)Cl 34a_100000230166_100000730141 [0,1,0,0,0,0|1,0,1]=3 2668 B14R1.727 C=CC(O)COc1ccc(cc1F)Cl 7a_100000230166_100000730141 [0,1,0,0,0,0|1,0,1]=3 2669 B14R1.727 C=CC(O)COc1ccc(cc1F)F 34a_100000230127_100000730141 [0,1,0,0,0,0|1,1,1]=4 2670 B14R1.727 C=CC(O)COc1ccc(cc1F)F 7a_100000230127_100000730141 [0,1,0,0,0,0|1,1,1]=4 2671 B14R1.727 C=CC(O)COc1ccc(cc1F)I 34a_100011356965_100000730141 [0,1,0,0,0,0|1,1,1]=4 2672 B14R1.727 C=CC(O)COc1ccc(cc1F)I 7a_100011356965_100000730141 [0,1,0,0,0,0|1,1,1]=4 2673 B14R1.727 C=CC(O)COc1ccc(cc1F)N 34a_100011220035_100000730141 [0,1,0,0,0,0|2,0,1]=4 2674 B14R1.727 C=CC(O)COc1ccc(cc1F)N 7a_100011220035_100000730141 [0,1,0,0,0,0|2,0,1]=4 2675 B14R1.727 C=CC(O)COc1ccc(cc1I)Br 34a_100012355227_100000730141 [0,1,0,0,0,0|1,1,1]=4 2676 B14R1.727 C=CC(O)COc1ccc(cc1I)Br 7a_100012355227_100000730141 [0,1,0,0,0,0|1,1,1]=4 2677 B14R1.727 C=CC(O)COc1ccc(cc1I)C 34a_100000765521_100000730141 [0,1,0,0,0,0|2,0,1]=4 2678 B14R1.727 C=CC(O)COc1ccc(cc1I)C 7a_100000765521_100000730141 [0,1,0,0,0,0|2,0,1]=4 2679 B14R1.727 C=CC(O)COc1ccc(cc1I)Cl 34a_100011356953_100000730141 [0,1,0,0,0,0|1,0,1]=3 2680 B14R1.727 C=CC(O)COc1ccc(cc1I)Cl 7a_100011356953_100000730141 [0,1,0,0,0,0|1,0,1]=3 2681 B14R1.727 C=CC(O)COc1ccc(cc1I)F 34a_100012355409_100000730141 [0,1,0,0,0,0|1,1,1]=4 2682 B14R1.727 C=CC(O)COc1ccc(cc1I)F 7a_100012355409_100000730141 [0,1,0,0,0,0|1,1,1]=4 2683 B14R1.727 C=CC(O)COc1ccc(cc1I)I 7a_100010001573_100000730141 [0,1,0,0,0,0|1,1,1]=4 2684 B14R1.727 C=CC(O)COc1ccc(cc1N)Br 34a_100000752626_100000730141 [0,1,0,0,0,0|1,1,1]=4 2685 B14R1.727 C=CC(O)COc1ccc(cc1N)Br 7a_100000752626_100000730141 [0,1,0,0,0,0|1,1,1]=4 2686 B14R1.727 C=CC(O)COc1ccc(cc1N)C 34a_100011215204_100000730141 [0,1,0,0,0,0|2,0,1]=4 2687 B14R1.727 C=CC(O)COc1ccc(cc1N)C 7a_100011215204_100000730141 [0,1,0,0,0,0|2,0,1]=4 2688 B14R1.727 C=CC(O)COc1ccc(cc1N)Cl 34a_100000210500_100000730141 [0,1,0,0,0,0|1,0,1]=3 2689 B14R1.727 C=CC(O)COc1ccc(cc1N)Cl 7a_100000210500_100000730141 [0,1,0,0,0,0|1,0,1]=3 2690 B14R1.727 C=CC(O)COc1ccc(cc1N)F 34a_100000759472_100000730141 [0,1,0,0,0,0|1,1,1]=4 2691 B14R1.727 C=CC(O)COc1ccc(cc1N)F 7a_100000759472_100000730141 [0,1,0,0,0,0|1,1,1]=4 2692 B14R1.727 C=CC(O)COc1ccc(cc1N)I 34a_100000753495_100000730141 [0,1,0,0,0,0|1,1,1]=4 2693 B14R1.727 C=CC(O)COc1ccc(cc1N)I 7a_100000753495_100000730141 [0,1,0,0,0,0|1,1,1]=4 2694 B14R1.727 C=CC(O)COc1ccc(cc1N)N 34a_100000725306_100000730141 [0,1,0,0,0,0|2,0,1]=4 2695 B14R1.727 C=CC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100000730141 [0,1,0,0,0,0|2,0,1]=4 2696 B14R1.727 C=CC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100000730141 [0,1,0,0,0,0|2,0,1]=4 2697 B14R1.727 C=CC(O)COc1ccc(nc1C)Cl 34a_100012184626_100000730141 [0,1,0,0,0,0|2,0,1]=4 2698 B14R1.727 C=CC(O)COc1ccc(nc1C)Cl 7a_100012184626_100000730141 [0,1,0,0,0,0|2,0,1]=4 2699 B14R1.727 C=CC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100000730141 [0,1,0,0,0,0|2,0,1]=4 2700 B14R1.727 C=CC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100000730141 [0,1,0,0,0,0|2,0,1]=4 2701 B14R1.727 C=CC(O)COc1ccc(nc1F)Cl 34a_100009880201_100000730141 [0,1,0,0,0,0|2,0,1]=4 2702 B14R1.727 C=CC(O)COc1ccc(nc1F)Cl 7a_100009880201_100000730141 [0,1,0,0,0,0|2,0,1]=4 2703 B14R1.727 C=CC(O)COc1ccc(nc1I)Cl 34a_100000696390_100000730141 [0,1,0,0,0,0|2,0,1]=4 2704 B14R1.727 C=CC(O)COc1ccc(nc1I)Cl 7a_100000696390_100000730141 [0,1,0,0,0,0|2,0,1]=4 2705 B14R1.727 C=CC(O)COc1ccc(nc1N)Cl 34a_100000717809_100000730141 [0,1,0,0,0,0|2,0,1]=4 2706 B14R1.727 C=CC(O)COc1ccc(nc1N)Cl 7a_100000717809_100000730141 [0,1,0,0,0,0|2,0,1]=4 2707 B14R1.727 C=CC(O)COc1cnc(cc1C)Cl 34a_100000692680_100000730141 [0,1,0,0,0,0|2,0,1]=4 2708 B14R1.727 C=CC(O)COc1cnc(cc1C)Cl 7a_100000692680_100000730141 [0,1,0,0,0,0|2,0,1]=4 2709 B14R1.727 C=CC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100000730141 [0,1,0,0,0,0|2,0,1]=4 2710 B14R1.727 C=CC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100000730141 [0,1,0,0,0,0|2,0,1]=4 2711 B14R1.727 C=CC(O)COc1cnc(cc1I)Cl 34a_100000698892_100000730141 [0,1,0,0,0,0|2,0,1]=4 2712 B14R1.727 C=CC(O)COc1cnc(cc1I)Cl 7a_100000698892_100000730141 [0,1,0,0,0,0|2,0,1]=4 2713 B14R1.727 C=CC(O)COc1ncc(cc1F)Cl 34a_100011998252_100000730141 [0,1,0,0,0,0|2,0,1]=4 2714 B14R1.727 C=CC(O)COc1ncc(cc1N)Cl 34a_100011998249_100000730141 [0,1,0,0,0,0|2,0,1]=4 2715 B14R1.727 C=CC(O)CSc1ccc(cc1Br)Cl 62a_100000730141_100011219703 [0,1,0,0,0,0|1,1,1]=4 2716 B14R1.727 C=CC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000730141 [0,1,0,0,0,0|1,1,1]=4 2717 B14R1.727 C=CC(O)CSc1ccc(cc1C)Cl 62a_100000730141_100011219607 [0,1,0,0,0,0|1,1,1]=4 2718 B14R1.727 C=CC(O)CSc1ccc(cc1C)Cl 62a_100011219607_100000730141 [0,1,0,0,0,0|1,1,1]=4 2719 B14R1.727 C=CC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000730141 [0,1,0,0,0,0|1,1,1]=4 2720 B14R1.727 C=CC(O)CSc1ccc(cc1Cl)Cl 62a_100000730141_100000699841 [0,1,0,0,0,0|1,1,1]=4 2721 B14R1.727 C=CC(O)CSc1ccc(cc1F)Cl 62a_100000730141_100011216042 [0,1,0,0,0,0|1,1,1]=4 2722 B14R1.727 C=CC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100000730141 [0,1,0,0,0,0|1,1,1]=4 2723 B14R1.727 C=CC(O)CSc1ccc(cc1N)Cl 62a_100000730141_100000761886 [0,1,0,0,0,0|1,1,1]=4 2724 B14R1.727 C=CC(O)CSc1ccc(cc1N)Cl 62a_100000761886_100000730141 [0,1,0,0,0,0|1,1,1]=4 2725 B14R1.727 C=CC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100000730141 [0,1,0,0,0,0|1,1,1]=4 2726 B14R1.727 C=CC(O)CSc1ccc(cc1O)Cl 62a_100000730141_100000050036 [0,1,0,0,0,0|1,1,1]=4 2727 B14R1.727 CC(CO)NCc1ccc(cc1Br)Cl 34a_100102692131_100012180447 [0,1,0,0,0,0|3,0,0]=4 2728 B14R1.727 CC(CO)NCc1ccc(cc1Cl)Cl 34a_100000174880_100012180447 [0,1,0,0,0,0|3,0,0]=4 2729 B14R1.727 CC(CO)NCc1ccc(cc1F)Cl 34a_100000708496_100012180447 [0,1,0,0,0,0|3,0,0]=4 2730 B14R1.727 CC(CO)OCc1ccc(cc1Br)Cl 34a_100000707881_100012180447 [0,1,0,0,0,0|3,0,0]=4 2731 B14R1.727 CC(CO)OCc1ccc(cc1Br)Cl 7a_100000707881_100012180447 [0,1,0,0,0,0|3,0,0]=4 2732 B14R1.727 CC(CO)OCc1ccc(cc1Cl)Cl 34a_100000215721_100012180447 [0,1,0,0,0,0|3,0,0]=4 2733 B14R1.727 CC(CO)OCc1ccc(cc1Cl)Cl 7a_100000215721_100012180447 [0,1,0,0,0,0|3,0,0]=4 2734 B14R1.727 CC(CO)OCc1ccc(cc1F)Cl 34a_100011217562_100012180447 [0,1,0,0,0,0|3,0,0]=4 2735 B14R1.727 CC(CO)OCc1ccc(cc1F)Cl 7a_100011217562_100012180447 [0,1,0,0,0,0|3,0,0]=4 2736 B14R1.727 CC(CO)OCc1ccc(cc1I)Cl 34a_100000722340_100012180447 [0,1,0,0,0,0|3,0,0]=4 2737 B14R1.727 CC(CO)OCc1ccc(cc1I)Cl 7a_100000722340_100012180447 [0,1,0,0,0,0|3,0,0]=4 2738 B14R1.727 CC(CO)OCc1ccc(cc1N)Cl 34a_100000238622_100012180447 [0,1,0,0,0,0|3,0,0]=4 2739 B14R1.727 CC(CO)OCc1ccc(cc1N)Cl 7a_100000238622_100012180447 [0,1,0,0,0,0|3,0,0]=4 2740 B14R1.727 CC(CO)SCc1ccc(cc1Br)Cl 62a_100012180447_100000755608 [0,1,0,0,0,0|3,0,0]=4 2741 B14R1.727 CC(CO)SCc1ccc(cc1Cl)Cl 62a_100012180447_100000188473 [0,1,0,0,0,0|3,0,0]=4 2742 B14R1.727 CC(CO)SCc1ccc(cc1F)Cl 62a_100012180447_100000709361 [0,1,0,0,0,0|3,0,0]=4 2743 B14R1.727 CC(CO)SCc1ccc(cc1I)Cl 62a_100012180447_100010254388 [0,1,0,0,0,0|3,0,0]=4 2744 B14R1.727 CCC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_100000210202 [0,1,0,0,0,0|1,0,2]=4 2745 B14R1.727 CCC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000747405 [0,1,0,0,0,0|1,0,2]=4 2746 B14R1.727 CCC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_100000210202 [0,1,0,0,0,0|1,0,2]=4 2747 B14R1.727 CCC(=O)COc1ccc(cc1C)Cl 7a_100000211091_100000747405 [0,1,0,0,0,0|1,0,2]=4 2748 B14R1.727 CCC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_100000210202 [0,1,0,0,0,0|1,0,2]=4 2749 B14R1.727 CCC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000747405 [0,1,0,0,0,0|1,0,2]=4 2750 B14R1.727 CCC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_100000210202 [0,1,0,0,0,0|1,0,2]=4 2751 B14R1.727 CCC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000747405 [0,1,0,0,0,0|1,0,2]=4 2752 B14R1.727 CCC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000747405 [0,1,0,0,0,0|1,0,2]=4 2753 B14R1.727 CCC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000747405 [0,1,0,0,0,0|1,0,2]=4 2754 B14R1.727 CCC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_100000210202 [0,1,0,0,0,0|1,0,2]=4 2755 B14R1.727 CCC(C)CNc1ccc(cc1Br)Cl 34a_100000752454_100000748023 [0,1,0,0,0,0|3,0,0]=4 2756 B14R1.727 CCC(C)CNc1ccc(cc1C)Cl 34a_100000210418_100000748023 [0,1,0,0,0,0|3,0,0]=4 2757 B14R1.727 CCC(C)CNc1ccc(cc1C)Cl 7a_100000210418_100000748023 [0,1,0,0,0,0|3,0,0]=4 2758 B14R1.727 CCC(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000748023 [0,1,0,0,0,0|3,0,0]=4 2759 B14R1.727 CCC(C)CNc1ccc(cc1F)Cl 34a_100000211020_100000748023 [0,1,0,0,0,0|3,0,0]=4 2760 B14R1.727 CCC(C)CNc1ccc(cc1I)Cl 34a_100000761889_100000748023 [0,1,0,0,0,0|3,0,0]=4 2761 B14R1.727 CCC(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000748023 [0,1,0,0,0,0|3,0,0]=4 2762 B14R1.727 CCC(C)COc1ccc(cc1Br)Br 34a_100000188717_100000748023 [0,1,0,0,0,0|2,1,0]=4 2763 B14R1.727 CCC(C)COc1ccc(cc1Br)Br 7a_100000188717_100000748023 [0,1,0,0,0,0|2,1,0]=4 2764 B14R1.727 CCC(C)COc1ccc(cc1Br)C 34a_100000210800_100000748023 [0,1,0,0,0,0|3,0,0]=4 2765 B14R1.727 CCC(C)COc1ccc(cc1Br)C 7a_100000210800_100000748023 [0,1,0,0,0,0|3,0,0]=4 2766 B14R1.727 CCC(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000748023 [0,1,0,0,0,0|2,0,0]=3 2767 B14R1.727 CCC(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000748023 [0,1,0,0,0,0|2,0,0]=3 2768 B14R1.727 CCC(C)COc1ccc(cc1Br)F 34a_100000211999_100000748023 [0,1,0,0,0,0|2,1,0]=4 2769 B14R1.727 CCC(C)COc1ccc(cc1Br)F 7a_100000211999_100000748023 [0,1,0,0,0,0|2,1,0]=4 2770 B14R1.727 CCC(C)COc1ccc(cc1Br)I 34a_100012361655_100000748023 [0,1,0,0,0,0|2,1,0]=4 2771 B14R1.727 CCC(C)COc1ccc(cc1Br)I 7a_100012361655_100000748023 [0,1,0,0,0,0|2,1,0]=4 2772 B14R1.727 CCC(C)COc1ccc(cc1Br)N 34a_100011534360_100000748023 [0,1,0,0,0,0|3,0,0]=4 2773 B14R1.727 CCC(C)COc1ccc(cc1Br)N 7a_100011534360_100000748023 [0,1,0,0,0,0|3,0,0]=4 2774 B14R1.727 CCC(C)COc1ccc(cc1C)Br 34a_100000186361_100000748023 [0,1,0,0,0,0|2,1,0]=4 2775 B14R1.727 CCC(C)COc1ccc(cc1C)Br 7a_100000186361_100000748023 [0,1,0,0,0,0|2,1,0]=4 2776 B14R1.727 CCC(C)COc1ccc(cc1C)C 34a_100000211776_100000748023 [0,1,0,0,0,0|3,0,0]=4 2777 B14R1.727 CCC(C)COc1ccc(cc1C)C 7a_100000211776_100000748023 [0,1,0,0,0,0|3,0,0]=4 2778 B14R1.727 CCC(C)COc1ccc(cc1C)Cl 34a_100000211091_100000748023 [0,1,0,0,0,0|2,0,0]=3 2779 B14R1.727 CCC(C)COc1ccc(cc1C)Cl 7a_100000211091_100000748023 [0,1,0,0,0,0|2,0,0]=3 2780 B14R1.727 CCC(C)COc1ccc(cc1C)F 34a_100000764316_100000748023 [0,1,0,0,0,0|2,1,0]=4 2781 B14R1.727 CCC(C)COc1ccc(cc1C)F 7a_100000764316_100000748023 [0,1,0,0,0,0|2,1,0]=4 2782 B14R1.727 CCC(C)COc1ccc(cc1C)I 34a_100011218673_100000748023 [0,1,0,0,0,0|2,1,0]=4 2783 B14R1.727 CCC(C)COc1ccc(cc1C)I 7a_100011218673_100000748023 [0,1,0,0,0,0|2,1,0]=4 2784 B14R1.727 CCC(C)COc1ccc(cc1C)N 34a_100011218179_100000748023 [0,1,0,0,0,0|3,0,0]=4 2785 B14R1.727 CCC(C)COc1ccc(cc1C)N 7a_100011218179_100000748023 [0,1,0,0,0,0|3,0,0]=4 2786 B14R1.727 CCC(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000748023 [0,1,0,0,0,0|2,1,0]=4 2787 B14R1.727 CCC(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000748023 [0,1,0,0,0,0|2,1,0]=4 2788 B14R1.727 CCC(C)COc1ccc(cc1Cl)C 34a_100000749699_100000748023 [0,1,0,0,0,0|3,0,0]=4 2789 B14R1.727 CCC(C)COc1ccc(cc1Cl)C 7a_100000749699_100000748023 [0,1,0,0,0,0|3,0,0]=4 2790 B14R1.727 CCC(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000748023 [0,1,0,0,0,0|2,0,0]=3 2791 B14R1.727 CCC(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000748023 [0,1,0,0,0,0|2,0,0]=3 2792 B14R1.727 CCC(C)COc1ccc(cc1Cl)F 34a_100000212004_100000748023 [0,1,0,0,0,0|2,1,0]=4 2793 B14R1.727 CCC(C)COc1ccc(cc1Cl)F 7a_100000212004_100000748023 [0,1,0,0,0,0|2,1,0]=4 2794 B14R1.727 CCC(C)COc1ccc(cc1Cl)I 34a_100012360047_100000748023 [0,1,0,0,0,0|2,1,0]=4 2795 B14R1.727 CCC(C)COc1ccc(cc1Cl)I 7a_100012360047_100000748023 [0,1,0,0,0,0|2,1,0]=4 2796 B14R1.727 CCC(C)COc1ccc(cc1Cl)N 34a_100000744943_100000748023 [0,1,0,0,0,0|3,0,0]=4 2797 B14R1.727 CCC(C)COc1ccc(cc1Cl)N 7a_100000744943_100000748023 [0,1,0,0,0,0|3,0,0]=4 2798 B14R1.727 CCC(C)COc1ccc(cc1F)Br 34a_100000185481_100000748023 [0,1,0,0,0,0|2,1,0]=4 2799 B14R1.727 CCC(C)COc1ccc(cc1F)Br 7a_100000185481_100000748023 [0,1,0,0,0,0|2,1,0]=4 2800 B14R1.727 CCC(C)COc1ccc(cc1F)C 34a_100011216688_100000748023 [0,1,0,0,0,0|3,0,0]=4 2801 B14R1.727 CCC(C)COc1ccc(cc1F)C 7a_100011216688_100000748023 [0,1,0,0,0,0|3,0,0]=4 2802 B14R1.727 CCC(C)COc1ccc(cc1F)Cl 34a_100000230166_100000748023 [0,1,0,0,0,0|2,0,0]=3 2803 B14R1.727 CCC(C)COc1ccc(cc1F)Cl 7a_100000230166_100000748023 [0,1,0,0,0,0|2,0,0]=3 2804 B14R1.727 CCC(C)COc1ccc(cc1F)F 34a_100000230127_100000748023 [0,1,0,0,0,0|2,1,0]=4 2805 B14R1.727 CCC(C)COc1ccc(cc1F)F 7a_100000230127_100000748023 [0,1,0,0,0,0|2,1,0]=4 2806 B14R1.727 CCC(C)COc1ccc(cc1F)I 34a_100011356965_100000748023 [0,1,0,0,0,0|2,1,0]=4 2807 B14R1.727 CCC(C)COc1ccc(cc1F)I 7a_100011356965_100000748023 [0,1,0,0,0,0|2,1,0]=4 2808 B14R1.727 CCC(C)COc1ccc(cc1F)N 34a_100011220035_100000748023 [0,1,0,0,0,0|3,0,0]=4 2809 B14R1.727 CCC(C)COc1ccc(cc1F)N 7a_100011220035_100000748023 [0,1,0,0,0,0|3,0,0]=4 2810 B14R1.727 CCC(C)COc1ccc(cc1I)Br 34a_100012355227_100000748023 [0,1,0,0,0,0|2,1,0]=4 2811 B14R1.727 CCC(C)COc1ccc(cc1I)Br 7a_100012355227_100000748023 [0,1,0,0,0,0|2,1,0]=4 2812 B14R1.727 CCC(C)COc1ccc(cc1I)C 34a_100000765521_100000748023 [0,1,0,0,0,0|3,0,0]=4 2813 B14R1.727 CCC(C)COc1ccc(cc1I)C 7a_100000765521_100000748023 [0,1,0,0,0,0|3,0,0]=4 2814 B14R1.727 CCC(C)COc1ccc(cc1I)Cl 34a_100011356953_100000748023 [0,1,0,0,0,0|2,0,0]=3 2815 B14R1.727 CCC(C)COc1ccc(cc1I)Cl 7a_100011356953_100000748023 [0,1,0,0,0,0|2,0,0]=3 2816 B14R1.727 CCC(C)COc1ccc(cc1I)F 34a_100012355409_100000748023 [0,1,0,0,0,0|2,1,0]=4 2817 B14R1.727 CCC(C)COc1ccc(cc1I)F 7a_100012355409_100000748023 [0,1,0,0,0,0|2,1,0]=4 2818 B14R1.727 CCC(C)COc1ccc(cc1I)I 7a_100010001573_100000748023 [0,1,0,0,0,0|2,1,0]=4 2819 B14R1.727 CCC(C)COc1ccc(cc1N)Br 34a_100000752626_100000748023 [0,1,0,0,0,0|2,1,0]=4 2820 B14R1.727 CCC(C)COc1ccc(cc1N)Br 7a_100000752626_100000748023 [0,1,0,0,0,0|2,1,0]=4 2821 B14R1.727 CCC(C)COc1ccc(cc1N)C 34a_100011215204_100000748023 [0,1,0,0,0,0|3,0,0]=4 2822 B14R1.727 CCC(C)COc1ccc(cc1N)C 7a_100011215204_100000748023 [0,1,0,0,0,0|3,0,0]=4 2823 B14R1.727 CCC(C)COc1ccc(cc1N)Cl 34a_100000210500_100000748023 [0,1,0,0,0,0|2,0,0]=3 2824 B14R1.727 CCC(C)COc1ccc(cc1N)Cl 7a_100000210500_100000748023 [0,1,0,0,0,0|2,0,0]=3 2825 B14R1.727 CCC(C)COc1ccc(cc1N)F 34a_100000759472_100000748023 [0,1,0,0,0,0|2,1,0]=4 2826 B14R1.727 CCC(C)COc1ccc(cc1N)F 7a_100000759472_100000748023 [0,1,0,0,0,0|2,1,0]=4 2827 B14R1.727 CCC(C)COc1ccc(cc1N)I 34a_100000753495_100000748023 [0,1,0,0,0,0|2,1,0]=4 2828 B14R1.727 CCC(C)COc1ccc(cc1N)I 7a_100000753495_100000748023 [0,1,0,0,0,0|2,1,0]=4 2829 B14R1.727 CCC(C)COc1ccc(cc1N)N 34a_100000725306_100000748023 [0,1,0,0,0,0|3,0,0]=4 2830 B14R1.727 CCC(C)COc1ccc(nc1Br)Cl 34a_100010219353_100000748023 [0,1,0,0,0,0|3,0,0]=4 2831 B14R1.727 CCC(C)COc1ccc(nc1Br)Cl 7a_100010219353_100000748023 [0,1,0,0,0,0|3,0,0]=4 2832 B14R1.727 CCC(C)COc1ccc(nc1C)Cl 34a_100012184626_100000748023 [0,1,0,0,0,0|3,0,0]=4 2833 B14R1.727 CCC(C)COc1ccc(nc1C)Cl 7a_100012184626_100000748023 [0,1,0,0,0,0|3,0,0]=4 2834 B14R1.727 CCC(C)COc1ccc(nc1Cl)Cl 34a_100000101165_100000748023 [0,1,0,0,0,0|3,0,0]=4 2835 B14R1.727 CCC(C)COc1ccc(nc1Cl)Cl 7a_100000101165_100000748023 [0,1,0,0,0,0|3,0,0]=4 2836 B14R1.727 CCC(C)COc1ccc(nc1F)Cl 34a_100009880201_100000748023 [0,1,0,0,0,0|3,0,0]=4 2837 B14R1.727 CCC(C)COc1ccc(nc1F)Cl 7a_100009880201_100000748023 [0,1,0,0,0,0|3,0,0]=4 2838 B14R1.727 CCC(C)COc1ccc(nc1I)Cl 34a_100000696390_100000748023 [0,1,0,0,0,0|3,0,0]=4 2839 B14R1.727 CCC(C)COc1ccc(nc1I)Cl 7a_100000696390_100000748023 [0,1,0,0,0,0|3,0,0]=4 2840 B14R1.727 CCC(C)COc1ccc(nc1N)Cl 34a_100000717809_100000748023 [0,1,0,0,0,0|3,0,0]=4 2841 B14R1.727 CCC(C)COc1ccc(nc1N)Cl 7a_100000717809_100000748023 [0,1,0,0,0,0|3,0,0]=4 2842 B14R1.727 CCC(C)COc1cnc(cc1C)Cl 34a_100000692680_100000748023 [0,1,0,0,0,0|3,0,0]=4 2843 B14R1.727 CCC(C)COc1cnc(cc1C)Cl 7a_100000692680_100000748023 [0,1,0,0,0,0|3,0,0]=4 2844 B14R1.727 CCC(C)COc1cnc(cc1Cl)Cl 34a_100009868576_100000748023 [0,1,0,0,0,0|3,0,0]=4 2845 B14R1.727 CCC(C)COc1cnc(cc1Cl)Cl 7a_100009868576_100000748023 [0,1,0,0,0,0|3,0,0]=4 2846 B14R1.727 CCC(C)COc1cnc(cc1I)Cl 34a_100000698892_100000748023 [0,1,0,0,0,0|3,0,0]=4 2847 B14R1.727 CCC(C)COc1cnc(cc1I)Cl 7a_100000698892_100000748023 [0,1,0,0,0,0|3,0,0]=4 2848 B14R1.727 CCC(C)COc1ncc(cc1F)Cl 34a_100011998252_100000748023 [0,1,0,0,0,0|3,0,0]=4 2849 B14R1.727 CCC(C)COc1ncc(cc1N)Cl 34a_100011998249_100000748023 [0,1,0,0,0,0|3,0,0]=4 2850 B14R1.727 CCC(C)CSc1ccc(cc1C)Cl 62a_100000748023_100011219607 [0,1,0,0,0,0|2,1,0]=4 2851 B14R1.727 CCC(C)CSc1ccc(cc1C)Cl 62a_100011219607_100000748023 [0,1,0,0,0,0|2,1,0]=4 2852 B14R1.727 CCC(C)CSc1ccc(cc1F)Cl 62a_100000748023_100011216042 [0,1,0,0,0,0|2,1,0]=4 2853 B14R1.727 CCC(C)CSc1ccc(cc1F)Cl 62a_100011216042_100000748023 [0,1,0,0,0,0|2,1,0]=4 2854 B14R1.727 CCC(C)CSc1ccc(cc1N)Cl 62a_100000748023_100000761886 [0,1,0,0,0,0|2,1,0]=4 2855 B14R1.727 CCC(C)CSc1ccc(cc1N)Cl 62a_100000761886_100000748023 [0,1,0,0,0,0|2,1,0]=4 2856 B14R1.727 CCC(C)CSc1ccc(cc1O)Cl 62a_100000050036_100000748023 [0,1,0,0,0,0|2,1,0]=4 2857 B14R1.727 CCC(C)CSc1ccc(cc1O)Cl 62a_100000748023_100000050036 [0,1,0,0,0,0|2,1,0]=4 2858 B14R1.727 CCC(O)CNc1ccc(cc1Br)Br 34a_100000211012_100011218378 [0,1,0,0,0,0|2,1,0]=4 2859 B14R1.727 CCC(O)CNc1ccc(cc1Br)C 34a_100000210942_100011218378 [0,1,0,0,0,0|3,0,0]=4 2860 B14R1.727 CCC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100011218378 [0,1,0,0,0,0|2,0,0]=3 2861 B14R1.727 CCC(O)CNc1ccc(cc1Br)F 34a_100000738039_100011218378 [0,1,0,0,0,0|2,1,0]=4 2862 B14R1.727 CCC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011218378 [0,1,0,0,0,0|3,0,0]=4 2863 B14R1.727 CCC(O)CNc1ccc(cc1C)Br 34a_100000211769_100011218378 [0,1,0,0,0,0|2,1,0]=4 2864 B14R1.727 CCC(O)CNc1ccc(cc1C)Br 7a_100000211769_100011218378 [0,1,0,0,0,0|2,1,0]=4 2865 B14R1.727 CCC(O)CNc1ccc(cc1C)C 34a_100000736561_100011218378 [0,1,0,0,0,0|3,0,0]=4 2866 B14R1.727 CCC(O)CNc1ccc(cc1C)C 7a_100000736561_100011218378 [0,1,0,0,0,0|3,0,0]=4 2867 B14R1.727 CCC(O)CNc1ccc(cc1C)Cl 34a_100000210418_100011218378 [0,1,0,0,0,0|2,0,0]=3 2868 B14R1.727 CCC(O)CNc1ccc(cc1C)Cl 7a_100000210418_100011218378 [0,1,0,0,0,0|2,0,0]=3 2869 B14R1.727 CCC(O)CNc1ccc(cc1C)F 34a_100000211637_100011218378 [0,1,0,0,0,0|2,1,0]=4 2870 B14R1.727 CCC(O)CNc1ccc(cc1C)F 7a_100000211637_100011218378 [0,1,0,0,0,0|2,1,0]=4 2871 B14R1.727 CCC(O)CNc1ccc(cc1C)I 34a_100000184554_100011218378 [0,1,0,0,0,0|2,1,0]=4 2872 B14R1.727 CCC(O)CNc1ccc(cc1C)I 7a_100000184554_100011218378 [0,1,0,0,0,0|2,1,0]=4 2873 B14R1.727 CCC(O)CNc1ccc(cc1C)O 34a_100000756630_100011218378 [0,1,0,0,0,0|3,0,0]=4 2874 B14R1.727 CCC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011218378 [0,1,0,0,0,0|2,1,0]=4 2875 B14R1.727 CCC(O)CNc1ccc(cc1Cl)C 34a_100000210522_100011218378 [0,1,0,0,0,0|3,0,0]=4 2876 B14R1.727 CCC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011218378 [0,1,0,0,0,0|2,0,0]=3 2877 B14R1.727 CCC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011218378 [0,1,0,0,0,0|2,1,0]=4 2878 B14R1.727 CCC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011218378 [0,1,0,0,0,0|2,1,0]=4 2879 B14R1.727 CCC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011218378 [0,1,0,0,0,0|3,0,0]=4 2880 B14R1.727 CCC(O)CNc1ccc(cc1F)Br 34a_100000210722_100011218378 [0,1,0,0,0,0|2,1,0]=4 2881 B14R1.727 CCC(O)CNc1ccc(cc1F)C 34a_100000211023_100011218378 [0,1,0,0,0,0|3,0,0]=4 2882 B14R1.727 CCC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100011218378 [0,1,0,0,0,0|2,0,0]=3 2883 B14R1.727 CCC(O)CNc1ccc(cc1F)F 34a_100000210720_100011218378 [0,1,0,0,0,0|2,1,0]=4 2884 B14R1.727 CCC(O)CNc1ccc(cc1F)I 34a_100011215594_100011218378 [0,1,0,0,0,0|2,1,0]=4 2885 B14R1.727 CCC(O)CNc1ccc(cc1F)O 34a_100000759473_100011218378 [0,1,0,0,0,0|3,0,0]=4 2886 B14R1.727 CCC(O)CNc1ccc(cc1I)Br 34a_100000187925_100011218378 [0,1,0,0,0,0|2,1,0]=4 2887 B14R1.727 CCC(O)CNc1ccc(cc1I)C 34a_100011356834_100011218378 [0,1,0,0,0,0|3,0,0]=4 2888 B14R1.727 CCC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100011218378 [0,1,0,0,0,0|2,0,0]=3 2889 B14R1.727 CCC(O)CNc1ccc(cc1I)F 34a_100000760547_100011218378 [0,1,0,0,0,0|2,1,0]=4 2890 B14R1.727 CCC(O)CNc1ccc(cc1I)O 34a_100010084370_100011218378 [0,1,0,0,0,0|3,0,0]=4 2891 B14R1.727 CCC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011218378 [0,1,0,0,0,0|2,1,0]=4 2892 B14R1.727 CCC(O)CNc1ccc(cc1O)C 34a_100000211527_100011218378 [0,1,0,0,0,0|3,0,0]=4 2893 B14R1.727 CCC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011218378 [0,1,0,0,0,0|2,0,0]=3 2894 B14R1.727 CCC(O)CNc1ccc(cc1O)F 34a_100000753323_100011218378 [0,1,0,0,0,0|2,1,0]=4 2895 B14R1.727 CCC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218378 [0,1,0,0,0,0|3,0,0]=4 2896 B14R1.727 CCC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011218378 [0,1,0,0,0,0|1,1,0]=3 2897 B14R1.727 CCC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011218378 [0,1,0,0,0,0|1,1,0]=3 2898 B14R1.727 CCC(O)COc1ccc(cc1Br)C 34a_100000210800_100011218378 [0,1,0,0,0,0|2,0,0]=3 2899 B14R1.727 CCC(O)COc1ccc(cc1Br)C 7a_100000210800_100011218378 [0,1,0,0,0,0|2,0,0]=3 2900 B14R1.727 CCC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011218378 [0,1,0,0,0,0|1,0,0]=2 2901 B14R1.727 CCC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011218378 [0,1,0,0,0,0|1,0,0]=2 2902 B14R1.727 CCC(O)COc1ccc(cc1Br)F 34a_100000211999_100011218378 [0,1,0,0,0,0|1,1,0]=3 2903 B14R1.727 CCC(O)COc1ccc(cc1Br)F 7a_100000211999_100011218378 [0,1,0,0,0,0|1,1,0]=3 2904 B14R1.727 CCC(O)COc1ccc(cc1Br)I 34a_100012361655_100011218378 [0,1,0,0,0,0|1,1,0]=3 2905 B14R1.727 CCC(O)COc1ccc(cc1Br)I 7a_100012361655_100011218378 [0,1,0,0,0,0|1,1,0]=3 2906 B14R1.727 CCC(O)COc1ccc(cc1Br)N 34a_100011534360_100011218378 [0,1,0,0,0,0|2,0,0]=3 2907 B14R1.727 CCC(O)COc1ccc(cc1Br)N 7a_100011534360_100011218378 [0,1,0,0,0,0|2,0,0]=3 2908 B14R1.727 CCC(O)COc1ccc(cc1C)Br 34a_100000186361_100011218378 [0,1,0,0,0,0|1,1,0]=3 2909 B14R1.727 CCC(O)COc1ccc(cc1C)Br 7a_100000186361_100011218378 [0,1,0,0,0,0|1,1,0]=3 2910 B14R1.727 CCC(O)COc1ccc(cc1C)C 34a_100000211776_100011218378 [0,1,0,0,0,0|2,0,0]=3 2911 B14R1.727 CCC(O)COc1ccc(cc1C)C 7a_100000211776_100011218378 [0,1,0,0,0,0|2,0,0]=3 2912 B14R1.727 CCC(O)COc1ccc(cc1C)Cl 34a_100000211091_100011218378 [0,1,0,0,0,0|1,0,0]=2 2913 B14R1.727 CCC(O)COc1ccc(cc1C)Cl 7a_100000211091_100011218378 [0,1,0,0,0,0|1,0,0]=2 2914 B14R1.727 CCC(O)COc1ccc(cc1C)F 34a_100000764316_100011218378 [0,1,0,0,0,0|1,1,0]=3 2915 B14R1.727 CCC(O)COc1ccc(cc1C)F 7a_100000764316_100011218378 [0,1,0,0,0,0|1,1,0]=3 2916 B14R1.727 CCC(O)COc1ccc(cc1C)I 34a_100011218673_100011218378 [0,1,0,0,0,0|1,1,0]=3 2917 B14R1.727 CCC(O)COc1ccc(cc1C)I 7a_100011218673_100011218378 [0,1,0,0,0,0|1,1,0]=3 2918 B14R1.727 CCC(O)COc1ccc(cc1C)N 34a_100011218179_100011218378 [0,1,0,0,0,0|2,0,0]=3 2919 B14R1.727 CCC(O)COc1ccc(cc1C)N 7a_100011218179_100011218378 [0,1,0,0,0,0|2,0,0]=3 2920 B14R1.727 CCC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011218378 [0,1,0,0,0,0|1,1,0]=3 2921 B14R1.727 CCC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011218378 [0,1,0,0,0,0|1,1,0]=3 2922 B14R1.727 CCC(O)COc1ccc(cc1Cl)C 34a_100000749699_100011218378 [0,1,0,0,0,0|2,0,0]=3 2923 B14R1.727 CCC(O)COc1ccc(cc1Cl)C 7a_100000749699_100011218378 [0,1,0,0,0,0|2,0,0]=3 2924 B14R1.727 CCC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011218378 [0,1,0,0,0,0|1,0,0]=2 2925 B14R1.727 CCC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011218378 [0,1,0,0,0,0|1,0,0]=2 2926 B14R1.727 CCC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011218378 [0,1,0,0,0,0|1,1,0]=3 2927 B14R1.727 CCC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011218378 [0,1,0,0,0,0|1,1,0]=3 2928 B14R1.727 CCC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011218378 [0,1,0,0,0,0|1,1,0]=3 2929 B14R1.727 CCC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011218378 [0,1,0,0,0,0|1,1,0]=3 2930 B14R1.727 CCC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011218378 [0,1,0,0,0,0|2,0,0]=3 2931 B14R1.727 CCC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011218378 [0,1,0,0,0,0|2,0,0]=3 2932 B14R1.727 CCC(O)COc1ccc(cc1F)Br 34a_100000185481_100011218378 [0,1,0,0,0,0|1,1,0]=3 2933 B14R1.727 CCC(O)COc1ccc(cc1F)Br 7a_100000185481_100011218378 [0,1,0,0,0,0|1,1,0]=3 2934 B14R1.727 CCC(O)COc1ccc(cc1F)C 34a_100011216688_100011218378 [0,1,0,0,0,0|2,0,0]=3 2935 B14R1.727 CCC(O)COc1ccc(cc1F)C 7a_100011216688_100011218378 [0,1,0,0,0,0|2,0,0]=3 2936 B14R1.727 CCC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011218378 [0,1,0,0,0,0|1,0,0]=2 2937 B14R1.727 CCC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011218378 [0,1,0,0,0,0|1,0,0]=2 2938 B14R1.727 CCC(O)COc1ccc(cc1F)F 34a_100000230127_100011218378 [0,1,0,0,0,0|1,1,0]=3 2939 B14R1.727 CCC(O)COc1ccc(cc1F)F 7a_100000230127_100011218378 [0,1,0,0,0,0|1,1,0]=3 2940 B14R1.727 CCC(O)COc1ccc(cc1F)I 34a_100011356965_100011218378 [0,1,0,0,0,0|1,1,0]=3 2941 B14R1.727 CCC(O)COc1ccc(cc1F)I 7a_100011356965_100011218378 [0,1,0,0,0,0|1,1,0]=3 2942 B14R1.727 CCC(O)COc1ccc(cc1F)N 34a_100011220035_100011218378 [0,1,0,0,0,0|2,0,0]=3 2943 B14R1.727 CCC(O)COc1ccc(cc1F)N 7a_100011220035_100011218378 [0,1,0,0,0,0|2,0,0]=3 2944 B14R1.727 CCC(O)COc1ccc(cc1I)Br 34a_100012355227_100011218378 [0,1,0,0,0,0|1,1,0]=3 2945 B14R1.727 CCC(O)COc1ccc(cc1I)Br 7a_100012355227_100011218378 [0,1,0,0,0,0|1,1,0]=3 2946 B14R1.727 CCC(O)COc1ccc(cc1I)C 34a_100000765521_100011218378 [0,1,0,0,0,0|2,0,0]=3 2947 B14R1.727 CCC(O)COc1ccc(cc1I)C 7a_100000765521_100011218378 [0,1,0,0,0,0|2,0,0]=3 2948 B14R1.727 CCC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011218378 [0,1,0,0,0,0|1,0,0]=2 2949 B14R1.727 CCC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011218378 [0,1,0,0,0,0|1,0,0]=2 2950 B14R1.727 CCC(O)COc1ccc(cc1I)F 34a_100012355409_100011218378 [0,1,0,0,0,0|1,1,0]=3 2951 B14R1.727 CCC(O)COc1ccc(cc1I)F 7a_100012355409_100011218378 [0,1,0,0,0,0|1,1,0]=3 2952 B14R1.727 CCC(O)COc1ccc(cc1I)I 7a_100010001573_100011218378 [0,1,0,0,0,0|1,1,0]=3 2953 B14R1.727 CCC(O)COc1ccc(cc1N)Br 34a_100000752626_100011218378 [0,1,0,0,0,0|1,1,0]=3 2954 B14R1.727 CCC(O)COc1ccc(cc1N)Br 7a_100000752626_100011218378 [0,1,0,0,0,0|1,1,0]=3 2955 B14R1.727 CCC(O)COc1ccc(cc1N)C 34a_100011215204_100011218378 [0,1,0,0,0,0|2,0,0]=3 2956 B14R1.727 CCC(O)COc1ccc(cc1N)C 7a_100011215204_100011218378 [0,1,0,0,0,0|2,0,0]=3 2957 B14R1.727 CCC(O)COc1ccc(cc1N)Cl 34a_100000210500_100011218378 [0,1,0,0,0,0|1,0,0]=2 2958 B14R1.727 CCC(O)COc1ccc(cc1N)Cl 7a_100000210500_100011218378 [0,1,0,0,0,0|1,0,0]=2 2959 B14R1.727 CCC(O)COc1ccc(cc1N)F 34a_100000759472_100011218378 [0,1,0,0,0,0|1,1,0]=3 2960 B14R1.727 CCC(O)COc1ccc(cc1N)F 7a_100000759472_100011218378 [0,1,0,0,0,0|1,1,0]=3 2961 B14R1.727 CCC(O)COc1ccc(cc1N)I 34a_100000753495_100011218378 [0,1,0,0,0,0|1,1,0]=3 2962 B14R1.727 CCC(O)COc1ccc(cc1N)I 7a_100000753495_100011218378 [0,1,0,0,0,0|1,1,0]=3 2963 B14R1.727 CCC(O)COc1ccc(cc1N)N 34a_100000725306_100011218378 [0,1,0,0,0,0|2,0,0]=3 2964 B14R1.727 CCC(O)COc1ccc(nc1Br)Br 34a_100009999766_100011218378 [0,1,0,0,0,0|2,1,0]=4 2965 B14R1.727 CCC(O)COc1ccc(nc1Br)Br 7a_100009999766_100011218378 [0,1,0,0,0,0|2,1,0]=4 2966 B14R1.727 CCC(O)COc1ccc(nc1Br)C 34a_100000702858_100011218378 [0,1,0,0,0,0|3,0,0]=4 2967 B14R1.727 CCC(O)COc1ccc(nc1Br)C 7a_100000702858_100011218378 [0,1,0,0,0,0|3,0,0]=4 2968 B14R1.727 CCC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100011218378 [0,1,0,0,0,0|2,0,0]=3 2969 B14R1.727 CCC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100011218378 [0,1,0,0,0,0|2,0,0]=3 2970 B14R1.727 CCC(O)COc1ccc(nc1Br)F 34a_100009887730_100011218378 [0,1,0,0,0,0|2,1,0]=4 2971 B14R1.727 CCC(O)COc1ccc(nc1Br)F 7a_100009887730_100011218378 [0,1,0,0,0,0|2,1,0]=4 2972 B14R1.727 CCC(O)COc1ccc(nc1Br)I 34a_100000725334_100011218378 [0,1,0,0,0,0|2,1,0]=4 2973 B14R1.727 CCC(O)COc1ccc(nc1Br)I 7a_100000725334_100011218378 [0,1,0,0,0,0|2,1,0]=4 2974 B14R1.727 CCC(O)COc1ccc(nc1C)Br 34a_100012002022_100011218378 [0,1,0,0,0,0|2,1,0]=4 2975 B14R1.727 CCC(O)COc1ccc(nc1C)Br 7a_100012002022_100011218378 [0,1,0,0,0,0|2,1,0]=4 2976 B14R1.727 CCC(O)COc1ccc(nc1C)C 34a_100011218912_100011218378 [0,1,0,0,0,0|3,0,0]=4 2977 B14R1.727 CCC(O)COc1ccc(nc1C)C 7a_100011218912_100011218378 [0,1,0,0,0,0|3,0,0]=4 2978 B14R1.727 CCC(O)COc1ccc(nc1C)Cl 34a_100012184626_100011218378 [0,1,0,0,0,0|2,0,0]=3 2979 B14R1.727 CCC(O)COc1ccc(nc1C)Cl 7a_100012184626_100011218378 [0,1,0,0,0,0|2,0,0]=3 2980 B14R1.727 CCC(O)COc1ccc(nc1C)F 34a_100009881036_100011218378 [0,1,0,0,0,0|2,1,0]=4 2981 B14R1.727 CCC(O)COc1ccc(nc1C)F 7a_100009881036_100011218378 [0,1,0,0,0,0|2,1,0]=4 2982 B14R1.727 CCC(O)COc1ccc(nc1C)I 34a_100010233687_100011218378 [0,1,0,0,0,0|2,1,0]=4 2983 B14R1.727 CCC(O)COc1ccc(nc1C)I 7a_100010233687_100011218378 [0,1,0,0,0,0|2,1,0]=4 2984 B14R1.727 CCC(O)COc1ccc(nc1Cl)Br 34a_100010246206_100011218378 [0,1,0,0,0,0|2,1,0]=4 2985 B14R1.727 CCC(O)COc1ccc(nc1Cl)Br 7a_100010246206_100011218378 [0,1,0,0,0,0|2,1,0]=4 2986 B14R1.727 CCC(O)COc1ccc(nc1Cl)C 34a_100000086286_100011218378 [0,1,0,0,0,0|3,0,0]=4 2987 B14R1.727 CCC(O)COc1ccc(nc1Cl)C 7a_100000086286_100011218378 [0,1,0,0,0,0|3,0,0]=4 2988 B14R1.727 CCC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100011218378 [0,1,0,0,0,0|2,0,0]=3 2989 B14R1.727 CCC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100011218378 [0,1,0,0,0,0|2,0,0]=3 2990 B14R1.727 CCC(O)COc1ccc(nc1Cl)I 34a_100000721234_100011218378 [0,1,0,0,0,0|2,1,0]=4 2991 B14R1.727 CCC(O)COc1ccc(nc1Cl)I 7a_100000721234_100011218378 [0,1,0,0,0,0|2,1,0]=4 2992 B14R1.727 CCC(O)COc1ccc(nc1F)Br 34a_100009819667_100011218378 [0,1,0,0,0,0|2,1,0]=4 2993 B14R1.727 CCC(O)COc1ccc(nc1F)Br 7a_100009819667_100011218378 [0,1,0,0,0,0|2,1,0]=4 2994 B14R1.727 CCC(O)COc1ccc(nc1F)C 34a_100000079963_100011218378 [0,1,0,0,0,0|3,0,0]=4 2995 B14R1.727 CCC(O)COc1ccc(nc1F)C 7a_100000079963_100011218378 [0,1,0,0,0,0|3,0,0]=4 2996 B14R1.727 CCC(O)COc1ccc(nc1F)Cl 34a_100009880201_100011218378 [0,1,0,0,0,0|2,0,0]=3 2997 B14R1.727 CCC(O)COc1ccc(nc1F)Cl 7a_100009880201_100011218378 [0,1,0,0,0,0|2,0,0]=3 2998 B14R1.727 CCC(O)COc1ccc(nc1F)F 34a_100000101184_100011218378 [0,1,0,0,0,0|2,1,0]=4 2999 B14R1.727 CCC(O)COc1ccc(nc1F)F 7a_100000101184_100011218378 [0,1,0,0,0,0|2,1,0]=4 3000 B14R1.727 CCC(O)COc1ccc(nc1I)Br 34a_100010253912_100011218378 [0,1,0,0,0,0|2,1,0]=4 3001 B14R1.727 CCC(O)COc1ccc(nc1I)Br 7a_100010253912_100011218378 [0,1,0,0,0,0|2,1,0]=4 3002 B14R1.727 CCC(O)COc1ccc(nc1I)C 34a_100000023897_100011218378 [0,1,0,0,0,0|3,0,0]=4 3003 B14R1.727 CCC(O)COc1ccc(nc1I)C 7a_100000023897_100011218378 [0,1,0,0,0,0|3,0,0]=4 3004 B14R1.727 CCC(O)COc1ccc(nc1I)Cl 34a_100000696390_100011218378 [0,1,0,0,0,0|2,0,0]=3 3005 B14R1.727 CCC(O)COc1ccc(nc1I)Cl 7a_100000696390_100011218378 [0,1,0,0,0,0|2,0,0]=3 3006 B14R1.727 CCC(O)COc1ccc(nc1I)F 34a_100010382442_100011218378 [0,1,0,0,0,0|2,1,0]=4 3007 B14R1.727 CCC(O)COc1ccc(nc1I)F 7a_100010382442_100011218378 [0,1,0,0,0,0|2,1,0]=4 3008 B14R1.727 CCC(O)COc1ccc(nc1N)Br 34a_100000685527_100011218378 [0,1,0,0,0,0|2,1,0]=4 3009 B14R1.727 CCC(O)COc1ccc(nc1N)Br 7a_100000685527_100011218378 [0,1,0,0,0,0|2,1,0]=4 3010 B14R1.727 CCC(O)COc1ccc(nc1N)C 34a_100000694039_100011218378 [0,1,0,0,0,0|3,0,0]=4 3011 B14R1.727 CCC(O)COc1ccc(nc1N)C 7a_100000694039_100011218378 [0,1,0,0,0,0|3,0,0]=4 3012 B14R1.727 CCC(O)COc1ccc(nc1N)Cl 34a_100000717809_100011218378 [0,1,0,0,0,0|2,0,0]=3 3013 B14R1.727 CCC(O)COc1ccc(nc1N)Cl 7a_100000717809_100011218378 [0,1,0,0,0,0|2,0,0]=3 3014 B14R1.727 CCC(O)COc1cnc(cc1Br)C 34a_100009843476_100011218378 [0,1,0,0,0,0|3,0,0]=4 3015 B14R1.727 CCC(O)COc1cnc(cc1Br)C 7a_100009843476_100011218378 [0,1,0,0,0,0|3,0,0]=4 3016 B14R1.727 CCC(O)COc1cnc(cc1C)C 34a_200000068632_100011218378 [0,1,0,0,0,0|3,0,0]=4 3017 B14R1.727 CCC(O)COc1cnc(cc1C)C 7a_200000068632_100011218378 [0,1,0,0,0,0|3,0,0]=4 3018 B14R1.727 CCC(O)COc1cnc(cc1C)Cl 34a_100000692680_100011218378 [0,1,0,0,0,0|2,0,0]=3 3019 B14R1.727 CCC(O)COc1cnc(cc1C)Cl 7a_100000692680_100011218378 [0,1,0,0,0,0|2,0,0]=3 3020 B14R1.727 CCC(O)COc1cnc(cc1C)F 34a_100009856773_100011218378 [0,1,0,0,0,0|2,1,0]=4 3021 B14R1.727 CCC(O)COc1cnc(cc1C)F 7a_100009856773_100011218378 [0,1,0,0,0,0|2,1,0]=4 3022 B14R1.727 CCC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100011218378 [0,1,0,0,0,0|2,0,0]=3 3023 B14R1.727 CCC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100011218378 [0,1,0,0,0,0|2,0,0]=3 3024 B14R1.727 CCC(O)COc1cnc(cc1F)F 34a_100009885687_100011218378 [0,1,0,0,0,0|2,1,0]=4 3025 B14R1.727 CCC(O)COc1cnc(cc1F)F 7a_100009885687_100011218378 [0,1,0,0,0,0|2,1,0]=4 3026 B14R1.727 CCC(O)COc1cnc(cc1I)Cl 34a_100000698892_100011218378 [0,1,0,0,0,0|2,0,0]=3 3027 B14R1.727 CCC(O)COc1cnc(cc1I)Cl 7a_100000698892_100011218378 [0,1,0,0,0,0|2,0,0]=3 3028 B14R1.727 CCC(O)COc1cnc(cc1N)Br 34a_100009819941_100011218378 [0,1,0,0,0,0|2,1,0]=4 3029 B14R1.727 CCC(O)COc1cnc(cc1N)Br 7a_100009819941_100011218378 [0,1,0,0,0,0|2,1,0]=4 3030 B14R1.727 CCC(O)COc1cnc(nc1Cl)Cl 34a_100010725077_100011218378 [0,1,0,0,0,0|3,0,0]=4 3031 B14R1.727 CCC(O)COc1cnc(nc1Cl)Cl 7a_100010725077_100011218378 [0,1,0,0,0,0|3,0,0]=4 3032 B14R1.727 CCC(O)COc1coc(cc1=O)C 34a_100000081520_100011218378 [0,1,0,0,0,0|3,0,0]=4 3033 B14R1.727 CCC(O)COc1ncc(cc1Br)Br 34a_100000701035_100011218378 [0,1,0,0,0,0|2,1,0]=4 3034 B14R1.727 CCC(O)COc1ncc(cc1Br)C 34a_100000719714_100011218378 [0,1,0,0,0,0|3,0,0]=4 3035 B14R1.727 CCC(O)COc1ncc(cc1C)Br 34a_100000685391_100011218378 [0,1,0,0,0,0|2,1,0]=4 3036 B14R1.727 CCC(O)COc1ncc(cc1Cl)Br 34a_100012339560_100011218378 [0,1,0,0,0,0|2,1,0]=4 3037 B14R1.727 CCC(O)COc1ncc(cc1Cl)F 34a_100009847679_100011218378 [0,1,0,0,0,0|2,1,0]=4 3038 B14R1.727 CCC(O)COc1ncc(cc1F)Cl 34a_100011998252_100011218378 [0,1,0,0,0,0|2,0,0]=3 3039 B14R1.727 CCC(O)COc1ncc(cc1F)F 34a_100012025737_100011218378 [0,1,0,0,0,0|2,1,0]=4 3040 B14R1.727 CCC(O)COc1ncc(cc1N)Br 34a_100000743729_100011218378 [0,1,0,0,0,0|2,1,0]=4 3041 B14R1.727 CCC(O)COc1ncc(cc1N)C 34a_100012000488_100011218378 [0,1,0,0,0,0|3,0,0]=4 3042 B14R1.727 CCC(O)COc1ncc(cc1N)Cl 34a_100011998249_100011218378 [0,1,0,0,0,0|2,0,0]=3 3043 B14R1.727 CCC(O)CSc1ccc(cc1Br)Br 62a_100011218378_100011484698 [0,1,0,0,0,0|1,2,0]=4 3044 B14R1.727 CCC(O)CSc1ccc(cc1Br)Br 62a_100011484698_100011218378 [0,1,0,0,0,0|1,2,0]=4 3045 B14R1.727 CCC(O)CSc1ccc(cc1Br)C 62a_100009813563_100011218378 [0,1,0,0,0,0|2,1,0]=4 3046 B14R1.727 CCC(O)CSc1ccc(cc1Br)C 62a_100011218378_100009813563 [0,1,0,0,0,0|2,1,0]=4 3047 B14R1.727 CCC(O)CSc1ccc(cc1Br)Cl 62a_100011218378_100011219703 [0,1,0,0,0,0|1,1,0]=3 3048 B14R1.727 CCC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100011218378 [0,1,0,0,0,0|1,1,0]=3 3049 B14R1.727 CCC(O)CSc1ccc(cc1Br)F 62a_100011217111_100011218378 [0,1,0,0,0,0|1,2,0]=4 3050 B14R1.727 CCC(O)CSc1ccc(cc1Br)F 62a_100011218378_100011217111 [0,1,0,0,0,0|1,2,0]=4 3051 B14R1.727 CCC(O)CSc1ccc(cc1Br)N 62a_100000750458_100011218378 [0,1,0,0,0,0|2,1,0]=4 3052 B14R1.727 CCC(O)CSc1ccc(cc1Br)N 62a_100011218378_100000750458 [0,1,0,0,0,0|2,1,0]=4 3053 B14R1.727 CCC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011218378 [0,1,0,0,0,0|2,1,0]=4 3054 B14R1.727 CCC(O)CSc1ccc(cc1Br)O 62a_100011218378_100000701344 [0,1,0,0,0,0|2,1,0]=4 3055 B14R1.727 CCC(O)CSc1ccc(cc1C)Br 62a_100000701812_100011218378 [0,1,0,0,0,0|1,2,0]=4 3056 B14R1.727 CCC(O)CSc1ccc(cc1C)Br 62a_100011218378_100000701812 [0,1,0,0,0,0|1,2,0]=4 3057 B14R1.727 CCC(O)CSc1ccc(cc1C)C 62a_100011217332_100011218378 [0,1,0,0,0,0|2,1,0]=4 3058 B14R1.727 CCC(O)CSc1ccc(cc1C)C 62a_100011218378_100011217332 [0,1,0,0,0,0|2,1,0]=4 3059 B14R1.727 CCC(O)CSc1ccc(cc1C)Cl 62a_100011218378_100011219607 [0,1,0,0,0,0|1,1,0]=3 3060 B14R1.727 CCC(O)CSc1ccc(cc1C)Cl 62a_100011219607_100011218378 [0,1,0,0,0,0|1,1,0]=3 3061 B14R1.727 CCC(O)CSc1ccc(cc1C)F 62a_100011205405_100011218378 [0,1,0,0,0,0|1,2,0]=4 3062 B14R1.727 CCC(O)CSc1ccc(cc1C)F 62a_100011218378_100011205405 [0,1,0,0,0,0|1,2,0]=4 3063 B14R1.727 CCC(O)CSc1ccc(cc1C)N 62a_100000210723_100011218378 [0,1,0,0,0,0|2,1,0]=4 3064 B14R1.727 CCC(O)CSc1ccc(cc1C)N 62a_100011218378_100000210723 [0,1,0,0,0,0|2,1,0]=4 3065 B14R1.727 CCC(O)CSc1ccc(cc1C)O 62a_100011218378_100000690111 [0,1,0,0,0,0|2,1,0]=4 3066 B14R1.727 CCC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011218378 [0,1,0,0,0,0|1,2,0]=4 3067 B14R1.727 CCC(O)CSc1ccc(cc1Cl)Br 62a_100011218378_100011216062 [0,1,0,0,0,0|1,2,0]=4 3068 B14R1.727 CCC(O)CSc1ccc(cc1Cl)C 62a_100011218378_100011263221 [0,1,0,0,0,0|2,1,0]=4 3069 B14R1.727 CCC(O)CSc1ccc(cc1Cl)C 62a_100011263221_100011218378 [0,1,0,0,0,0|2,1,0]=4 3070 B14R1.727 CCC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011218378 [0,1,0,0,0,0|1,1,0]=3 3071 B14R1.727 CCC(O)CSc1ccc(cc1Cl)Cl 62a_100011218378_100000699841 [0,1,0,0,0,0|1,1,0]=3 3072 B14R1.727 CCC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011218378 [0,1,0,0,0,0|1,2,0]=4 3073 B14R1.727 CCC(O)CSc1ccc(cc1Cl)F 62a_100011218378_100000733362 [0,1,0,0,0,0|1,2,0]=4 3074 B14R1.727 CCC(O)CSc1ccc(cc1Cl)N 62a_100000761885_100011218378 [0,1,0,0,0,0|2,1,0]=4 3075 B14R1.727 CCC(O)CSc1ccc(cc1Cl)N 62a_100011218378_100000761885 [0,1,0,0,0,0|2,1,0]=4 3076 B14R1.727 CCC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011218378 [0,1,0,0,0,0|2,1,0]=4 3077 B14R1.727 CCC(O)CSc1ccc(cc1Cl)O 62a_100011218378_100000047559 [0,1,0,0,0,0|2,1,0]=4 3078 B14R1.727 CCC(O)CSc1ccc(cc1F)Br 62a_100009814013_100011218378 [0,1,0,0,0,0|1,2,0]=4 3079 B14R1.727 CCC(O)CSc1ccc(cc1F)Br 62a_100011218378_100009814013 [0,1,0,0,0,0|1,2,0]=4 3080 B14R1.727 CCC(O)CSc1ccc(cc1F)C 62a_100011216119_100011218378 [0,1,0,0,0,0|2,1,0]=4 3081 B14R1.727 CCC(O)CSc1ccc(cc1F)C 62a_100011218378_100011216119 [0,1,0,0,0,0|2,1,0]=4 3082 B14R1.727 CCC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100011218378 [0,1,0,0,0,0|1,1,0]=3 3083 B14R1.727 CCC(O)CSc1ccc(cc1F)Cl 62a_100011218378_100011216042 [0,1,0,0,0,0|1,1,0]=3 3084 B14R1.727 CCC(O)CSc1ccc(cc1F)F 62a_100000750030_100011218378 [0,1,0,0,0,0|1,2,0]=4 3085 B14R1.727 CCC(O)CSc1ccc(cc1F)F 62a_100011218378_100000750030 [0,1,0,0,0,0|1,2,0]=4 3086 B14R1.727 CCC(O)CSc1ccc(cc1F)N 62a_100011218378_100011356925 [0,1,0,0,0,0|2,1,0]=4 3087 B14R1.727 CCC(O)CSc1ccc(cc1F)N 62a_100011356925_100011218378 [0,1,0,0,0,0|2,1,0]=4 3088 B14R1.727 CCC(O)CSc1ccc(cc1F)O 62a_100000755031_100011218378 [0,1,0,0,0,0|2,1,0]=4 3089 B14R1.727 CCC(O)CSc1ccc(cc1F)O 62a_100011218378_100000755031 [0,1,0,0,0,0|2,1,0]=4 3090 B14R1.727 CCC(O)CSc1ccc(cc1N)Br 62a_100000743836_100011218378 [0,1,0,0,0,0|1,2,0]=4 3091 B14R1.727 CCC(O)CSc1ccc(cc1N)Br 62a_100011218378_100000743836 [0,1,0,0,0,0|1,2,0]=4 3092 B14R1.727 CCC(O)CSc1ccc(cc1N)C 62a_100011216686_100011218378 [0,1,0,0,0,0|2,1,0]=4 3093 B14R1.727 CCC(O)CSc1ccc(cc1N)C 62a_100011218378_100011216686 [0,1,0,0,0,0|2,1,0]=4 3094 B14R1.727 CCC(O)CSc1ccc(cc1N)Cl 62a_100000761886_100011218378 [0,1,0,0,0,0|1,1,0]=3 3095 B14R1.727 CCC(O)CSc1ccc(cc1N)Cl 62a_100011218378_100000761886 [0,1,0,0,0,0|1,1,0]=3 3096 B14R1.727 CCC(O)CSc1ccc(cc1N)F 62a_100000687223_100011218378 [0,1,0,0,0,0|1,2,0]=4 3097 B14R1.727 CCC(O)CSc1ccc(cc1N)F 62a_100011218378_100000687223 [0,1,0,0,0,0|1,2,0]=4 3098 B14R1.727 CCC(O)CSc1ccc(cc1N)N 62a_100011218378_200012175722 [0,1,0,0,0,0|2,1,0]=4 3099 B14R1.727 CCC(O)CSc1ccc(cc1N)N 62a_200012175722_100011218378 [0,1,0,0,0,0|2,1,0]=4 3100 B14R1.727 CCC(O)CSc1ccc(cc1N)O 62a_100011218378_100011999798 [0,1,0,0,0,0|2,1,0]=4 3101 B14R1.727 CCC(O)CSc1ccc(cc1N)O 62a_100011999798_100011218378 [0,1,0,0,0,0|2,1,0]=4 3102 B14R1.727 CCC(O)CSc1ccc(cc1O)Br 62a_100011218378_100012344904 [0,1,0,0,0,0|1,2,0]=4 3103 B14R1.727 CCC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011218378 [0,1,0,0,0,0|1,2,0]=4 3104 B14R1.727 CCC(O)CSc1ccc(cc1O)C 62a_100011218378_100012002257 [0,1,0,0,0,0|2,1,0]=4 3105 B14R1.727 CCC(O)CSc1ccc(cc1O)C 62a_100012002257_100011218378 [0,1,0,0,0,0|2,1,0]=4 3106 B14R1.727 CCC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011218378 [0,1,0,0,0,0|1,1,0]=3 3107 B14R1.727 CCC(O)CSc1ccc(cc1O)Cl 62a_100011218378_100000050036 [0,1,0,0,0,0|1,1,0]=3 3108 B14R1.727 CCC(O)CSc1ccc(cc1O)F 62a_100000690578_100011218378 [0,1,0,0,0,0|1,2,0]=4 3109 B14R1.727 CCC(O)CSc1ccc(cc1O)F 62a_100011218378_100000690578 [0,1,0,0,0,0|1,2,0]=4 3110 B14R1.727 CCC(O)CSc1ccc(cc1O)O 62a_100011218378_100009813921 [0,1,0,0,0,0|2,1,0]=4 3111 B14R1.727 CCC(O)CSc1ccc(nc1C)Cl 62a_100000062408_100011218378 [0,1,0,0,0,0|2,1,0]=4 3112 B14R1.727 CCC(O)CSc1ccc(nc1C)Cl 62a_100011218378_100000062408 [0,1,0,0,0,0|2,1,0]=4 3113 B14R1.727 CCC(O)CSc1ccc(nc1Cl)Cl 62a_100011218378_100000043682 [0,1,0,0,0,0|2,1,0]=4 3114 B14R1.727 CCC(O)CSc1ccc(nc1F)Cl 62a_100010168078_100011218378 [0,1,0,0,0,0|2,1,0]=4 3115 B14R1.727 CCC(O)CSc1ccc(nc1F)Cl 62a_100011218378_100010168078 [0,1,0,0,0,0|2,1,0]=4 3116 B14R1.727 CCC(O)CSc1ccc(nc1N)Cl 62a_100010171640_100011218378 [0,1,0,0,0,0|2,1,0]=4 3117 B14R1.727 CCC(O)CSc1ccc(nc1N)Cl 62a_100011218378_100010171640 [0,1,0,0,0,0|2,1,0]=4 3118 B14R1.727 CCC(O)CSc1cnc(cc1C)Cl 62a_100010172789_100011218378 [0,1,0,0,0,0|2,1,0]=4 3119 B14R1.727 CCC(O)CSc1cnc(cc1C)Cl 62a_100011218378_100010172789 [0,1,0,0,0,0|2,1,0]=4 3120 B14R1.727 CCC(O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100011218378 [0,1,0,0,0,0|2,1,0]=4 3121 B14R1.727 CCC(O)CSc1cnc(cc1Cl)Cl 62a_100011218378_100010200927 [0,1,0,0,0,0|2,1,0]=4 3122 B14R1.727 CCC(O)CSc1cnc(cc1F)Cl 62a_100010128100_100011218378 [0,1,0,0,0,0|2,1,0]=4 3123 B14R1.727 CCC(O)CSc1cnc(cc1F)Cl 62a_100011218378_100010128100 [0,1,0,0,0,0|2,1,0]=4 3124 B14R1.727 CCC(O)CSc1cnc(cc1N)Cl 62a_100010209552_100011218378 [0,1,0,0,0,0|2,1,0]=4 3125 B14R1.727 CCC(O)CSc1cnc(cc1N)Cl 62a_100011218378_100010209552 [0,1,0,0,0,0|2,1,0]=4 3126 B14R1.727 CCC(O)CSc1ncc(cc1Br)Cl 62a_100011218378_100012154958 [0,1,0,0,0,0|2,1,0]=4 3127 B14R1.727 CCC(O)CSc1ncc(cc1Br)Cl 62a_100012154958_100011218378 [0,1,0,0,0,0|2,1,0]=4 3128 B14R1.727 CCC(O)CSc1ncc(cc1F)Cl 62a_100011218378_100012348686 [0,1,0,0,0,0|2,1,0]=4 3129 B14R1.727 CCC(O)CSc1ncc(cc1F)Cl 62a_100012348686_100011218378 [0,1,0,0,0,0|2,1,0]=4 3130 B14R1.727 CCC(O)CSc1ncc(cc1O)Cl 62a_100010233512_100011218378 [0,1,0,0,0,0|2,1,0]=4 3131 B14R1.727 CCC(O)CSc1ncc(cc1O)Cl 62a_100011218378_100010233512 [0,1,0,0,0,0|2,1,0]=4 3132 B14R1.727 CC[C@H](C)CNc1ccc(cc1Br)Cl 34a_100000752454_100009816398 [0,1,0,0,0,0|3,0,0]=4 3133 B14R1.727 CC[C@H](C)CNc1ccc(cc1C)Cl 34a_100000210418_100009816398 [0,1,0,0,0,0|3,0,0]=4 3134 B14R1.727 CC[C@H](C)CNc1ccc(cc1C)Cl 7a_100000210418_100009816398 [0,1,0,0,0,0|3,0,0]=4 3135 B14R1.727 CC[C@H](C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009816398 [0,1,0,0,0,0|3,0,0]=4 3136 B14R1.727 CC[C@H](C)CNc1ccc(cc1F)Cl 34a_100000211020_100009816398 [0,1,0,0,0,0|3,0,0]=4 3137 B14R1.727 CC[C@H](C)CNc1ccc(cc1I)Cl 34a_100000761889_100009816398 [0,1,0,0,0,0|3,0,0]=4 3138 B14R1.727 CC[C@H](C)CNc1ccc(cc1O)Cl 34a_100000185728_100009816398 [0,1,0,0,0,0|3,0,0]=4 3139 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)Br 34a_100000188717_100009816398 [0,1,0,0,0,0|2,1,0]=4 3140 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)Br 7a_100000188717_100009816398 [0,1,0,0,0,0|2,1,0]=4 3141 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)C 34a_100000210800_100009816398 [0,1,0,0,0,0|3,0,0]=4 3142 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)C 7a_100000210800_100009816398 [0,1,0,0,0,0|3,0,0]=4 3143 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)Cl 34a_100000211998_100009816398 [0,1,0,0,0,0|2,0,0]=3 3144 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)Cl 7a_100000211998_100009816398 [0,1,0,0,0,0|2,0,0]=3 3145 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)F 34a_100000211999_100009816398 [0,1,0,0,0,0|2,1,0]=4 3146 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)F 7a_100000211999_100009816398 [0,1,0,0,0,0|2,1,0]=4 3147 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)I 34a_100012361655_100009816398 [0,1,0,0,0,0|2,1,0]=4 3148 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)I 7a_100012361655_100009816398 [0,1,0,0,0,0|2,1,0]=4 3149 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)N 34a_100011534360_100009816398 [0,1,0,0,0,0|3,0,0]=4 3150 B14R1.727 CC[C@H](C)COc1ccc(cc1Br)N 7a_100011534360_100009816398 [0,1,0,0,0,0|3,0,0]=4 3151 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Br 34a_100000186361_100009816398 [0,1,0,0,0,0|2,1,0]=4 3152 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Br 7a_100000186361_100009816398 [0,1,0,0,0,0|2,1,0]=4 3153 B14R1.727 CC[C@H](C)COc1ccc(cc1C)C 34a_100000211776_100009816398 [0,1,0,0,0,0|3,0,0]=4 3154 B14R1.727 CC[C@H](C)COc1ccc(cc1C)C 7a_100000211776_100009816398 [0,1,0,0,0,0|3,0,0]=4 3155 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Cl 34a_100000211091_100009816398 [0,1,0,0,0,0|2,0,0]=3 3156 B14R1.727 CC[C@H](C)COc1ccc(cc1C)Cl 7a_100000211091_100009816398 [0,1,0,0,0,0|2,0,0]=3 3157 B14R1.727 CC[C@H](C)COc1ccc(cc1C)F 34a_100000764316_100009816398 [0,1,0,0,0,0|2,1,0]=4 3158 B14R1.727 CC[C@H](C)COc1ccc(cc1C)F 7a_100000764316_100009816398 [0,1,0,0,0,0|2,1,0]=4 3159 B14R1.727 CC[C@H](C)COc1ccc(cc1C)I 34a_100011218673_100009816398 [0,1,0,0,0,0|2,1,0]=4 3160 B14R1.727 CC[C@H](C)COc1ccc(cc1C)I 7a_100011218673_100009816398 [0,1,0,0,0,0|2,1,0]=4 3161 B14R1.727 CC[C@H](C)COc1ccc(cc1C)N 34a_100011218179_100009816398 [0,1,0,0,0,0|3,0,0]=4 3162 B14R1.727 CC[C@H](C)COc1ccc(cc1C)N 7a_100011218179_100009816398 [0,1,0,0,0,0|3,0,0]=4 3163 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)Br 34a_100000186472_100009816398 [0,1,0,0,0,0|2,1,0]=4 3164 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)Br 7a_100000186472_100009816398 [0,1,0,0,0,0|2,1,0]=4 3165 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)C 34a_100000749699_100009816398 [0,1,0,0,0,0|3,0,0]=4 3166 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)C 7a_100000749699_100009816398 [0,1,0,0,0,0|3,0,0]=4 3167 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)Cl 34a_100015191787_100009816398 [0,1,0,0,0,0|2,0,0]=3 3168 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)Cl 7a_100015191787_100009816398 [0,1,0,0,0,0|2,0,0]=3 3169 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)F 34a_100000212004_100009816398 [0,1,0,0,0,0|2,1,0]=4 3170 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)F 7a_100000212004_100009816398 [0,1,0,0,0,0|2,1,0]=4 3171 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)I 34a_100012360047_100009816398 [0,1,0,0,0,0|2,1,0]=4 3172 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)I 7a_100012360047_100009816398 [0,1,0,0,0,0|2,1,0]=4 3173 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)N 34a_100000744943_100009816398 [0,1,0,0,0,0|3,0,0]=4 3174 B14R1.727 CC[C@H](C)COc1ccc(cc1Cl)N 7a_100000744943_100009816398 [0,1,0,0,0,0|3,0,0]=4 3175 B14R1.727 CC[C@H](C)COc1ccc(cc1F)Br 34a_100000185481_100009816398 [0,1,0,0,0,0|2,1,0]=4 3176 B14R1.727 CC[C@H](C)COc1ccc(cc1F)Br 7a_100000185481_100009816398 [0,1,0,0,0,0|2,1,0]=4 3177 B14R1.727 CC[C@H](C)COc1ccc(cc1F)C 34a_100011216688_100009816398 [0,1,0,0,0,0|3,0,0]=4 3178 B14R1.727 CC[C@H](C)COc1ccc(cc1F)C 7a_100011216688_100009816398 [0,1,0,0,0,0|3,0,0]=4 3179 B14R1.727 CC[C@H](C)COc1ccc(cc1F)Cl 34a_100000230166_100009816398 [0,1,0,0,0,0|2,0,0]=3 3180 B14R1.727 CC[C@H](C)COc1ccc(cc1F)Cl 7a_100000230166_100009816398 [0,1,0,0,0,0|2,0,0]=3 3181 B14R1.727 CC[C@H](C)COc1ccc(cc1F)F 34a_100000230127_100009816398 [0,1,0,0,0,0|2,1,0]=4 3182 B14R1.727 CC[C@H](C)COc1ccc(cc1F)F 7a_100000230127_100009816398 [0,1,0,0,0,0|2,1,0]=4 3183 B14R1.727 CC[C@H](C)COc1ccc(cc1F)I 34a_100011356965_100009816398 [0,1,0,0,0,0|2,1,0]=4 3184 B14R1.727 CC[C@H](C)COc1ccc(cc1F)I 7a_100011356965_100009816398 [0,1,0,0,0,0|2,1,0]=4 3185 B14R1.727 CC[C@H](C)COc1ccc(cc1F)N 34a_100011220035_100009816398 [0,1,0,0,0,0|3,0,0]=4 3186 B14R1.727 CC[C@H](C)COc1ccc(cc1F)N 7a_100011220035_100009816398 [0,1,0,0,0,0|3,0,0]=4 3187 B14R1.727 CC[C@H](C)COc1ccc(cc1I)Br 34a_100012355227_100009816398 [0,1,0,0,0,0|2,1,0]=4 3188 B14R1.727 CC[C@H](C)COc1ccc(cc1I)Br 7a_100012355227_100009816398 [0,1,0,0,0,0|2,1,0]=4 3189 B14R1.727 CC[C@H](C)COc1ccc(cc1I)C 34a_100000765521_100009816398 [0,1,0,0,0,0|3,0,0]=4 3190 B14R1.727 CC[C@H](C)COc1ccc(cc1I)C 7a_100000765521_100009816398 [0,1,0,0,0,0|3,0,0]=4 3191 B14R1.727 CC[C@H](C)COc1ccc(cc1I)Cl 34a_100011356953_100009816398 [0,1,0,0,0,0|2,0,0]=3 3192 B14R1.727 CC[C@H](C)COc1ccc(cc1I)Cl 7a_100011356953_100009816398 [0,1,0,0,0,0|2,0,0]=3 3193 B14R1.727 CC[C@H](C)COc1ccc(cc1I)F 34a_100012355409_100009816398 [0,1,0,0,0,0|2,1,0]=4 3194 B14R1.727 CC[C@H](C)COc1ccc(cc1I)F 7a_100012355409_100009816398 [0,1,0,0,0,0|2,1,0]=4 3195 B14R1.727 CC[C@H](C)COc1ccc(cc1I)I 7a_100010001573_100009816398 [0,1,0,0,0,0|2,1,0]=4 3196 B14R1.727 CC[C@H](C)COc1ccc(cc1N)Br 34a_100000752626_100009816398 [0,1,0,0,0,0|2,1,0]=4 3197 B14R1.727 CC[C@H](C)COc1ccc(cc1N)Br 7a_100000752626_100009816398 [0,1,0,0,0,0|2,1,0]=4 3198 B14R1.727 CC[C@H](C)COc1ccc(cc1N)C 34a_100011215204_100009816398 [0,1,0,0,0,0|3,0,0]=4 3199 B14R1.727 CC[C@H](C)COc1ccc(cc1N)C 7a_100011215204_100009816398 [0,1,0,0,0,0|3,0,0]=4 3200 B14R1.727 CC[C@H](C)COc1ccc(cc1N)Cl 34a_100000210500_100009816398 [0,1,0,0,0,0|2,0,0]=3 3201 B14R1.727 CC[C@H](C)COc1ccc(cc1N)Cl 7a_100000210500_100009816398 [0,1,0,0,0,0|2,0,0]=3 3202 B14R1.727 CC[C@H](C)COc1ccc(cc1N)F 34a_100000759472_100009816398 [0,1,0,0,0,0|2,1,0]=4 3203 B14R1.727 CC[C@H](C)COc1ccc(cc1N)F 7a_100000759472_100009816398 [0,1,0,0,0,0|2,1,0]=4 3204 B14R1.727 CC[C@H](C)COc1ccc(cc1N)I 34a_100000753495_100009816398 [0,1,0,0,0,0|2,1,0]=4 3205 B14R1.727 CC[C@H](C)COc1ccc(cc1N)I 7a_100000753495_100009816398 [0,1,0,0,0,0|2,1,0]=4 3206 B14R1.727 CC[C@H](C)COc1ccc(cc1N)N 34a_100000725306_100009816398 [0,1,0,0,0,0|3,0,0]=4 3207 B14R1.727 CC[C@H](C)COc1ccc(nc1Br)Cl 34a_100010219353_100009816398 [0,1,0,0,0,0|3,0,0]=4 3208 B14R1.727 CC[C@H](C)COc1ccc(nc1Br)Cl 7a_100010219353_100009816398 [0,1,0,0,0,0|3,0,0]=4 3209 B14R1.727 CC[C@H](C)COc1ccc(nc1C)Cl 34a_100012184626_100009816398 [0,1,0,0,0,0|3,0,0]=4 3210 B14R1.727 CC[C@H](C)COc1ccc(nc1C)Cl 7a_100012184626_100009816398 [0,1,0,0,0,0|3,0,0]=4 3211 B14R1.727 CC[C@H](C)COc1ccc(nc1Cl)Cl 34a_100000101165_100009816398 [0,1,0,0,0,0|3,0,0]=4 3212 B14R1.727 CC[C@H](C)COc1ccc(nc1Cl)Cl 7a_100000101165_100009816398 [0,1,0,0,0,0|3,0,0]=4 3213 B14R1.727 CC[C@H](C)COc1ccc(nc1F)Cl 34a_100009880201_100009816398 [0,1,0,0,0,0|3,0,0]=4 3214 B14R1.727 CC[C@H](C)COc1ccc(nc1F)Cl 7a_100009880201_100009816398 [0,1,0,0,0,0|3,0,0]=4 3215 B14R1.727 CC[C@H](C)COc1ccc(nc1I)Cl 34a_100000696390_100009816398 [0,1,0,0,0,0|3,0,0]=4 3216 B14R1.727 CC[C@H](C)COc1ccc(nc1I)Cl 7a_100000696390_100009816398 [0,1,0,0,0,0|3,0,0]=4 3217 B14R1.727 CC[C@H](C)COc1ccc(nc1N)Cl 34a_100000717809_100009816398 [0,1,0,0,0,0|3,0,0]=4 3218 B14R1.727 CC[C@H](C)COc1ccc(nc1N)Cl 7a_100000717809_100009816398 [0,1,0,0,0,0|3,0,0]=4 3219 B14R1.727 CC[C@H](C)COc1cnc(cc1C)Cl 34a_100000692680_100009816398 [0,1,0,0,0,0|3,0,0]=4 3220 B14R1.727 CC[C@H](C)COc1cnc(cc1C)Cl 7a_100000692680_100009816398 [0,1,0,0,0,0|3,0,0]=4 3221 B14R1.727 CC[C@H](C)COc1cnc(cc1Cl)Cl 34a_100009868576_100009816398 [0,1,0,0,0,0|3,0,0]=4 3222 B14R1.727 CC[C@H](C)COc1cnc(cc1Cl)Cl 7a_100009868576_100009816398 [0,1,0,0,0,0|3,0,0]=4 3223 B14R1.727 CC[C@H](C)COc1cnc(cc1I)Cl 34a_100000698892_100009816398 [0,1,0,0,0,0|3,0,0]=4 3224 B14R1.727 CC[C@H](C)COc1cnc(cc1I)Cl 7a_100000698892_100009816398 [0,1,0,0,0,0|3,0,0]=4 3225 B14R1.727 CC[C@H](C)COc1ncc(cc1F)Cl 34a_100011998252_100009816398 [0,1,0,0,0,0|3,0,0]=4 3226 B14R1.727 CC[C@H](C)COc1ncc(cc1N)Cl 34a_100011998249_100009816398 [0,1,0,0,0,0|3,0,0]=4 3227 B14R1.727 CC[C@H](C)CSc1ccc(cc1C)Cl 62a_100009816398_100011219607 [0,1,0,0,0,0|2,1,0]=4 3228 B14R1.727 CC[C@H](C)CSc1ccc(cc1C)Cl 62a_100011219607_100009816398 [0,1,0,0,0,0|2,1,0]=4 3229 B14R1.727 CC[C@H](C)CSc1ccc(cc1F)Cl 62a_100009816398_100011216042 [0,1,0,0,0,0|2,1,0]=4 3230 B14R1.727 CC[C@H](C)CSc1ccc(cc1F)Cl 62a_100011216042_100009816398 [0,1,0,0,0,0|2,1,0]=4 3231 B14R1.727 CC[C@H](C)CSc1ccc(cc1N)Cl 62a_100000761886_100009816398 [0,1,0,0,0,0|2,1,0]=4 3232 B14R1.727 CC[C@H](C)CSc1ccc(cc1N)Cl 62a_100009816398_100000761886 [0,1,0,0,0,0|2,1,0]=4 3233 B14R1.727 CC[C@H](C)CSc1ccc(cc1O)Cl 62a_100000050036_100009816398 [0,1,0,0,0,0|2,1,0]=4 3234 B14R1.727 CC[C@H](C)CSc1ccc(cc1O)Cl 62a_100009816398_100000050036 [0,1,0,0,0,0|2,1,0]=4 3235 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Br)Br 34a_100000211012_100000059175 [0,1,0,0,0,0|2,1,0]=4 3236 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Br)Cl 34a_100000752454_100000059175 [0,1,0,0,0,0|2,0,0]=3 3237 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Br)F 34a_100000738039_100000059175 [0,1,0,0,0,0|2,1,0]=4 3238 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Br)O 34a_100012001276_100000059175 [0,1,0,0,0,0|3,0,0]=4 3239 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Cl)Br 34a_100000211467_100000059175 [0,1,0,0,0,0|2,1,0]=4 3240 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000059175 [0,1,0,0,0,0|2,0,0]=3 3241 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Cl)F 34a_100000212003_100000059175 [0,1,0,0,0,0|2,1,0]=4 3242 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Cl)I 34a_100011218065_100000059175 [0,1,0,0,0,0|2,1,0]=4 3243 B14R1.727 C[C@@H](CO)CNc1ccc(cc1Cl)O 34a_100011215599_100000059175 [0,1,0,0,0,0|3,0,0]=4 3244 B14R1.727 C[C@@H](CO)CNc1ccc(cc1F)Br 34a_100000210722_100000059175 [0,1,0,0,0,0|2,1,0]=4 3245 B14R1.727 C[C@@H](CO)CNc1ccc(cc1F)Cl 34a_100000211020_100000059175 [0,1,0,0,0,0|2,0,0]=3 3246 B14R1.727 C[C@@H](CO)CNc1ccc(cc1F)F 34a_100000210720_100000059175 [0,1,0,0,0,0|2,1,0]=4 3247 B14R1.727 C[C@@H](CO)CNc1ccc(cc1F)I 34a_100011215594_100000059175 [0,1,0,0,0,0|2,1,0]=4 3248 B14R1.727 C[C@@H](CO)CNc1ccc(cc1F)O 34a_100000759473_100000059175 [0,1,0,0,0,0|3,0,0]=4 3249 B14R1.727 C[C@@H](CO)CNc1ccc(cc1I)Br 34a_100000187925_100000059175 [0,1,0,0,0,0|2,1,0]=4 3250 B14R1.727 C[C@@H](CO)CNc1ccc(cc1I)Cl 34a_100000761889_100000059175 [0,1,0,0,0,0|2,0,0]=3 3251 B14R1.727 C[C@@H](CO)CNc1ccc(cc1I)F 34a_100000760547_100000059175 [0,1,0,0,0,0|2,1,0]=4 3252 B14R1.727 C[C@@H](CO)CNc1ccc(cc1I)O 34a_100010084370_100000059175 [0,1,0,0,0,0|3,0,0]=4 3253 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)Br 34a_100000739049_100000059175 [0,1,0,0,0,0|2,1,0]=4 3254 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)Cl 34a_100000185728_100000059175 [0,1,0,0,0,0|2,0,0]=3 3255 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)F 34a_100000753323_100000059175 [0,1,0,0,0,0|2,1,0]=4 3256 B14R1.727 C[C@@H](CO)CNc1ccc(cc1O)O 34a_100000106777_100000059175 [0,1,0,0,0,0|3,0,0]=4 3257 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Br 34a_100000188717_100000059175 [0,1,0,0,0,0|1,1,0]=3 3258 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Br 7a_100000188717_100000059175 [0,1,0,0,0,0|1,1,0]=3 3259 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Cl 34a_100000211998_100000059175 [0,1,0,0,0,0|1,0,0]=2 3260 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)Cl 7a_100000211998_100000059175 [0,1,0,0,0,0|1,0,0]=2 3261 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)F 34a_100000211999_100000059175 [0,1,0,0,0,0|1,1,0]=3 3262 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)F 7a_100000211999_100000059175 [0,1,0,0,0,0|1,1,0]=3 3263 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)I 34a_100012361655_100000059175 [0,1,0,0,0,0|1,1,0]=3 3264 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)I 7a_100012361655_100000059175 [0,1,0,0,0,0|1,1,0]=3 3265 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)N 34a_100011534360_100000059175 [0,1,0,0,0,0|2,0,0]=3 3266 B14R1.727 C[C@@H](CO)COc1ccc(cc1Br)N 7a_100011534360_100000059175 [0,1,0,0,0,0|2,0,0]=3 3267 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Br 34a_100000186472_100000059175 [0,1,0,0,0,0|1,1,0]=3 3268 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Br 7a_100000186472_100000059175 [0,1,0,0,0,0|1,1,0]=3 3269 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Cl 34a_100015191787_100000059175 [0,1,0,0,0,0|1,0,0]=2 3270 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)Cl 7a_100015191787_100000059175 [0,1,0,0,0,0|1,0,0]=2 3271 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)F 34a_100000212004_100000059175 [0,1,0,0,0,0|1,1,0]=3 3272 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)F 7a_100000212004_100000059175 [0,1,0,0,0,0|1,1,0]=3 3273 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)I 34a_100012360047_100000059175 [0,1,0,0,0,0|1,1,0]=3 3274 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)I 7a_100012360047_100000059175 [0,1,0,0,0,0|1,1,0]=3 3275 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)N 34a_100000744943_100000059175 [0,1,0,0,0,0|2,0,0]=3 3276 B14R1.727 C[C@@H](CO)COc1ccc(cc1Cl)N 7a_100000744943_100000059175 [0,1,0,0,0,0|2,0,0]=3 3277 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Br 34a_100000185481_100000059175 [0,1,0,0,0,0|1,1,0]=3 3278 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Br 7a_100000185481_100000059175 [0,1,0,0,0,0|1,1,0]=3 3279 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Cl 34a_100000230166_100000059175 [0,1,0,0,0,0|1,0,0]=2 3280 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)Cl 7a_100000230166_100000059175 [0,1,0,0,0,0|1,0,0]=2 3281 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)F 34a_100000230127_100000059175 [0,1,0,0,0,0|1,1,0]=3 3282 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)F 7a_100000230127_100000059175 [0,1,0,0,0,0|1,1,0]=3 3283 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)I 34a_100011356965_100000059175 [0,1,0,0,0,0|1,1,0]=3 3284 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)I 7a_100011356965_100000059175 [0,1,0,0,0,0|1,1,0]=3 3285 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)N 34a_100011220035_100000059175 [0,1,0,0,0,0|2,0,0]=3 3286 B14R1.727 C[C@@H](CO)COc1ccc(cc1F)N 7a_100011220035_100000059175 [0,1,0,0,0,0|2,0,0]=3 3287 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Br 34a_100012355227_100000059175 [0,1,0,0,0,0|1,1,0]=3 3288 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Br 7a_100012355227_100000059175 [0,1,0,0,0,0|1,1,0]=3 3289 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Cl 34a_100011356953_100000059175 [0,1,0,0,0,0|1,0,0]=2 3290 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)Cl 7a_100011356953_100000059175 [0,1,0,0,0,0|1,0,0]=2 3291 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)F 34a_100012355409_100000059175 [0,1,0,0,0,0|1,1,0]=3 3292 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)F 7a_100012355409_100000059175 [0,1,0,0,0,0|1,1,0]=3 3293 B14R1.727 C[C@@H](CO)COc1ccc(cc1I)I 7a_100010001573_100000059175 [0,1,0,0,0,0|1,1,0]=3 3294 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Br 34a_100000752626_100000059175 [0,1,0,0,0,0|1,1,0]=3 3295 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Br 7a_100000752626_100000059175 [0,1,0,0,0,0|1,1,0]=3 3296 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Cl 34a_100000210500_100000059175 [0,1,0,0,0,0|1,0,0]=2 3297 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)Cl 7a_100000210500_100000059175 [0,1,0,0,0,0|1,0,0]=2 3298 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)F 34a_100000759472_100000059175 [0,1,0,0,0,0|1,1,0]=3 3299 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)F 7a_100000759472_100000059175 [0,1,0,0,0,0|1,1,0]=3 3300 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)I 34a_100000753495_100000059175 [0,1,0,0,0,0|1,1,0]=3 3301 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)I 7a_100000753495_100000059175 [0,1,0,0,0,0|1,1,0]=3 3302 B14R1.727 C[C@@H](CO)COc1ccc(cc1N)N 34a_100000725306_100000059175 [0,1,0,0,0,0|2,0,0]=3 3303 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)Br 34a_100009999766_100000059175 [0,1,0,0,0,0|2,1,0]=4 3304 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)Br 7a_100009999766_100000059175 [0,1,0,0,0,0|2,1,0]=4 3305 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)Cl 34a_100010219353_100000059175 [0,1,0,0,0,0|2,0,0]=3 3306 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)Cl 7a_100010219353_100000059175 [0,1,0,0,0,0|2,0,0]=3 3307 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)F 34a_100009887730_100000059175 [0,1,0,0,0,0|2,1,0]=4 3308 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)F 7a_100009887730_100000059175 [0,1,0,0,0,0|2,1,0]=4 3309 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)I 34a_100000725334_100000059175 [0,1,0,0,0,0|2,1,0]=4 3310 B14R1.727 C[C@@H](CO)COc1ccc(nc1Br)I 7a_100000725334_100000059175 [0,1,0,0,0,0|2,1,0]=4 3311 B14R1.727 C[C@@H](CO)COc1ccc(nc1Cl)Br 34a_100010246206_100000059175 [0,1,0,0,0,0|2,1,0]=4 3312 B14R1.727 C[C@@H](CO)COc1ccc(nc1Cl)Br 7a_100010246206_100000059175 [0,1,0,0,0,0|2,1,0]=4 3313 B14R1.727 C[C@@H](CO)COc1ccc(nc1Cl)Cl 34a_100000101165_100000059175 [0,1,0,0,0,0|2,0,0]=3 3314 B14R1.727 C[C@@H](CO)COc1ccc(nc1Cl)Cl 7a_100000101165_100000059175 [0,1,0,0,0,0|2,0,0]=3 3315 B14R1.727 C[C@@H](CO)COc1ccc(nc1Cl)I 34a_100000721234_100000059175 [0,1,0,0,0,0|2,1,0]=4 3316 B14R1.727 C[C@@H](CO)COc1ccc(nc1Cl)I 7a_100000721234_100000059175 [0,1,0,0,0,0|2,1,0]=4 3317 B14R1.727 C[C@@H](CO)COc1ccc(nc1F)Br 34a_100009819667_100000059175 [0,1,0,0,0,0|2,1,0]=4 3318 B14R1.727 C[C@@H](CO)COc1ccc(nc1F)Br 7a_100009819667_100000059175 [0,1,0,0,0,0|2,1,0]=4 3319 B14R1.727 C[C@@H](CO)COc1ccc(nc1F)Cl 34a_100009880201_100000059175 [0,1,0,0,0,0|2,0,0]=3 3320 B14R1.727 C[C@@H](CO)COc1ccc(nc1F)Cl 7a_100009880201_100000059175 [0,1,0,0,0,0|2,0,0]=3 3321 B14R1.727 C[C@@H](CO)COc1ccc(nc1F)F 34a_100000101184_100000059175 [0,1,0,0,0,0|2,1,0]=4 3322 B14R1.727 C[C@@H](CO)COc1ccc(nc1F)F 7a_100000101184_100000059175 [0,1,0,0,0,0|2,1,0]=4 3323 B14R1.727 C[C@@H](CO)COc1ccc(nc1I)Br 34a_100010253912_100000059175 [0,1,0,0,0,0|2,1,0]=4 3324 B14R1.727 C[C@@H](CO)COc1ccc(nc1I)Br 7a_100010253912_100000059175 [0,1,0,0,0,0|2,1,0]=4 3325 B14R1.727 C[C@@H](CO)COc1ccc(nc1I)Cl 34a_100000696390_100000059175 [0,1,0,0,0,0|2,0,0]=3 3326 B14R1.727 C[C@@H](CO)COc1ccc(nc1I)Cl 7a_100000696390_100000059175 [0,1,0,0,0,0|2,0,0]=3 3327 B14R1.727 C[C@@H](CO)COc1ccc(nc1I)F 34a_100010382442_100000059175 [0,1,0,0,0,0|2,1,0]=4 3328 B14R1.727 C[C@@H](CO)COc1ccc(nc1I)F 7a_100010382442_100000059175 [0,1,0,0,0,0|2,1,0]=4 3329 B14R1.727 C[C@@H](CO)COc1ccc(nc1N)Br 34a_100000685527_100000059175 [0,1,0,0,0,0|2,1,0]=4 3330 B14R1.727 C[C@@H](CO)COc1ccc(nc1N)Br 7a_100000685527_100000059175 [0,1,0,0,0,0|2,1,0]=4 3331 B14R1.727 C[C@@H](CO)COc1ccc(nc1N)Cl 34a_100000717809_100000059175 [0,1,0,0,0,0|2,0,0]=3 3332 B14R1.727 C[C@@H](CO)COc1ccc(nc1N)Cl 7a_100000717809_100000059175 [0,1,0,0,0,0|2,0,0]=3 3333 B14R1.727 C[C@@H](CO)COc1cnc(cc1Cl)Cl 34a_100009868576_100000059175 [0,1,0,0,0,0|2,0,0]=3 3334 B14R1.727 C[C@@H](CO)COc1cnc(cc1Cl)Cl 7a_100009868576_100000059175 [0,1,0,0,0,0|2,0,0]=3 3335 B14R1.727 C[C@@H](CO)COc1cnc(cc1F)F 34a_100009885687_100000059175 [0,1,0,0,0,0|2,1,0]=4 3336 B14R1.727 C[C@@H](CO)COc1cnc(cc1F)F 7a_100009885687_100000059175 [0,1,0,0,0,0|2,1,0]=4 3337 B14R1.727 C[C@@H](CO)COc1cnc(cc1I)Cl 34a_100000698892_100000059175 [0,1,0,0,0,0|2,0,0]=3 3338 B14R1.727 C[C@@H](CO)COc1cnc(cc1I)Cl 7a_100000698892_100000059175 [0,1,0,0,0,0|2,0,0]=3 3339 B14R1.727 C[C@@H](CO)COc1cnc(cc1N)Br 34a_100009819941_100000059175 [0,1,0,0,0,0|2,1,0]=4 3340 B14R1.727 C[C@@H](CO)COc1cnc(cc1N)Br 7a_100009819941_100000059175 [0,1,0,0,0,0|2,1,0]=4 3341 B14R1.727 C[C@@H](CO)COc1cnc(nc1Cl)Cl 34a_100010725077_100000059175 [0,1,0,0,0,0|3,0,0]=4 3342 B14R1.727 C[C@@H](CO)COc1cnc(nc1Cl)Cl 7a_100010725077_100000059175 [0,1,0,0,0,0|3,0,0]=4 3343 B14R1.727 C[C@@H](CO)COc1ncc(cc1Br)Br 34a_100000701035_100000059175 [0,1,0,0,0,0|2,1,0]=4 3344 B14R1.727 C[C@@H](CO)COc1ncc(cc1Cl)Br 34a_100012339560_100000059175 [0,1,0,0,0,0|2,1,0]=4 3345 B14R1.727 C[C@@H](CO)COc1ncc(cc1Cl)F 34a_100009847679_100000059175 [0,1,0,0,0,0|2,1,0]=4 3346 B14R1.727 C[C@@H](CO)COc1ncc(cc1F)Cl 34a_100011998252_100000059175 [0,1,0,0,0,0|2,0,0]=3 3347 B14R1.727 C[C@@H](CO)COc1ncc(cc1F)F 34a_100012025737_100000059175 [0,1,0,0,0,0|2,1,0]=4 3348 B14R1.727 C[C@@H](CO)COc1ncc(cc1N)Br 34a_100000743729_100000059175 [0,1,0,0,0,0|2,1,0]=4 3349 B14R1.727 C[C@@H](CO)COc1ncc(cc1N)Cl 34a_100011998249_100000059175 [0,1,0,0,0,0|2,0,0]=3 3350 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)Br 62a_100000059175_100011484698 [0,1,0,0,0,0|1,2,0]=4 3351 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)Br 62a_100011484698_100000059175 [0,1,0,0,0,0|1,2,0]=4 3352 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)Cl 62a_100000059175_100011219703 [0,1,0,0,0,0|1,1,0]=3 3353 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)Cl 62a_100011219703_100000059175 [0,1,0,0,0,0|1,1,0]=3 3354 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)F 62a_100000059175_100011217111 [0,1,0,0,0,0|1,2,0]=4 3355 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)F 62a_100011217111_100000059175 [0,1,0,0,0,0|1,2,0]=4 3356 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)N 62a_100000059175_100000750458 [0,1,0,0,0,0|2,1,0]=4 3357 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)N 62a_100000750458_100000059175 [0,1,0,0,0,0|2,1,0]=4 3358 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)O 62a_100000059175_100000701344 [0,1,0,0,0,0|2,1,0]=4 3359 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Br)O 62a_100000701344_100000059175 [0,1,0,0,0,0|2,1,0]=4 3360 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)Br 62a_100000059175_100011216062 [0,1,0,0,0,0|1,2,0]=4 3361 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)Br 62a_100011216062_100000059175 [0,1,0,0,0,0|1,2,0]=4 3362 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)Cl 62a_100000059175_100000699841 [0,1,0,0,0,0|1,1,0]=3 3363 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000059175 [0,1,0,0,0,0|1,1,0]=3 3364 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)F 62a_100000059175_100000733362 [0,1,0,0,0,0|1,2,0]=4 3365 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)F 62a_100000733362_100000059175 [0,1,0,0,0,0|1,2,0]=4 3366 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)N 62a_100000059175_100000761885 [0,1,0,0,0,0|2,1,0]=4 3367 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)N 62a_100000761885_100000059175 [0,1,0,0,0,0|2,1,0]=4 3368 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)O 62a_100000047559_100000059175 [0,1,0,0,0,0|2,1,0]=4 3369 B14R1.727 C[C@@H](CO)CSc1ccc(cc1Cl)O 62a_100000059175_100000047559 [0,1,0,0,0,0|2,1,0]=4 3370 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)Br 62a_100000059175_100009814013 [0,1,0,0,0,0|1,2,0]=4 3371 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)Br 62a_100009814013_100000059175 [0,1,0,0,0,0|1,2,0]=4 3372 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)Cl 62a_100000059175_100011216042 [0,1,0,0,0,0|1,1,0]=3 3373 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)Cl 62a_100011216042_100000059175 [0,1,0,0,0,0|1,1,0]=3 3374 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)F 62a_100000059175_100000750030 [0,1,0,0,0,0|1,2,0]=4 3375 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)F 62a_100000750030_100000059175 [0,1,0,0,0,0|1,2,0]=4 3376 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)N 62a_100000059175_100011356925 [0,1,0,0,0,0|2,1,0]=4 3377 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)N 62a_100011356925_100000059175 [0,1,0,0,0,0|2,1,0]=4 3378 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)O 62a_100000059175_100000755031 [0,1,0,0,0,0|2,1,0]=4 3379 B14R1.727 C[C@@H](CO)CSc1ccc(cc1F)O 62a_100000755031_100000059175 [0,1,0,0,0,0|2,1,0]=4 3380 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)Br 62a_100000059175_100000743836 [0,1,0,0,0,0|1,2,0]=4 3381 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)Br 62a_100000743836_100000059175 [0,1,0,0,0,0|1,2,0]=4 3382 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)Cl 62a_100000059175_100000761886 [0,1,0,0,0,0|1,1,0]=3 3383 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)Cl 62a_100000761886_100000059175 [0,1,0,0,0,0|1,1,0]=3 3384 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)F 62a_100000059175_100000687223 [0,1,0,0,0,0|1,2,0]=4 3385 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)F 62a_100000687223_100000059175 [0,1,0,0,0,0|1,2,0]=4 3386 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)N 62a_100000059175_200012175722 [0,1,0,0,0,0|2,1,0]=4 3387 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)N 62a_200012175722_100000059175 [0,1,0,0,0,0|2,1,0]=4 3388 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)O 62a_100000059175_100011999798 [0,1,0,0,0,0|2,1,0]=4 3389 B14R1.727 C[C@@H](CO)CSc1ccc(cc1N)O 62a_100011999798_100000059175 [0,1,0,0,0,0|2,1,0]=4 3390 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Br 62a_100000059175_100012344904 [0,1,0,0,0,0|1,2,0]=4 3391 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Br 62a_100012344904_100000059175 [0,1,0,0,0,0|1,2,0]=4 3392 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Cl 62a_100000050036_100000059175 [0,1,0,0,0,0|1,1,0]=3 3393 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)Cl 62a_100000059175_100000050036 [0,1,0,0,0,0|1,1,0]=3 3394 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)F 62a_100000059175_100000690578 [0,1,0,0,0,0|1,2,0]=4 3395 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)F 62a_100000690578_100000059175 [0,1,0,0,0,0|1,2,0]=4 3396 B14R1.727 C[C@@H](CO)CSc1ccc(cc1O)O 62a_100000059175_100009813921 [0,1,0,0,0,0|2,1,0]=4 3397 B14R1.727 C[C@@H](CO)CSc1ccc(nc1Cl)Cl 62a_100000059175_100000043682 [0,1,0,0,0,0|2,1,0]=4 3398 B14R1.727 C[C@@H](CO)CSc1ccc(nc1F)Cl 62a_100000059175_100010168078 [0,1,0,0,0,0|2,1,0]=4 3399 B14R1.727 C[C@@H](CO)CSc1ccc(nc1F)Cl 62a_100010168078_100000059175 [0,1,0,0,0,0|2,1,0]=4 3400 B14R1.727 C[C@@H](CO)CSc1ccc(nc1N)Cl 62a_100000059175_100010171640 [0,1,0,0,0,0|2,1,0]=4 3401 B14R1.727 C[C@@H](CO)CSc1ccc(nc1N)Cl 62a_100010171640_100000059175 [0,1,0,0,0,0|2,1,0]=4 3402 B14R1.727 C[C@@H](CO)CSc1cnc(cc1Cl)Cl 62a_100000059175_100010200927 [0,1,0,0,0,0|2,1,0]=4 3403 B14R1.727 C[C@@H](CO)CSc1cnc(cc1Cl)Cl 62a_100010200927_100000059175 [0,1,0,0,0,0|2,1,0]=4 3404 B14R1.727 C[C@@H](CO)CSc1cnc(cc1F)Cl 62a_100000059175_100010128100 [0,1,0,0,0,0|2,1,0]=4 3405 B14R1.727 C[C@@H](CO)CSc1cnc(cc1F)Cl 62a_100010128100_100000059175 [0,1,0,0,0,0|2,1,0]=4 3406 B14R1.727 C[C@@H](CO)CSc1cnc(cc1N)Cl 62a_100000059175_100010209552 [0,1,0,0,0,0|2,1,0]=4 3407 B14R1.727 C[C@@H](CO)CSc1cnc(cc1N)Cl 62a_100010209552_100000059175 [0,1,0,0,0,0|2,1,0]=4 3408 B14R1.727 C[C@@H](CO)CSc1ncc(cc1Br)Cl 62a_100000059175_100012154958 [0,1,0,0,0,0|2,1,0]=4 3409 B14R1.727 C[C@@H](CO)CSc1ncc(cc1Br)Cl 62a_100012154958_100000059175 [0,1,0,0,0,0|2,1,0]=4 3410 B14R1.727 C[C@@H](CO)CSc1ncc(cc1F)Cl 62a_100000059175_100012348686 [0,1,0,0,0,0|2,1,0]=4 3411 B14R1.727 C[C@@H](CO)CSc1ncc(cc1F)Cl 62a_100012348686_100000059175 [0,1,0,0,0,0|2,1,0]=4 3412 B14R1.727 C[C@@H](CO)CSc1ncc(cc1O)Cl 62a_100000059175_100010233512 [0,1,0,0,0,0|2,1,0]=4 3413 B14R1.727 C[C@@H](CO)CSc1ncc(cc1O)Cl 62a_100010233512_100000059175 [0,1,0,0,0,0|2,1,0]=4 3414 B14R1.727 C[C@H](CO)NCc1ccc(cc1Br)Cl 207a_100000737577_100000687667 [0,1,0,0,0,0|3,0,0]=4 3415 B14R1.727 C[C@H](CO)NCc1ccc(cc1Br)Cl 2230a_100000737577_100000755608 [0,1,0,0,0,0|3,0,0]=4 3416 B14R1.727 C[C@H](CO)NCc1ccc(cc1Br)Cl 270004a_100000737577_100000687667 [0,1,0,0,0,0|3,0,0]=4 3417 B14R1.727 C[C@H](CO)NCc1ccc(cc1Cl)Cl 207a_100000737577_100000188887 [0,1,0,0,0,0|3,0,0]=4 3418 B14R1.727 C[C@H](CO)NCc1ccc(cc1Cl)Cl 2230a_100000737577_100000188473 [0,1,0,0,0,0|3,0,0]=4 3419 B14R1.727 C[C@H](CO)NCc1ccc(cc1Cl)Cl 270004a_100000737577_100000188887 [0,1,0,0,0,0|3,0,0]=4 3420 B14R1.727 C[C@H](CO)NCc1ccc(cc1F)Cl 207a_100000737577_100000697372 [0,1,0,0,0,0|3,0,0]=4 3421 B14R1.727 C[C@H](CO)NCc1ccc(cc1F)Cl 2230a_100000737577_100000709361 [0,1,0,0,0,0|3,0,0]=4 3422 B14R1.727 C[C@H](CO)NCc1ccc(cc1F)Cl 270004a_100000737577_100000697372 [0,1,0,0,0,0|3,0,0]=4 3423 B14R1.727 C[C@H](CO)NCc1ccc(cc1I)Cl 2230a_100000737577_100010254388 [0,1,0,0,0,0|3,0,0]=4 3424 B14R1.727 C[C@H](CO)SCc1ccc(cc1Br)Cl 62a_100000755608_100016084084 [0,1,0,0,0,0|3,0,0]=4 3425 B14R1.727 C[C@H](CO)SCc1ccc(cc1Br)Cl 62a_100016084084_100000755608 [0,1,0,0,0,0|3,0,0]=4 3426 B14R1.727 C[C@H](CO)SCc1ccc(cc1Cl)Cl 62a_100000188473_100016084084 [0,1,0,0,0,0|3,0,0]=4 3427 B14R1.727 C[C@H](CO)SCc1ccc(cc1Cl)Cl 62a_100016084084_100000188473 [0,1,0,0,0,0|3,0,0]=4 3428 B14R1.727 C[C@H](CO)SCc1ccc(cc1F)Cl 62a_100000709361_100016084084 [0,1,0,0,0,0|3,0,0]=4 3429 B14R1.727 C[C@H](CO)SCc1ccc(cc1F)Cl 62a_100016084084_100000709361 [0,1,0,0,0,0|3,0,0]=4 3430 B14R1.727 C[C@H](CO)SCc1ccc(cc1I)Cl 62a_100010254388_100016084084 [0,1,0,0,0,0|3,0,0]=4 3431 B14R1.727 C[C@H](CO)SCc1ccc(cc1I)Cl 62a_100016084084_100010254388 [0,1,0,0,0,0|3,0,0]=4 3432 B14R1.727 Cc1c[n+](ccc1SCC(O)CO)[O-] 62a_100011219619_100000074940 [0,1,0,0,0,0|2,1,0]=4 3433 B14R1.727 Cc1c[n+](ccc1SC[C@@H](O)CO)[O-] 62a_100009815848_100000074940 [0,1,0,0,0,0|2,1,0]=4 3434 B14R1.727 Cc1cc(=O)c(co1)OCC(O)CO 34a_100000081520_100011219619 [0,1,0,0,0,0|2,0,0]=3 3435 B14R1.727 Cc1cc(=O)c(co1)OC[C@@H](C)CO 34a_100000081520_100000059175 [0,1,0,0,0,0|3,0,0]=4 3436 B14R1.727 Cc1cc(=O)c(co1)OC[C@@H](O)CF 34a_100000081520_100015614560 [0,1,0,0,0,0|3,0,0]=4 3437 B14R1.727 Cc1cc(=O)c(co1)OC[C@@H](O)CO 34a_100000081520_100009815848 [0,1,0,0,0,0|2,0,0]=3 3438 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)Br 34a_100009843476_100011219619 [0,1,0,0,0,0|2,0,0]=3 3439 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)Br 7a_100009843476_100011219619 [0,1,0,0,0,0|2,0,0]=3 3440 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)C 34a_200000068632_100011219619 [0,1,0,0,0,0|2,0,0]=3 3441 B14R1.727 Cc1cc(c(cn1)OCC(O)CO)C 7a_200000068632_100011219619 [0,1,0,0,0,0|2,0,0]=3 3442 B14R1.727 Cc1cc(c(cn1)OC[C@@H](C)CO)Br 34a_100009843476_100000059175 [0,1,0,0,0,0|3,0,0]=4 3443 B14R1.727 Cc1cc(c(cn1)OC[C@@H](C)CO)Br 7a_100009843476_100000059175 [0,1,0,0,0,0|3,0,0]=4 3444 B14R1.727 Cc1cc(c(cn1)OC[C@@H](C)CO)C 34a_200000068632_100000059175 [0,1,0,0,0,0|3,0,0]=4 3445 B14R1.727 Cc1cc(c(cn1)OC[C@@H](C)CO)C 7a_200000068632_100000059175 [0,1,0,0,0,0|3,0,0]=4 3446 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CF)Br 34a_100009843476_100015614560 [0,1,0,0,0,0|3,0,0]=4 3447 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CF)Br 7a_100009843476_100015614560 [0,1,0,0,0,0|3,0,0]=4 3448 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CF)C 34a_200000068632_100015614560 [0,1,0,0,0,0|3,0,0]=4 3449 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CF)C 7a_200000068632_100015614560 [0,1,0,0,0,0|3,0,0]=4 3450 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)Br 34a_100009843476_100009815848 [0,1,0,0,0,0|2,0,0]=3 3451 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)Br 7a_100009843476_100009815848 [0,1,0,0,0,0|2,0,0]=3 3452 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)C 34a_200000068632_100009815848 [0,1,0,0,0,0|2,0,0]=3 3453 B14R1.727 Cc1cc(c(cn1)OC[C@@H](O)CO)C 7a_200000068632_100009815848 [0,1,0,0,0,0|2,0,0]=3 3454 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)C 62a_100009819613_100011219619 [0,1,0,0,0,0|2,1,0]=4 3455 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)C 62a_100011219619_100009819613 [0,1,0,0,0,0|2,1,0]=4 3456 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)N 62a_100009817891_100011219619 [0,1,0,0,0,0|2,1,0]=4 3457 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)N 62a_100011219619_100009817891 [0,1,0,0,0,0|2,1,0]=4 3458 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)O 62a_100011016184_100011219619 [0,1,0,0,0,0|2,1,0]=4 3459 B14R1.727 Cc1cc(c(cn1)SCC(O)CO)O 62a_100011219619_100011016184 [0,1,0,0,0,0|2,1,0]=4 3460 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)C 62a_100009815848_100009819613 [0,1,0,0,0,0|2,1,0]=4 3461 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)C 62a_100009819613_100009815848 [0,1,0,0,0,0|2,1,0]=4 3462 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)N 62a_100009815848_100009817891 [0,1,0,0,0,0|2,1,0]=4 3463 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)N 62a_100009817891_100009815848 [0,1,0,0,0,0|2,1,0]=4 3464 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)O 62a_100009815848_100011016184 [0,1,0,0,0,0|2,1,0]=4 3465 B14R1.727 Cc1cc(c(cn1)SC[C@@H](O)CO)O 62a_100011016184_100009815848 [0,1,0,0,0,0|2,1,0]=4 3466 B14R1.727 Cc1cc(ccc1CNC(C)CO)Cl 34a_103436540063_100012180447 [0,1,0,0,0,0|3,0,0]=4 3467 B14R1.727 Cc1cc(ccc1CN[C@H](C)CO)Cl 207a_100000737577_100000766358 [0,1,0,0,0,0|3,0,0]=4 3468 B14R1.727 Cc1cc(ccc1CN[C@H](C)CO)Cl 2230a_100000737577_100012361307 [0,1,0,0,0,0|3,0,0]=4 3469 B14R1.727 Cc1cc(ccc1CN[C@H](C)CO)Cl 270004a_100000737577_100000766358 [0,1,0,0,0,0|3,0,0]=4 3470 B14R1.727 Cc1cc(ccc1COC(C)CO)Cl 34a_100000702939_100012180447 [0,1,0,0,0,0|3,0,0]=4 3471 B14R1.727 Cc1cc(ccc1COC(C)CO)Cl 7a_100000702939_100012180447 [0,1,0,0,0,0|3,0,0]=4 3472 B14R1.727 Cc1cc(ccc1CSC(C)CO)Cl 62a_100012180447_100012361307 [0,1,0,0,0,0|3,0,0]=4 3473 B14R1.727 Cc1cc(ccc1CS[C@H](C)CO)Cl 62a_100012361307_100016084084 [0,1,0,0,0,0|3,0,0]=4 3474 B14R1.727 Cc1cc(ccc1CS[C@H](C)CO)Cl 62a_100016084084_100012361307 [0,1,0,0,0,0|3,0,0]=4 3475 B14R1.727 Cc1cc(ccc1NCC(O)CO)Br 34a_100000211769_100011219619 [0,1,0,0,0,0|1,1,0]=3 3476 B14R1.727 Cc1cc(ccc1NCC(O)CO)Br 7a_100000211769_100011219619 [0,1,0,0,0,0|1,1,0]=3 3477 B14R1.727 Cc1cc(ccc1NCC(O)CO)Cl 34a_100000210418_100011219619 [0,1,0,0,0,0|1,0,0]=2 3478 B14R1.727 Cc1cc(ccc1NCC(O)CO)Cl 7a_100000210418_100011219619 [0,1,0,0,0,0|1,0,0]=2 3479 B14R1.727 Cc1cc(ccc1NCC(O)CO)F 34a_100000211637_100011219619 [0,1,0,0,0,0|1,1,0]=3 3480 B14R1.727 Cc1cc(ccc1NCC(O)CO)F 7a_100000211637_100011219619 [0,1,0,0,0,0|1,1,0]=3 3481 B14R1.727 Cc1cc(ccc1NCC(O)CO)I 34a_100000184554_100011219619 [0,1,0,0,0,0|1,1,0]=3 3482 B14R1.727 Cc1cc(ccc1NCC(O)CO)I 7a_100000184554_100011219619 [0,1,0,0,0,0|1,1,0]=3 3483 B14R1.727 Cc1cc(ccc1NCC(O)CO)O 34a_100000756630_100011219619 [0,1,0,0,0,0|2,0,0]=3 3484 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Br 34a_100000211769_100000059175 [0,1,0,0,0,0|2,1,0]=4 3485 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Br 7a_100000211769_100000059175 [0,1,0,0,0,0|2,1,0]=4 3486 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Cl 34a_100000210418_100000059175 [0,1,0,0,0,0|2,0,0]=3 3487 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)Cl 7a_100000210418_100000059175 [0,1,0,0,0,0|2,0,0]=3 3488 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)F 34a_100000211637_100000059175 [0,1,0,0,0,0|2,1,0]=4 3489 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)F 7a_100000211637_100000059175 [0,1,0,0,0,0|2,1,0]=4 3490 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)I 34a_100000184554_100000059175 [0,1,0,0,0,0|2,1,0]=4 3491 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)I 7a_100000184554_100000059175 [0,1,0,0,0,0|2,1,0]=4 3492 B14R1.727 Cc1cc(ccc1NC[C@@H](C)CO)O 34a_100000756630_100000059175 [0,1,0,0,0,0|3,0,0]=4 3493 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Br 34a_100000211769_100015614560 [0,1,0,0,0,0|2,1,0]=4 3494 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Br 7a_100000211769_100015614560 [0,1,0,0,0,0|2,1,0]=4 3495 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100000210418_100015614560 [0,1,0,0,0,0|2,0,0]=3 3496 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)Cl 7a_100000210418_100015614560 [0,1,0,0,0,0|2,0,0]=3 3497 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)F 34a_100000211637_100015614560 [0,1,0,0,0,0|2,1,0]=4 3498 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)F 7a_100000211637_100015614560 [0,1,0,0,0,0|2,1,0]=4 3499 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)I 34a_100000184554_100015614560 [0,1,0,0,0,0|2,1,0]=4 3500 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)I 7a_100000184554_100015614560 [0,1,0,0,0,0|2,1,0]=4 3501 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CF)O 34a_100000756630_100015614560 [0,1,0,0,0,0|3,0,0]=4 3502 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Br 34a_100000211769_100009815848 [0,1,0,0,0,0|1,1,0]=3 3503 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Br 7a_100000211769_100009815848 [0,1,0,0,0,0|1,1,0]=3 3504 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100000210418_100009815848 [0,1,0,0,0,0|1,0,0]=2 3505 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)Cl 7a_100000210418_100009815848 [0,1,0,0,0,0|1,0,0]=2 3506 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)F 34a_100000211637_100009815848 [0,1,0,0,0,0|1,1,0]=3 3507 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)F 7a_100000211637_100009815848 [0,1,0,0,0,0|1,1,0]=3 3508 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)I 34a_100000184554_100009815848 [0,1,0,0,0,0|1,1,0]=3 3509 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)I 7a_100000184554_100009815848 [0,1,0,0,0,0|1,1,0]=3 3510 B14R1.727 Cc1cc(ccc1NC[C@@H](O)CO)O 34a_100000756630_100009815848 [0,1,0,0,0,0|2,0,0]=3 3511 B14R1.727 Cc1cc(ccc1OCC(=O)CF)Cl 1458a_100000182498_100015361967 [0,1,0,0,0,0|1,0,2]=4 3512 B14R1.727 Cc1cc(ccc1OCC(O)CO)Br 34a_100000186361_100011219619 [0,1,0,0,0,0|0,1,0]=2 3513 B14R1.727 Cc1cc(ccc1OCC(O)CO)Br 7a_100000186361_100011219619 [0,1,0,0,0,0|0,1,0]=2 3514 B14R1.727 Cc1cc(ccc1OCC(O)CO)Cl 34a_100000211091_100011219619 [0,1,0,0,0,0|0,0,0]=1 3515 B14R1.727 Cc1cc(ccc1OCC(O)CO)Cl 7a_100000211091_100011219619 [0,1,0,0,0,0|0,0,0]=1 3516 B14R1.727 Cc1cc(ccc1OCC(O)CO)F 34a_100000764316_100011219619 [0,1,0,0,0,0|0,1,0]=2 3517 B14R1.727 Cc1cc(ccc1OCC(O)CO)F 7a_100000764316_100011219619 [0,1,0,0,0,0|0,1,0]=2 3518 B14R1.727 Cc1cc(ccc1OCC(O)CO)I 34a_100011218673_100011219619 [0,1,0,0,0,0|0,1,0]=2 3519 B14R1.727 Cc1cc(ccc1OCC(O)CO)I 7a_100011218673_100011219619 [0,1,0,0,0,0|0,1,0]=2 3520 B14R1.727 Cc1cc(ccc1OCC(O)CO)N 34a_100011218179_100011219619 [0,1,0,0,0,0|1,0,0]=2 3521 B14R1.727 Cc1cc(ccc1OCC(O)CO)N 7a_100011218179_100011219619 [0,1,0,0,0,0|1,0,0]=2 3522 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Br 34a_100000186361_100000059175 [0,1,0,0,0,0|1,1,0]=3 3523 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Br 7a_100000186361_100000059175 [0,1,0,0,0,0|1,1,0]=3 3524 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Cl 34a_100000211091_100000059175 [0,1,0,0,0,0|1,0,0]=2 3525 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)Cl 7a_100000211091_100000059175 [0,1,0,0,0,0|1,0,0]=2 3526 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)F 34a_100000764316_100000059175 [0,1,0,0,0,0|1,1,0]=3 3527 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)F 7a_100000764316_100000059175 [0,1,0,0,0,0|1,1,0]=3 3528 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)I 34a_100011218673_100000059175 [0,1,0,0,0,0|1,1,0]=3 3529 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)I 7a_100011218673_100000059175 [0,1,0,0,0,0|1,1,0]=3 3530 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)N 34a_100011218179_100000059175 [0,1,0,0,0,0|2,0,0]=3 3531 B14R1.727 Cc1cc(ccc1OC[C@@H](C)CO)N 7a_100011218179_100000059175 [0,1,0,0,0,0|2,0,0]=3 3532 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000186361_100015614560 [0,1,0,0,0,0|1,1,0]=3 3533 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000186361_100015614560 [0,1,0,0,0,0|1,1,0]=3 3534 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000211091_100015614560 [0,1,0,0,0,0|1,0,0]=2 3535 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100000211091_100015614560 [0,1,0,0,0,0|1,0,0]=2 3536 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)F 34a_100000764316_100015614560 [0,1,0,0,0,0|1,1,0]=3 3537 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)F 7a_100000764316_100015614560 [0,1,0,0,0,0|1,1,0]=3 3538 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)I 34a_100011218673_100015614560 [0,1,0,0,0,0|1,1,0]=3 3539 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)I 7a_100011218673_100015614560 [0,1,0,0,0,0|1,1,0]=3 3540 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)N 34a_100011218179_100015614560 [0,1,0,0,0,0|2,0,0]=3 3541 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CF)N 7a_100011218179_100015614560 [0,1,0,0,0,0|2,0,0]=3 3542 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000186361_100009815848 [0,1,0,0,0,0|0,1,0]=2 3543 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000186361_100009815848 [0,1,0,0,0,0|0,1,0]=2 3544 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000211091_100009815848 [0,1,0,0,0,0|0,0,0]=1 3545 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100000211091_100009815848 [0,1,0,0,0,0|0,0,0]=1 3546 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)F 34a_100000764316_100009815848 [0,1,0,0,0,0|0,1,0]=2 3547 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)F 7a_100000764316_100009815848 [0,1,0,0,0,0|0,1,0]=2 3548 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)I 34a_100011218673_100009815848 [0,1,0,0,0,0|0,1,0]=2 3549 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)I 7a_100011218673_100009815848 [0,1,0,0,0,0|0,1,0]=2 3550 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)N 34a_100011218179_100009815848 [0,1,0,0,0,0|1,0,0]=2 3551 B14R1.727 Cc1cc(ccc1OC[C@@H](O)CO)N 7a_100011218179_100009815848 [0,1,0,0,0,0|1,0,0]=2 3552 B14R1.727 Cc1cc(ccc1SCC(O)CO)Br 62a_100000701812_100011219619 [0,1,0,0,0,0|0,2,0]=3 3553 B14R1.727 Cc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100000701812 [0,1,0,0,0,0|0,2,0]=3 3554 B14R1.727 Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219607_100011219619 [0,1,0,0,0,0|0,1,0]=2 3555 B14R1.727 Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100011219607 [0,1,0,0,0,0|0,1,0]=2 3556 B14R1.727 Cc1cc(ccc1SCC(O)CO)F 62a_100011205405_100011219619 [0,1,0,0,0,0|0,2,0]=3 3557 B14R1.727 Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100011205405 [0,1,0,0,0,0|0,2,0]=3 3558 B14R1.727 Cc1cc(ccc1SCC(O)CO)N 62a_100000210723_100011219619 [0,1,0,0,0,0|1,1,0]=3 3559 B14R1.727 Cc1cc(ccc1SCC(O)CO)N 62a_100011219619_100000210723 [0,1,0,0,0,0|1,1,0]=3 3560 B14R1.727 Cc1cc(ccc1SCC(O)CO)O 62a_100011219619_100000690111 [0,1,0,0,0,0|1,1,0]=3 3561 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Br 62a_100000059175_100000701812 [0,1,0,0,0,0|1,2,0]=4 3562 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Br 62a_100000701812_100000059175 [0,1,0,0,0,0|1,2,0]=4 3563 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100000059175_100011219607 [0,1,0,0,0,0|1,1,0]=3 3564 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100011219607_100000059175 [0,1,0,0,0,0|1,1,0]=3 3565 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)F 62a_100000059175_100011205405 [0,1,0,0,0,0|1,2,0]=4 3566 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)F 62a_100011205405_100000059175 [0,1,0,0,0,0|1,2,0]=4 3567 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)N 62a_100000059175_100000210723 [0,1,0,0,0,0|2,1,0]=4 3568 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)N 62a_100000210723_100000059175 [0,1,0,0,0,0|2,1,0]=4 3569 B14R1.727 Cc1cc(ccc1SC[C@@H](C)CO)O 62a_100000059175_100000690111 [0,1,0,0,0,0|2,1,0]=4 3570 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Br 62a_100000701812_100015614560 [0,1,0,0,0,0|1,2,0]=4 3571 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Br 62a_100015614560_100000701812 [0,1,0,0,0,0|1,2,0]=4 3572 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100011219607_100015614560 [0,1,0,0,0,0|1,1,0]=3 3573 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100011219607 [0,1,0,0,0,0|1,1,0]=3 3574 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)F 62a_100011205405_100015614560 [0,1,0,0,0,0|1,2,0]=4 3575 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_100011205405 [0,1,0,0,0,0|1,2,0]=4 3576 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)N 62a_100000210723_100015614560 [0,1,0,0,0,0|2,1,0]=4 3577 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)N 62a_100015614560_100000210723 [0,1,0,0,0,0|2,1,0]=4 3578 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CF)O 62a_100015614560_100000690111 [0,1,0,0,0,0|2,1,0]=4 3579 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100000701812_100009815848 [0,1,0,0,0,0|0,2,0]=3 3580 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100000701812 [0,1,0,0,0,0|0,2,0]=3 3581 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100011219607 [0,1,0,0,0,0|0,1,0]=2 3582 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100011219607_100009815848 [0,1,0,0,0,0|0,1,0]=2 3583 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100011205405 [0,1,0,0,0,0|0,2,0]=3 3584 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100011205405_100009815848 [0,1,0,0,0,0|0,2,0]=3 3585 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)N 62a_100000210723_100009815848 [0,1,0,0,0,0|1,1,0]=3 3586 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100000210723 [0,1,0,0,0,0|1,1,0]=3 3587 B14R1.727 Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100000690111 [0,1,0,0,0,0|1,1,0]=3 3588 B14R1.727 Cc1cc(cnc1OCC(O)CO)Br 34a_100000685391_100011219619 [0,1,0,0,0,0|1,1,0]=3 3589 B14R1.727 Cc1cc(cnc1OC[C@@H](C)CO)Br 34a_100000685391_100000059175 [0,1,0,0,0,0|2,1,0]=4 3590 B14R1.727 Cc1cc(cnc1OC[C@@H](O)CF)Br 34a_100000685391_100015614560 [0,1,0,0,0,0|2,1,0]=4 3591 B14R1.727 Cc1cc(cnc1OC[C@@H](O)CO)Br 34a_100000685391_100009815848 [0,1,0,0,0,0|1,1,0]=3 3592 B14R1.727 Cc1cc(cnc1SCC(O)CO)Br 62a_100011219619_100012353652 [0,1,0,0,0,0|1,2,0]=4 3593 B14R1.727 Cc1cc(cnc1SCC(O)CO)Br 62a_100012353652_100011219619 [0,1,0,0,0,0|1,2,0]=4 3594 B14R1.727 Cc1cc(cnc1SCC(O)CO)F 62a_100009817009_100011219619 [0,1,0,0,0,0|1,2,0]=4 3595 B14R1.727 Cc1cc(cnc1SCC(O)CO)F 62a_100011219619_100009817009 [0,1,0,0,0,0|1,2,0]=4 3596 B14R1.727 Cc1cc(cnc1SCC(O)CO)N 62a_100000761747_100011219619 [0,1,0,0,0,0|2,1,0]=4 3597 B14R1.727 Cc1cc(cnc1SCC(O)CO)N 62a_100011219619_100000761747 [0,1,0,0,0,0|2,1,0]=4 3598 B14R1.727 Cc1cc(cnc1SCC(O)CO)O 62a_100011219619_100012000486 [0,1,0,0,0,0|2,1,0]=4 3599 B14R1.727 Cc1cc(cnc1SCC(O)CO)O 62a_100012000486_100011219619 [0,1,0,0,0,0|2,1,0]=4 3600 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)Br 62a_100009815848_100012353652 [0,1,0,0,0,0|1,2,0]=4 3601 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)Br 62a_100012353652_100009815848 [0,1,0,0,0,0|1,2,0]=4 3602 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)F 62a_100009815848_100009817009 [0,1,0,0,0,0|1,2,0]=4 3603 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)F 62a_100009817009_100009815848 [0,1,0,0,0,0|1,2,0]=4 3604 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)N 62a_100000761747_100009815848 [0,1,0,0,0,0|2,1,0]=4 3605 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)N 62a_100009815848_100000761747 [0,1,0,0,0,0|2,1,0]=4 3606 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)O 62a_100009815848_100012000486 [0,1,0,0,0,0|2,1,0]=4 3607 B14R1.727 Cc1cc(cnc1SC[C@@H](O)CO)O 62a_100012000486_100009815848 [0,1,0,0,0,0|2,1,0]=4 3608 B14R1.727 Cc1cc(ncc1OCC(O)CO)Cl 34a_100000692680_100011219619 [0,1,0,0,0,0|1,0,0]=2 3609 B14R1.727 Cc1cc(ncc1OCC(O)CO)Cl 7a_100000692680_100011219619 [0,1,0,0,0,0|1,0,0]=2 3610 B14R1.727 Cc1cc(ncc1OCC(O)CO)F 34a_100009856773_100011219619 [0,1,0,0,0,0|1,1,0]=3 3611 B14R1.727 Cc1cc(ncc1OCC(O)CO)F 7a_100009856773_100011219619 [0,1,0,0,0,0|1,1,0]=3 3612 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)Cl 34a_100000692680_100000059175 [0,1,0,0,0,0|2,0,0]=3 3613 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)Cl 7a_100000692680_100000059175 [0,1,0,0,0,0|2,0,0]=3 3614 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)F 34a_100009856773_100000059175 [0,1,0,0,0,0|2,1,0]=4 3615 B14R1.727 Cc1cc(ncc1OC[C@@H](C)CO)F 7a_100009856773_100000059175 [0,1,0,0,0,0|2,1,0]=4 3616 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)Cl 34a_100000692680_100015614560 [0,1,0,0,0,0|2,0,0]=3 3617 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)Cl 7a_100000692680_100015614560 [0,1,0,0,0,0|2,0,0]=3 3618 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)F 34a_100009856773_100015614560 [0,1,0,0,0,0|2,1,0]=4 3619 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CF)F 7a_100009856773_100015614560 [0,1,0,0,0,0|2,1,0]=4 3620 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)Cl 34a_100000692680_100009815848 [0,1,0,0,0,0|1,0,0]=2 3621 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)Cl 7a_100000692680_100009815848 [0,1,0,0,0,0|1,0,0]=2 3622 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)F 34a_100009856773_100009815848 [0,1,0,0,0,0|1,1,0]=3 3623 B14R1.727 Cc1cc(ncc1OC[C@@H](O)CO)F 7a_100009856773_100009815848 [0,1,0,0,0,0|1,1,0]=3 3624 B14R1.727 Cc1cc(ncc1SCC(O)CO)Br 62a_100009816104_100011219619 [0,1,0,0,0,0|1,2,0]=4 3625 B14R1.727 Cc1cc(ncc1SCC(O)CO)Br 62a_100011219619_100009816104 [0,1,0,0,0,0|1,2,0]=4 3626 B14R1.727 Cc1cc(ncc1SCC(O)CO)Cl 62a_100010172789_100011219619 [0,1,0,0,0,0|1,1,0]=3 3627 B14R1.727 Cc1cc(ncc1SCC(O)CO)Cl 62a_100011219619_100010172789 [0,1,0,0,0,0|1,1,0]=3 3628 B14R1.727 Cc1cc(ncc1SCC(O)CO)F 62a_100009820716_100011219619 [0,1,0,0,0,0|1,2,0]=4 3629 B14R1.727 Cc1cc(ncc1SCC(O)CO)F 62a_100011219619_100009820716 [0,1,0,0,0,0|1,2,0]=4 3630 B14R1.727 Cc1cc(ncc1SCC(O)CO)N 62a_100000050067_100011219619 [0,1,0,0,0,0|2,1,0]=4 3631 B14R1.727 Cc1cc(ncc1SCC(O)CO)N 62a_100011219619_100000050067 [0,1,0,0,0,0|2,1,0]=4 3632 B14R1.727 Cc1cc(ncc1SCC(O)CO)O 62a_100000766222_100011219619 [0,1,0,0,0,0|2,1,0]=4 3633 B14R1.727 Cc1cc(ncc1SCC(O)CO)O 62a_100011219619_100000766222 [0,1,0,0,0,0|2,1,0]=4 3634 B14R1.727 Cc1cc(ncc1SC[C@@H](C)CO)Cl 62a_100000059175_100010172789 [0,1,0,0,0,0|2,1,0]=4 3635 B14R1.727 Cc1cc(ncc1SC[C@@H](C)CO)Cl 62a_100010172789_100000059175 [0,1,0,0,0,0|2,1,0]=4 3636 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CF)Cl 62a_100010172789_100015614560 [0,1,0,0,0,0|2,1,0]=4 3637 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CF)Cl 62a_100015614560_100010172789 [0,1,0,0,0,0|2,1,0]=4 3638 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Br 62a_100009815848_100009816104 [0,1,0,0,0,0|1,2,0]=4 3639 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Br 62a_100009816104_100009815848 [0,1,0,0,0,0|1,2,0]=4 3640 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100009815848_100010172789 [0,1,0,0,0,0|1,1,0]=3 3641 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100010172789_100009815848 [0,1,0,0,0,0|1,1,0]=3 3642 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)F 62a_100009815848_100009820716 [0,1,0,0,0,0|1,2,0]=4 3643 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)F 62a_100009820716_100009815848 [0,1,0,0,0,0|1,2,0]=4 3644 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)N 62a_100000050067_100009815848 [0,1,0,0,0,0|2,1,0]=4 3645 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)N 62a_100009815848_100000050067 [0,1,0,0,0,0|2,1,0]=4 3646 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)O 62a_100000766222_100009815848 [0,1,0,0,0,0|2,1,0]=4 3647 B14R1.727 Cc1cc(ncc1SC[C@@H](O)CO)O 62a_100009815848_100000766222 [0,1,0,0,0,0|2,1,0]=4 3648 B14R1.727 Cc1ccc([n+](c1)[O-])SCC(O)CO 62a_100011219619_100009819918 [0,1,0,0,0,0|2,1,0]=4 3649 B14R1.727 Cc1ccc([n+](c1)[O-])SC[C@@H](O)CO 62a_100009815848_100009819918 [0,1,0,0,0,0|2,1,0]=4 3650 B14R1.727 Cc1ccc(c(c1)Br)NCC(O)CO 34a_100000210942_100011219619 [0,1,0,0,0,0|2,0,0]=3 3651 B14R1.727 Cc1ccc(c(c1)Br)NC[C@@H](C)CO 34a_100000210942_100000059175 [0,1,0,0,0,0|3,0,0]=4 3652 B14R1.727 Cc1ccc(c(c1)Br)NC[C@@H](O)CF 34a_100000210942_100015614560 [0,1,0,0,0,0|3,0,0]=4 3653 B14R1.727 Cc1ccc(c(c1)Br)NC[C@@H](O)CO 34a_100000210942_100009815848 [0,1,0,0,0,0|2,0,0]=3 3654 B14R1.727 Cc1ccc(c(c1)Br)OCC(O)CO 34a_100000210800_100011219619 [0,1,0,0,0,0|1,0,0]=2 3655 B14R1.727 Cc1ccc(c(c1)Br)OCC(O)CO 7a_100000210800_100011219619 [0,1,0,0,0,0|1,0,0]=2 3656 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](C)CO 34a_100000210800_100000059175 [0,1,0,0,0,0|2,0,0]=3 3657 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](C)CO 7a_100000210800_100000059175 [0,1,0,0,0,0|2,0,0]=3 3658 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100000210800_100015614560 [0,1,0,0,0,0|2,0,0]=3 3659 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100000210800_100015614560 [0,1,0,0,0,0|2,0,0]=3 3660 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100000210800_100009815848 [0,1,0,0,0,0|1,0,0]=2 3661 B14R1.727 Cc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100000210800_100009815848 [0,1,0,0,0,0|1,0,0]=2 3662 B14R1.727 Cc1ccc(c(c1)Br)SCC(O)CO 62a_100009813563_100011219619 [0,1,0,0,0,0|1,1,0]=3 3663 B14R1.727 Cc1ccc(c(c1)Br)SCC(O)CO 62a_100011219619_100009813563 [0,1,0,0,0,0|1,1,0]=3 3664 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](C)CO 62a_100000059175_100009813563 [0,1,0,0,0,0|2,1,0]=4 3665 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](C)CO 62a_100009813563_100000059175 [0,1,0,0,0,0|2,1,0]=4 3666 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](O)CF 62a_100009813563_100015614560 [0,1,0,0,0,0|2,1,0]=4 3667 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](O)CF 62a_100015614560_100009813563 [0,1,0,0,0,0|2,1,0]=4 3668 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009813563_100009815848 [0,1,0,0,0,0|1,1,0]=3 3669 B14R1.727 Cc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009815848_100009813563 [0,1,0,0,0,0|1,1,0]=3 3670 B14R1.727 Cc1ccc(c(c1)C)NCC(O)CO 34a_100000736561_100011219619 [0,1,0,0,0,0|2,0,0]=3 3671 B14R1.727 Cc1ccc(c(c1)C)NCC(O)CO 7a_100000736561_100011219619 [0,1,0,0,0,0|2,0,0]=3 3672 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](C)CO 34a_100000736561_100000059175 [0,1,0,0,0,0|3,0,0]=4 3673 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](C)CO 7a_100000736561_100000059175 [0,1,0,0,0,0|3,0,0]=4 3674 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CF 34a_100000736561_100015614560 [0,1,0,0,0,0|3,0,0]=4 3675 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CF 7a_100000736561_100015614560 [0,1,0,0,0,0|3,0,0]=4 3676 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CO 34a_100000736561_100009815848 [0,1,0,0,0,0|2,0,0]=3 3677 B14R1.727 Cc1ccc(c(c1)C)NC[C@@H](O)CO 7a_100000736561_100009815848 [0,1,0,0,0,0|2,0,0]=3 3678 B14R1.727 Cc1ccc(c(c1)C)OCC(O)CO 34a_100000211776_100011219619 [0,1,0,0,0,0|1,0,0]=2 3679 B14R1.727 Cc1ccc(c(c1)C)OCC(O)CO 7a_100000211776_100011219619 [0,1,0,0,0,0|1,0,0]=2 3680 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](C)CO 34a_100000211776_100000059175 [0,1,0,0,0,0|2,0,0]=3 3681 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](C)CO 7a_100000211776_100000059175 [0,1,0,0,0,0|2,0,0]=3 3682 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CF 34a_100000211776_100015614560 [0,1,0,0,0,0|2,0,0]=3 3683 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CF 7a_100000211776_100015614560 [0,1,0,0,0,0|2,0,0]=3 3684 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CO 34a_100000211776_100009815848 [0,1,0,0,0,0|1,0,0]=2 3685 B14R1.727 Cc1ccc(c(c1)C)OC[C@@H](O)CO 7a_100000211776_100009815848 [0,1,0,0,0,0|1,0,0]=2 3686 B14R1.727 Cc1ccc(c(c1)C)SCC(O)CO 62a_100011217332_100011219619 [0,1,0,0,0,0|1,1,0]=3 3687 B14R1.727 Cc1ccc(c(c1)C)SCC(O)CO 62a_100011219619_100011217332 [0,1,0,0,0,0|1,1,0]=3 3688 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](C)CO 62a_100000059175_100011217332 [0,1,0,0,0,0|2,1,0]=4 3689 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](C)CO 62a_100011217332_100000059175 [0,1,0,0,0,0|2,1,0]=4 3690 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CF 62a_100011217332_100015614560 [0,1,0,0,0,0|2,1,0]=4 3691 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CF 62a_100015614560_100011217332 [0,1,0,0,0,0|2,1,0]=4 3692 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100009815848_100011217332 [0,1,0,0,0,0|1,1,0]=3 3693 B14R1.727 Cc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100011217332_100009815848 [0,1,0,0,0,0|1,1,0]=3 3694 B14R1.727 Cc1ccc(c(c1)Cl)NCC(O)CO 34a_100000210522_100011219619 [0,1,0,0,0,0|2,0,0]=3 3695 B14R1.727 Cc1ccc(c(c1)Cl)NC[C@@H](C)CO 34a_100000210522_100000059175 [0,1,0,0,0,0|3,0,0]=4 3696 B14R1.727 Cc1ccc(c(c1)Cl)NC[C@@H](O)CF 34a_100000210522_100015614560 [0,1,0,0,0,0|3,0,0]=4 3697 B14R1.727 Cc1ccc(c(c1)Cl)NC[C@@H](O)CO 34a_100000210522_100009815848 [0,1,0,0,0,0|2,0,0]=3 3698 B14R1.727 Cc1ccc(c(c1)Cl)OCC(O)CO 34a_100000749699_100011219619 [0,1,0,0,0,0|1,0,0]=2 3699 B14R1.727 Cc1ccc(c(c1)Cl)OCC(O)CO 7a_100000749699_100011219619 [0,1,0,0,0,0|1,0,0]=2 3700 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](C)CO 34a_100000749699_100000059175 [0,1,0,0,0,0|2,0,0]=3 3701 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](C)CO 7a_100000749699_100000059175 [0,1,0,0,0,0|2,0,0]=3 3702 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CF 34a_100000749699_100015614560 [0,1,0,0,0,0|2,0,0]=3 3703 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CF 7a_100000749699_100015614560 [0,1,0,0,0,0|2,0,0]=3 3704 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000749699_100009815848 [0,1,0,0,0,0|1,0,0]=2 3705 B14R1.727 Cc1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000749699_100009815848 [0,1,0,0,0,0|1,0,0]=2 3706 B14R1.727 Cc1ccc(c(c1)Cl)SCC(O)CO 62a_100011219619_100011263221 [0,1,0,0,0,0|1,1,0]=3 3707 B14R1.727 Cc1ccc(c(c1)Cl)SCC(O)CO 62a_100011263221_100011219619 [0,1,0,0,0,0|1,1,0]=3 3708 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](C)CO 62a_100000059175_100011263221 [0,1,0,0,0,0|2,1,0]=4 3709 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](C)CO 62a_100011263221_100000059175 [0,1,0,0,0,0|2,1,0]=4 3710 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](O)CF 62a_100011263221_100015614560 [0,1,0,0,0,0|2,1,0]=4 3711 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](O)CF 62a_100015614560_100011263221 [0,1,0,0,0,0|2,1,0]=4 3712 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100009815848_100011263221 [0,1,0,0,0,0|1,1,0]=3 3713 B14R1.727 Cc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100011263221_100009815848 [0,1,0,0,0,0|1,1,0]=3 3714 B14R1.727 Cc1ccc(c(c1)F)NCC(O)CO 34a_100000211023_100011219619 [0,1,0,0,0,0|2,0,0]=3 3715 B14R1.727 Cc1ccc(c(c1)F)NC[C@@H](C)CO 34a_100000211023_100000059175 [0,1,0,0,0,0|3,0,0]=4 3716 B14R1.727 Cc1ccc(c(c1)F)NC[C@@H](O)CF 34a_100000211023_100015614560 [0,1,0,0,0,0|3,0,0]=4 3717 B14R1.727 Cc1ccc(c(c1)F)NC[C@@H](O)CO 34a_100000211023_100009815848 [0,1,0,0,0,0|2,0,0]=3 3718 B14R1.727 Cc1ccc(c(c1)F)OCC(O)CO 34a_100011216688_100011219619 [0,1,0,0,0,0|1,0,0]=2 3719 B14R1.727 Cc1ccc(c(c1)F)OCC(O)CO 7a_100011216688_100011219619 [0,1,0,0,0,0|1,0,0]=2 3720 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](C)CO 34a_100011216688_100000059175 [0,1,0,0,0,0|2,0,0]=3 3721 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](C)CO 7a_100011216688_100000059175 [0,1,0,0,0,0|2,0,0]=3 3722 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CF 34a_100011216688_100015614560 [0,1,0,0,0,0|2,0,0]=3 3723 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CF 7a_100011216688_100015614560 [0,1,0,0,0,0|2,0,0]=3 3724 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CO 34a_100011216688_100009815848 [0,1,0,0,0,0|1,0,0]=2 3725 B14R1.727 Cc1ccc(c(c1)F)OC[C@@H](O)CO 7a_100011216688_100009815848 [0,1,0,0,0,0|1,0,0]=2 3726 B14R1.727 Cc1ccc(c(c1)F)SCC(O)CO 62a_100011216119_100011219619 [0,1,0,0,0,0|1,1,0]=3 3727 B14R1.727 Cc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100011216119 [0,1,0,0,0,0|1,1,0]=3 3728 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](C)CO 62a_100000059175_100011216119 [0,1,0,0,0,0|2,1,0]=4 3729 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](C)CO 62a_100011216119_100000059175 [0,1,0,0,0,0|2,1,0]=4 3730 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](O)CF 62a_100011216119_100015614560 [0,1,0,0,0,0|2,1,0]=4 3731 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](O)CF 62a_100015614560_100011216119 [0,1,0,0,0,0|2,1,0]=4 3732 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100011216119 [0,1,0,0,0,0|1,1,0]=3 3733 B14R1.727 Cc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100011216119_100009815848 [0,1,0,0,0,0|1,1,0]=3 3734 B14R1.727 Cc1ccc(c(c1)I)NCC(O)CO 34a_100011356834_100011219619 [0,1,0,0,0,0|2,0,0]=3 3735 B14R1.727 Cc1ccc(c(c1)I)NC[C@@H](C)CO 34a_100011356834_100000059175 [0,1,0,0,0,0|3,0,0]=4 3736 B14R1.727 Cc1ccc(c(c1)I)NC[C@@H](O)CF 34a_100011356834_100015614560 [0,1,0,0,0,0|3,0,0]=4 3737 B14R1.727 Cc1ccc(c(c1)I)NC[C@@H](O)CO 34a_100011356834_100009815848 [0,1,0,0,0,0|2,0,0]=3 3738 B14R1.727 Cc1ccc(c(c1)I)OCC(O)CO 34a_100000765521_100011219619 [0,1,0,0,0,0|1,0,0]=2 3739 B14R1.727 Cc1ccc(c(c1)I)OCC(O)CO 7a_100000765521_100011219619 [0,1,0,0,0,0|1,0,0]=2 3740 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](C)CO 34a_100000765521_100000059175 [0,1,0,0,0,0|2,0,0]=3 3741 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](C)CO 7a_100000765521_100000059175 [0,1,0,0,0,0|2,0,0]=3 3742 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CF 34a_100000765521_100015614560 [0,1,0,0,0,0|2,0,0]=3 3743 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CF 7a_100000765521_100015614560 [0,1,0,0,0,0|2,0,0]=3 3744 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CO 34a_100000765521_100009815848 [0,1,0,0,0,0|1,0,0]=2 3745 B14R1.727 Cc1ccc(c(c1)I)OC[C@@H](O)CO 7a_100000765521_100009815848 [0,1,0,0,0,0|1,0,0]=2 3746 B14R1.727 Cc1ccc(c(c1)N)OCC(O)CO 34a_100011215204_100011219619 [0,1,0,0,0,0|1,0,0]=2 3747 B14R1.727 Cc1ccc(c(c1)N)OCC(O)CO 7a_100011215204_100011219619 [0,1,0,0,0,0|1,0,0]=2 3748 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](C)CO 34a_100011215204_100000059175 [0,1,0,0,0,0|2,0,0]=3 3749 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](C)CO 7a_100011215204_100000059175 [0,1,0,0,0,0|2,0,0]=3 3750 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CF 34a_100011215204_100015614560 [0,1,0,0,0,0|2,0,0]=3 3751 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CF 7a_100011215204_100015614560 [0,1,0,0,0,0|2,0,0]=3 3752 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CO 34a_100011215204_100009815848 [0,1,0,0,0,0|1,0,0]=2 3753 B14R1.727 Cc1ccc(c(c1)N)OC[C@@H](O)CO 7a_100011215204_100009815848 [0,1,0,0,0,0|1,0,0]=2 3754 B14R1.727 Cc1ccc(c(c1)N)SCC(O)CO 62a_100011216686_100011219619 [0,1,0,0,0,0|1,1,0]=3 3755 B14R1.727 Cc1ccc(c(c1)N)SCC(O)CO 62a_100011219619_100011216686 [0,1,0,0,0,0|1,1,0]=3 3756 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](C)CO 62a_100000059175_100011216686 [0,1,0,0,0,0|2,1,0]=4 3757 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](C)CO 62a_100011216686_100000059175 [0,1,0,0,0,0|2,1,0]=4 3758 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](O)CF 62a_100011216686_100015614560 [0,1,0,0,0,0|2,1,0]=4 3759 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](O)CF 62a_100015614560_100011216686 [0,1,0,0,0,0|2,1,0]=4 3760 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_100011216686 [0,1,0,0,0,0|1,1,0]=3 3761 B14R1.727 Cc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100011216686_100009815848 [0,1,0,0,0,0|1,1,0]=3 3762 B14R1.727 Cc1ccc(c(c1)O)NCC(O)CO 34a_100000211527_100011219619 [0,1,0,0,0,0|2,0,0]=3 3763 B14R1.727 Cc1ccc(c(c1)O)NC[C@@H](C)CO 34a_100000211527_100000059175 [0,1,0,0,0,0|3,0,0]=4 3764 B14R1.727 Cc1ccc(c(c1)O)NC[C@@H](O)CF 34a_100000211527_100015614560 [0,1,0,0,0,0|3,0,0]=4 3765 B14R1.727 Cc1ccc(c(c1)O)NC[C@@H](O)CO 34a_100000211527_100009815848 [0,1,0,0,0,0|2,0,0]=3 3766 B14R1.727 Cc1ccc(c(c1)O)SCC(O)CO 62a_100011219619_100012002257 [0,1,0,0,0,0|1,1,0]=3 3767 B14R1.727 Cc1ccc(c(c1)O)SCC(O)CO 62a_100012002257_100011219619 [0,1,0,0,0,0|1,1,0]=3 3768 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](C)CO 62a_100000059175_100012002257 [0,1,0,0,0,0|2,1,0]=4 3769 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](C)CO 62a_100012002257_100000059175 [0,1,0,0,0,0|2,1,0]=4 3770 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CF 62a_100012002257_100015614560 [0,1,0,0,0,0|2,1,0]=4 3771 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CF 62a_100015614560_100012002257 [0,1,0,0,0,0|2,1,0]=4 3772 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100012002257 [0,1,0,0,0,0|1,1,0]=3 3773 B14R1.727 Cc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100012002257_100009815848 [0,1,0,0,0,0|1,1,0]=3 3774 B14R1.727 Cc1ccc(c(n1)Br)OCC(O)CO 34a_100000702858_100011219619 [0,1,0,0,0,0|2,0,0]=3 3775 B14R1.727 Cc1ccc(c(n1)Br)OCC(O)CO 7a_100000702858_100011219619 [0,1,0,0,0,0|2,0,0]=3 3776 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](C)CO 34a_100000702858_100000059175 [0,1,0,0,0,0|3,0,0]=4 3777 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](C)CO 7a_100000702858_100000059175 [0,1,0,0,0,0|3,0,0]=4 3778 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](O)CF 34a_100000702858_100015614560 [0,1,0,0,0,0|3,0,0]=4 3779 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](O)CF 7a_100000702858_100015614560 [0,1,0,0,0,0|3,0,0]=4 3780 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](O)CO 34a_100000702858_100009815848 [0,1,0,0,0,0|2,0,0]=3 3781 B14R1.727 Cc1ccc(c(n1)Br)OC[C@@H](O)CO 7a_100000702858_100009815848 [0,1,0,0,0,0|2,0,0]=3 3782 B14R1.727 Cc1ccc(c(n1)C)OCC(O)CO 34a_100011218912_100011219619 [0,1,0,0,0,0|2,0,0]=3 3783 B14R1.727 Cc1ccc(c(n1)C)OCC(O)CO 7a_100011218912_100011219619 [0,1,0,0,0,0|2,0,0]=3 3784 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](C)CO 34a_100011218912_100000059175 [0,1,0,0,0,0|3,0,0]=4 3785 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](C)CO 7a_100011218912_100000059175 [0,1,0,0,0,0|3,0,0]=4 3786 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CF 34a_100011218912_100015614560 [0,1,0,0,0,0|3,0,0]=4 3787 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CF 7a_100011218912_100015614560 [0,1,0,0,0,0|3,0,0]=4 3788 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CO 34a_100011218912_100009815848 [0,1,0,0,0,0|2,0,0]=3 3789 B14R1.727 Cc1ccc(c(n1)C)OC[C@@H](O)CO 7a_100011218912_100009815848 [0,1,0,0,0,0|2,0,0]=3 3790 B14R1.727 Cc1ccc(c(n1)C)SCC(O)CO 62a_100009813853_100011219619 [0,1,0,0,0,0|2,1,0]=4 3791 B14R1.727 Cc1ccc(c(n1)C)SCC(O)CO 62a_100011219619_100009813853 [0,1,0,0,0,0|2,1,0]=4 3792 B14R1.727 Cc1ccc(c(n1)C)SC[C@@H](O)CO 62a_100009813853_100009815848 [0,1,0,0,0,0|2,1,0]=4 3793 B14R1.727 Cc1ccc(c(n1)C)SC[C@@H](O)CO 62a_100009815848_100009813853 [0,1,0,0,0,0|2,1,0]=4 3794 B14R1.727 Cc1ccc(c(n1)Cl)OCC(O)CO 34a_100000086286_100011219619 [0,1,0,0,0,0|2,0,0]=3 3795 B14R1.727 Cc1ccc(c(n1)Cl)OCC(O)CO 7a_100000086286_100011219619 [0,1,0,0,0,0|2,0,0]=3 3796 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](C)CO 34a_100000086286_100000059175 [0,1,0,0,0,0|3,0,0]=4 3797 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](C)CO 7a_100000086286_100000059175 [0,1,0,0,0,0|3,0,0]=4 3798 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](O)CF 34a_100000086286_100015614560 [0,1,0,0,0,0|3,0,0]=4 3799 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](O)CF 7a_100000086286_100015614560 [0,1,0,0,0,0|3,0,0]=4 3800 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](O)CO 34a_100000086286_100009815848 [0,1,0,0,0,0|2,0,0]=3 3801 B14R1.727 Cc1ccc(c(n1)Cl)OC[C@@H](O)CO 7a_100000086286_100009815848 [0,1,0,0,0,0|2,0,0]=3 3802 B14R1.727 Cc1ccc(c(n1)F)OCC(O)CO 34a_100000079963_100011219619 [0,1,0,0,0,0|2,0,0]=3 3803 B14R1.727 Cc1ccc(c(n1)F)OCC(O)CO 7a_100000079963_100011219619 [0,1,0,0,0,0|2,0,0]=3 3804 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](C)CO 34a_100000079963_100000059175 [0,1,0,0,0,0|3,0,0]=4 3805 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](C)CO 7a_100000079963_100000059175 [0,1,0,0,0,0|3,0,0]=4 3806 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](O)CF 34a_100000079963_100015614560 [0,1,0,0,0,0|3,0,0]=4 3807 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](O)CF 7a_100000079963_100015614560 [0,1,0,0,0,0|3,0,0]=4 3808 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](O)CO 34a_100000079963_100009815848 [0,1,0,0,0,0|2,0,0]=3 3809 B14R1.727 Cc1ccc(c(n1)F)OC[C@@H](O)CO 7a_100000079963_100009815848 [0,1,0,0,0,0|2,0,0]=3 3810 B14R1.727 Cc1ccc(c(n1)F)SCC(O)CO 62a_100010006597_100011219619 [0,1,0,0,0,0|2,1,0]=4 3811 B14R1.727 Cc1ccc(c(n1)F)SCC(O)CO 62a_100011219619_100010006597 [0,1,0,0,0,0|2,1,0]=4 3812 B14R1.727 Cc1ccc(c(n1)F)SC[C@@H](O)CO 62a_100009815848_100010006597 [0,1,0,0,0,0|2,1,0]=4 3813 B14R1.727 Cc1ccc(c(n1)F)SC[C@@H](O)CO 62a_100010006597_100009815848 [0,1,0,0,0,0|2,1,0]=4 3814 B14R1.727 Cc1ccc(c(n1)I)OCC(O)CO 34a_100000023897_100011219619 [0,1,0,0,0,0|2,0,0]=3 3815 B14R1.727 Cc1ccc(c(n1)I)OCC(O)CO 7a_100000023897_100011219619 [0,1,0,0,0,0|2,0,0]=3 3816 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](C)CO 34a_100000023897_100000059175 [0,1,0,0,0,0|3,0,0]=4 3817 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](C)CO 7a_100000023897_100000059175 [0,1,0,0,0,0|3,0,0]=4 3818 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](O)CF 34a_100000023897_100015614560 [0,1,0,0,0,0|3,0,0]=4 3819 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](O)CF 7a_100000023897_100015614560 [0,1,0,0,0,0|3,0,0]=4 3820 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](O)CO 34a_100000023897_100009815848 [0,1,0,0,0,0|2,0,0]=3 3821 B14R1.727 Cc1ccc(c(n1)I)OC[C@@H](O)CO 7a_100000023897_100009815848 [0,1,0,0,0,0|2,0,0]=3 3822 B14R1.727 Cc1ccc(c(n1)N)OCC(O)CO 34a_100000694039_100011219619 [0,1,0,0,0,0|2,0,0]=3 3823 B14R1.727 Cc1ccc(c(n1)N)OCC(O)CO 7a_100000694039_100011219619 [0,1,0,0,0,0|2,0,0]=3 3824 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](C)CO 34a_100000694039_100000059175 [0,1,0,0,0,0|3,0,0]=4 3825 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](C)CO 7a_100000694039_100000059175 [0,1,0,0,0,0|3,0,0]=4 3826 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](O)CF 34a_100000694039_100015614560 [0,1,0,0,0,0|3,0,0]=4 3827 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](O)CF 7a_100000694039_100015614560 [0,1,0,0,0,0|3,0,0]=4 3828 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](O)CO 34a_100000694039_100009815848 [0,1,0,0,0,0|2,0,0]=3 3829 B14R1.727 Cc1ccc(c(n1)N)OC[C@@H](O)CO 7a_100000694039_100009815848 [0,1,0,0,0,0|2,0,0]=3 3830 B14R1.727 Cc1ccc(c(n1)N)SCC(O)CO 62a_100009816662_100011219619 [0,1,0,0,0,0|2,1,0]=4 3831 B14R1.727 Cc1ccc(c(n1)N)SCC(O)CO 62a_100011219619_100009816662 [0,1,0,0,0,0|2,1,0]=4 3832 B14R1.727 Cc1ccc(c(n1)N)SC[C@@H](O)CO 62a_100009815848_100009816662 [0,1,0,0,0,0|2,1,0]=4 3833 B14R1.727 Cc1ccc(c(n1)N)SC[C@@H](O)CO 62a_100009816662_100009815848 [0,1,0,0,0,0|2,1,0]=4 3834 B14R1.727 Cc1ccc(c(n1)O)SCC(O)CO 62a_100009817604_100011219619 [0,1,0,0,0,0|2,1,0]=4 3835 B14R1.727 Cc1ccc(c(n1)O)SCC(O)CO 62a_100011219619_100009817604 [0,1,0,0,0,0|2,1,0]=4 3836 B14R1.727 Cc1ccc(c(n1)O)SC[C@@H](O)CO 62a_100009815848_100009817604 [0,1,0,0,0,0|2,1,0]=4 3837 B14R1.727 Cc1ccc(c(n1)O)SC[C@@H](O)CO 62a_100009817604_100009815848 [0,1,0,0,0,0|2,1,0]=4 3838 B14R1.727 Cc1cnc(c(c1)Br)OCC(O)CO 34a_100000719714_100011219619 [0,1,0,0,0,0|2,0,0]=3 3839 B14R1.727 Cc1cnc(c(c1)Br)OC[C@@H](C)CO 34a_100000719714_100000059175 [0,1,0,0,0,0|3,0,0]=4 3840 B14R1.727 Cc1cnc(c(c1)Br)OC[C@@H](O)CF 34a_100000719714_100015614560 [0,1,0,0,0,0|3,0,0]=4 3841 B14R1.727 Cc1cnc(c(c1)Br)OC[C@@H](O)CO 34a_100000719714_100009815848 [0,1,0,0,0,0|2,0,0]=3 3842 B14R1.727 Cc1cnc(c(c1)C)SCC(O)CO 62a_100009864548_100011219619 [0,1,0,0,0,0|2,1,0]=4 3843 B14R1.727 Cc1cnc(c(c1)C)SCC(O)CO 62a_100011219619_100009864548 [0,1,0,0,0,0|2,1,0]=4 3844 B14R1.727 Cc1cnc(c(c1)C)SC[C@@H](O)CO 62a_100009815848_100009864548 [0,1,0,0,0,0|2,1,0]=4 3845 B14R1.727 Cc1cnc(c(c1)C)SC[C@@H](O)CO 62a_100009864548_100009815848 [0,1,0,0,0,0|2,1,0]=4 3846 B14R1.727 Cc1cnc(c(c1)F)SCC(O)CO 62a_100009819633_100011219619 [0,1,0,0,0,0|2,1,0]=4 3847 B14R1.727 Cc1cnc(c(c1)F)SCC(O)CO 62a_100011219619_100009819633 [0,1,0,0,0,0|2,1,0]=4 3848 B14R1.727 Cc1cnc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100009819633 [0,1,0,0,0,0|2,1,0]=4 3849 B14R1.727 Cc1cnc(c(c1)F)SC[C@@H](O)CO 62a_100009819633_100009815848 [0,1,0,0,0,0|2,1,0]=4 3850 B14R1.727 Cc1cnc(c(c1)N)OCC(O)CO 34a_100012000488_100011219619 [0,1,0,0,0,0|2,0,0]=3 3851 B14R1.727 Cc1cnc(c(c1)N)OC[C@@H](C)CO 34a_100012000488_100000059175 [0,1,0,0,0,0|3,0,0]=4 3852 B14R1.727 Cc1cnc(c(c1)N)OC[C@@H](O)CF 34a_100012000488_100015614560 [0,1,0,0,0,0|3,0,0]=4 3853 B14R1.727 Cc1cnc(c(c1)N)OC[C@@H](O)CO 34a_100012000488_100009815848 [0,1,0,0,0,0|2,0,0]=3 3854 B14R1.727 Cc1cnc(c(c1)N)SCC(O)CO 62a_100000733613_100011219619 [0,1,0,0,0,0|2,1,0]=4 3855 B14R1.727 Cc1cnc(c(c1)N)SCC(O)CO 62a_100011219619_100000733613 [0,1,0,0,0,0|2,1,0]=4 3856 B14R1.727 Cc1cnc(c(c1)N)SC[C@@H](O)CO 62a_100000733613_100009815848 [0,1,0,0,0,0|2,1,0]=4 3857 B14R1.727 Cc1cnc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_100000733613 [0,1,0,0,0,0|2,1,0]=4 3858 B14R1.727 Cc1cnc(c(c1)O)SCC(O)CO 62a_100011219619_100012000487 [0,1,0,0,0,0|2,1,0]=4 3859 B14R1.727 Cc1cnc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100012000487 [0,1,0,0,0,0|2,1,0]=4 3860 B14R1.727 Cc1nc(ccc1OCC(O)CO)Br 34a_100012002022_100011219619 [0,1,0,0,0,0|1,1,0]=3 3861 B14R1.727 Cc1nc(ccc1OCC(O)CO)Br 7a_100012002022_100011219619 [0,1,0,0,0,0|1,1,0]=3 3862 B14R1.727 Cc1nc(ccc1OCC(O)CO)Cl 34a_100012184626_100011219619 [0,1,0,0,0,0|1,0,0]=2 3863 B14R1.727 Cc1nc(ccc1OCC(O)CO)Cl 7a_100012184626_100011219619 [0,1,0,0,0,0|1,0,0]=2 3864 B14R1.727 Cc1nc(ccc1OCC(O)CO)F 34a_100009881036_100011219619 [0,1,0,0,0,0|1,1,0]=3 3865 B14R1.727 Cc1nc(ccc1OCC(O)CO)F 7a_100009881036_100011219619 [0,1,0,0,0,0|1,1,0]=3 3866 B14R1.727 Cc1nc(ccc1OCC(O)CO)I 34a_100010233687_100011219619 [0,1,0,0,0,0|1,1,0]=3 3867 B14R1.727 Cc1nc(ccc1OCC(O)CO)I 7a_100010233687_100011219619 [0,1,0,0,0,0|1,1,0]=3 3868 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Br 34a_100012002022_100000059175 [0,1,0,0,0,0|2,1,0]=4 3869 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Br 7a_100012002022_100000059175 [0,1,0,0,0,0|2,1,0]=4 3870 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Cl 34a_100012184626_100000059175 [0,1,0,0,0,0|2,0,0]=3 3871 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)Cl 7a_100012184626_100000059175 [0,1,0,0,0,0|2,0,0]=3 3872 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)F 34a_100009881036_100000059175 [0,1,0,0,0,0|2,1,0]=4 3873 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)F 7a_100009881036_100000059175 [0,1,0,0,0,0|2,1,0]=4 3874 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)I 34a_100010233687_100000059175 [0,1,0,0,0,0|2,1,0]=4 3875 B14R1.727 Cc1nc(ccc1OC[C@@H](C)CO)I 7a_100010233687_100000059175 [0,1,0,0,0,0|2,1,0]=4 3876 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Br 34a_100012002022_100015614560 [0,1,0,0,0,0|2,1,0]=4 3877 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Br 7a_100012002022_100015614560 [0,1,0,0,0,0|2,1,0]=4 3878 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Cl 34a_100012184626_100015614560 [0,1,0,0,0,0|2,0,0]=3 3879 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)Cl 7a_100012184626_100015614560 [0,1,0,0,0,0|2,0,0]=3 3880 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)F 34a_100009881036_100015614560 [0,1,0,0,0,0|2,1,0]=4 3881 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)F 7a_100009881036_100015614560 [0,1,0,0,0,0|2,1,0]=4 3882 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)I 34a_100010233687_100015614560 [0,1,0,0,0,0|2,1,0]=4 3883 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CF)I 7a_100010233687_100015614560 [0,1,0,0,0,0|2,1,0]=4 3884 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Br 34a_100012002022_100009815848 [0,1,0,0,0,0|1,1,0]=3 3885 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Br 7a_100012002022_100009815848 [0,1,0,0,0,0|1,1,0]=3 3886 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Cl 34a_100012184626_100009815848 [0,1,0,0,0,0|1,0,0]=2 3887 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)Cl 7a_100012184626_100009815848 [0,1,0,0,0,0|1,0,0]=2 3888 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)F 34a_100009881036_100009815848 [0,1,0,0,0,0|1,1,0]=3 3889 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)F 7a_100009881036_100009815848 [0,1,0,0,0,0|1,1,0]=3 3890 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)I 34a_100010233687_100009815848 [0,1,0,0,0,0|1,1,0]=3 3891 B14R1.727 Cc1nc(ccc1OC[C@@H](O)CO)I 7a_100010233687_100009815848 [0,1,0,0,0,0|1,1,0]=3 3892 B14R1.727 Cc1nc(ccc1SCC(O)CO)Cl 62a_100000062408_100011219619 [0,1,0,0,0,0|1,1,0]=3 3893 B14R1.727 Cc1nc(ccc1SCC(O)CO)Cl 62a_100011219619_100000062408 [0,1,0,0,0,0|1,1,0]=3 3894 B14R1.727 Cc1nc(ccc1SCC(O)CO)F 62a_100000688911_100011219619 [0,1,0,0,0,0|1,2,0]=4 3895 B14R1.727 Cc1nc(ccc1SCC(O)CO)F 62a_100011219619_100000688911 [0,1,0,0,0,0|1,2,0]=4 3896 B14R1.727 Cc1nc(ccc1SCC(O)CO)N 62a_100000187202_100011219619 [0,1,0,0,0,0|2,1,0]=4 3897 B14R1.727 Cc1nc(ccc1SCC(O)CO)N 62a_100011219619_100000187202 [0,1,0,0,0,0|2,1,0]=4 3898 B14R1.727 Cc1nc(ccc1SCC(O)CO)O 62a_100000691680_100011219619 [0,1,0,0,0,0|2,1,0]=4 3899 B14R1.727 Cc1nc(ccc1SCC(O)CO)O 62a_100011219619_100000691680 [0,1,0,0,0,0|2,1,0]=4 3900 B14R1.727 Cc1nc(ccc1SC[C@@H](C)CO)Cl 62a_100000059175_100000062408 [0,1,0,0,0,0|2,1,0]=4 3901 B14R1.727 Cc1nc(ccc1SC[C@@H](C)CO)Cl 62a_100000062408_100000059175 [0,1,0,0,0,0|2,1,0]=4 3902 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CF)Cl 62a_100000062408_100015614560 [0,1,0,0,0,0|2,1,0]=4 3903 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100000062408 [0,1,0,0,0,0|2,1,0]=4 3904 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)Cl 62a_100000062408_100009815848 [0,1,0,0,0,0|1,1,0]=3 3905 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100000062408 [0,1,0,0,0,0|1,1,0]=3 3906 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)F 62a_100000688911_100009815848 [0,1,0,0,0,0|1,2,0]=4 3907 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000688911 [0,1,0,0,0,0|1,2,0]=4 3908 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)N 62a_100000187202_100009815848 [0,1,0,0,0,0|2,1,0]=4 3909 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100000187202 [0,1,0,0,0,0|2,1,0]=4 3910 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)O 62a_100000691680_100009815848 [0,1,0,0,0,0|2,1,0]=4 3911 B14R1.727 Cc1nc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100000691680 [0,1,0,0,0,0|2,1,0]=4 3912 B14R1.727 Cc1ncc(c(n1)C)OCC(O)CO 34a_100009864123_100011219619 [0,1,0,0,0,0|3,0,0]=4 3913 B14R1.727 Cc1ncc(c(n1)C)OCC(O)CO 7a_100009864123_100011219619 [0,1,0,0,0,0|3,0,0]=4 3914 B14R1.727 Cc1ncc(c(n1)C)OC[C@@H](O)CO 34a_100009864123_100009815848 [0,1,0,0,0,0|3,0,0]=4 3915 B14R1.727 Cc1ncc(c(n1)C)OC[C@@H](O)CO 7a_100009864123_100009815848 [0,1,0,0,0,0|3,0,0]=4 3916 B14R1.727 Nc1[nH]c(=O)ccc1SCC(O)CO 62a_100009884077_100011219619 [0,1,0,0,0,0|2,1,0]=4 3917 B14R1.727 Nc1[nH]c(=O)ccc1SC[C@@H](O)CO 62a_100009884077_100009815848 [0,1,0,0,0,0|2,1,0]=4 3918 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)Br 62a_100010074611_100011219619 [0,1,0,0,0,0|2,1,0]=4 3919 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)Br 62a_100011219619_100010074611 [0,1,0,0,0,0|2,1,0]=4 3920 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)Cl 62a_100000694920_100011219619 [0,1,0,0,0,0|2,1,0]=4 3921 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)Cl 62a_100011219619_100000694920 [0,1,0,0,0,0|2,1,0]=4 3922 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)F 62a_100009844730_100011219619 [0,1,0,0,0,0|2,1,0]=4 3923 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)F 62a_100011219619_100009844730 [0,1,0,0,0,0|2,1,0]=4 3924 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)N 62a_100011219619_200009857908 [0,1,0,0,0,0|2,1,0]=4 3925 B14R1.727 Nc1cc(c(cn1)SCC(O)CO)N 62a_200009857908_100011219619 [0,1,0,0,0,0|2,1,0]=4 3926 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)Br 62a_100009815848_100010074611 [0,1,0,0,0,0|2,1,0]=4 3927 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)Br 62a_100010074611_100009815848 [0,1,0,0,0,0|2,1,0]=4 3928 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)Cl 62a_100000694920_100009815848 [0,1,0,0,0,0|2,1,0]=4 3929 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)Cl 62a_100009815848_100000694920 [0,1,0,0,0,0|2,1,0]=4 3930 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)F 62a_100009815848_100009844730 [0,1,0,0,0,0|2,1,0]=4 3931 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)F 62a_100009844730_100009815848 [0,1,0,0,0,0|2,1,0]=4 3932 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)N 62a_100009815848_200009857908 [0,1,0,0,0,0|2,1,0]=4 3933 B14R1.727 Nc1cc(c(cn1)SC[C@@H](O)CO)N 62a_200009857908_100009815848 [0,1,0,0,0,0|2,1,0]=4 3934 B14R1.727 Nc1cc(ccc1OCC(O)CO)Br 34a_100000752626_100011219619 [0,1,0,0,0,0|0,1,0]=2 3935 B14R1.727 Nc1cc(ccc1OCC(O)CO)Br 7a_100000752626_100011219619 [0,1,0,0,0,0|0,1,0]=2 3936 B14R1.727 Nc1cc(ccc1OCC(O)CO)Cl 34a_100000210500_100011219619 [0,1,0,0,0,0|0,0,0]=1 3937 B14R1.727 Nc1cc(ccc1OCC(O)CO)Cl 7a_100000210500_100011219619 [0,1,0,0,0,0|0,0,0]=1 3938 B14R1.727 Nc1cc(ccc1OCC(O)CO)F 34a_100000759472_100011219619 [0,1,0,0,0,0|0,1,0]=2 3939 B14R1.727 Nc1cc(ccc1OCC(O)CO)F 7a_100000759472_100011219619 [0,1,0,0,0,0|0,1,0]=2 3940 B14R1.727 Nc1cc(ccc1OCC(O)CO)I 34a_100000753495_100011219619 [0,1,0,0,0,0|0,1,0]=2 3941 B14R1.727 Nc1cc(ccc1OCC(O)CO)I 7a_100000753495_100011219619 [0,1,0,0,0,0|0,1,0]=2 3942 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000752626_100015614560 [0,1,0,0,0,0|1,1,0]=3 3943 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000752626_100015614560 [0,1,0,0,0,0|1,1,0]=3 3944 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000210500_100015614560 [0,1,0,0,0,0|1,0,0]=2 3945 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100000210500_100015614560 [0,1,0,0,0,0|1,0,0]=2 3946 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)F 34a_100000759472_100015614560 [0,1,0,0,0,0|1,1,0]=3 3947 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)F 7a_100000759472_100015614560 [0,1,0,0,0,0|1,1,0]=3 3948 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)I 34a_100000753495_100015614560 [0,1,0,0,0,0|1,1,0]=3 3949 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CF)I 7a_100000753495_100015614560 [0,1,0,0,0,0|1,1,0]=3 3950 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000752626_100009815848 [0,1,0,0,0,0|0,1,0]=2 3951 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000752626_100009815848 [0,1,0,0,0,0|0,1,0]=2 3952 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000210500_100009815848 [0,1,0,0,0,0|0,0,0]=1 3953 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100000210500_100009815848 [0,1,0,0,0,0|0,0,0]=1 3954 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)F 34a_100000759472_100009815848 [0,1,0,0,0,0|0,1,0]=2 3955 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)F 7a_100000759472_100009815848 [0,1,0,0,0,0|0,1,0]=2 3956 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)I 34a_100000753495_100009815848 [0,1,0,0,0,0|0,1,0]=2 3957 B14R1.727 Nc1cc(ccc1OC[C@@H](O)CO)I 7a_100000753495_100009815848 [0,1,0,0,0,0|0,1,0]=2 3958 B14R1.727 Nc1cc(ccc1SCC(O)CO)Br 62a_100000743836_100011219619 [0,1,0,0,0,0|0,2,0]=3 3959 B14R1.727 Nc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100000743836 [0,1,0,0,0,0|0,2,0]=3 3960 B14R1.727 Nc1cc(ccc1SCC(O)CO)Cl 62a_100000761886_100011219619 [0,1,0,0,0,0|0,1,0]=2 3961 B14R1.727 Nc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100000761886 [0,1,0,0,0,0|0,1,0]=2 3962 B14R1.727 Nc1cc(ccc1SCC(O)CO)F 62a_100000687223_100011219619 [0,1,0,0,0,0|0,2,0]=3 3963 B14R1.727 Nc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000687223 [0,1,0,0,0,0|0,2,0]=3 3964 B14R1.727 Nc1cc(ccc1SCC(O)CO)O 62a_100011219619_100011999798 [0,1,0,0,0,0|1,1,0]=3 3965 B14R1.727 Nc1cc(ccc1SCC(O)CO)O 62a_100011999798_100011219619 [0,1,0,0,0,0|1,1,0]=3 3966 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)Br 62a_100000743836_100015614560 [0,1,0,0,0,0|1,2,0]=4 3967 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)Br 62a_100015614560_100000743836 [0,1,0,0,0,0|1,2,0]=4 3968 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100000761886_100015614560 [0,1,0,0,0,0|1,1,0]=3 3969 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100000761886 [0,1,0,0,0,0|1,1,0]=3 3970 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)F 62a_100000687223_100015614560 [0,1,0,0,0,0|1,2,0]=4 3971 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_100000687223 [0,1,0,0,0,0|1,2,0]=4 3972 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)O 62a_100011999798_100015614560 [0,1,0,0,0,0|2,1,0]=4 3973 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CF)O 62a_100015614560_100011999798 [0,1,0,0,0,0|2,1,0]=4 3974 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Br 62a_100000743836_100009815848 [0,1,0,0,0,0|0,2,0]=3 3975 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100000743836 [0,1,0,0,0,0|0,2,0]=3 3976 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100000761886_100009815848 [0,1,0,0,0,0|0,1,0]=2 3977 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100000761886 [0,1,0,0,0,0|0,1,0]=2 3978 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)F 62a_100000687223_100009815848 [0,1,0,0,0,0|0,2,0]=3 3979 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000687223 [0,1,0,0,0,0|0,2,0]=3 3980 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100011999798 [0,1,0,0,0,0|1,1,0]=3 3981 B14R1.727 Nc1cc(ccc1SC[C@@H](O)CO)O 62a_100011999798_100009815848 [0,1,0,0,0,0|1,1,0]=3 3982 B14R1.727 Nc1cc(cnc1OCC(O)CO)Br 34a_100000743729_100011219619 [0,1,0,0,0,0|1,1,0]=3 3983 B14R1.727 Nc1cc(cnc1OCC(O)CO)Cl 34a_100011998249_100011219619 [0,1,0,0,0,0|1,0,0]=2 3984 B14R1.727 Nc1cc(cnc1OC[C@@H](O)CF)Br 34a_100000743729_100015614560 [0,1,0,0,0,0|2,1,0]=4 3985 B14R1.727 Nc1cc(cnc1OC[C@@H](O)CF)Cl 34a_100011998249_100015614560 [0,1,0,0,0,0|2,0,0]=3 3986 B14R1.727 Nc1cc(cnc1OC[C@@H](O)CO)Br 34a_100000743729_100009815848 [0,1,0,0,0,0|1,1,0]=3 3987 B14R1.727 Nc1cc(cnc1OC[C@@H](O)CO)Cl 34a_100011998249_100009815848 [0,1,0,0,0,0|1,0,0]=2 3988 B14R1.727 Nc1cc(cnc1SCC(O)CO)Br 62a_100010090555_100011219619 [0,1,0,0,0,0|1,2,0]=4 3989 B14R1.727 Nc1cc(cnc1SCC(O)CO)Br 62a_100011219619_100010090555 [0,1,0,0,0,0|1,2,0]=4 3990 B14R1.727 Nc1cc(cnc1SCC(O)CO)F 62a_100009817643_100011219619 [0,1,0,0,0,0|1,2,0]=4 3991 B14R1.727 Nc1cc(cnc1SCC(O)CO)F 62a_100011219619_100009817643 [0,1,0,0,0,0|1,2,0]=4 3992 B14R1.727 Nc1cc(cnc1SC[C@@H](O)CO)Br 62a_100009815848_100010090555 [0,1,0,0,0,0|1,2,0]=4 3993 B14R1.727 Nc1cc(cnc1SC[C@@H](O)CO)Br 62a_100010090555_100009815848 [0,1,0,0,0,0|1,2,0]=4 3994 B14R1.727 Nc1cc(cnc1SC[C@@H](O)CO)F 62a_100009815848_100009817643 [0,1,0,0,0,0|1,2,0]=4 3995 B14R1.727 Nc1cc(cnc1SC[C@@H](O)CO)F 62a_100009817643_100009815848 [0,1,0,0,0,0|1,2,0]=4 3996 B14R1.727 Nc1cc(ncc1OCC(O)CO)Br 34a_100009819941_100011219619 [0,1,0,0,0,0|1,1,0]=3 3997 B14R1.727 Nc1cc(ncc1OCC(O)CO)Br 7a_100009819941_100011219619 [0,1,0,0,0,0|1,1,0]=3 3998 B14R1.727 Nc1cc(ncc1OC[C@@H](O)CF)Br 34a_100009819941_100015614560 [0,1,0,0,0,0|2,1,0]=4 3999 B14R1.727 Nc1cc(ncc1OC[C@@H](O)CF)Br 7a_100009819941_100015614560 [0,1,0,0,0,0|2,1,0]=4 4000 B14R1.727 Nc1cc(ncc1OC[C@@H](O)CO)Br 34a_100009819941_100009815848 [0,1,0,0,0,0|1,1,0]=3 4001 B14R1.727 Nc1cc(ncc1OC[C@@H](O)CO)Br 7a_100009819941_100009815848 [0,1,0,0,0,0|1,1,0]=3 4002 B14R1.727 Nc1cc(ncc1SCC(O)CO)Cl 62a_100010209552_100011219619 [0,1,0,0,0,0|1,1,0]=3 4003 B14R1.727 Nc1cc(ncc1SCC(O)CO)Cl 62a_100011219619_100010209552 [0,1,0,0,0,0|1,1,0]=3 4004 B14R1.727 Nc1cc(ncc1SC[C@@H](O)CF)Cl 62a_100010209552_100015614560 [0,1,0,0,0,0|2,1,0]=4 4005 B14R1.727 Nc1cc(ncc1SC[C@@H](O)CF)Cl 62a_100015614560_100010209552 [0,1,0,0,0,0|2,1,0]=4 4006 B14R1.727 Nc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100009815848_100010209552 [0,1,0,0,0,0|1,1,0]=3 4007 B14R1.727 Nc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100010209552_100009815848 [0,1,0,0,0,0|1,1,0]=3 4008 B14R1.727 Nc1ccc(c(c1)Br)OCC(O)CO 34a_100011534360_100011219619 [0,1,0,0,0,0|1,0,0]=2 4009 B14R1.727 Nc1ccc(c(c1)Br)OCC(O)CO 7a_100011534360_100011219619 [0,1,0,0,0,0|1,0,0]=2 4010 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100011534360_100015614560 [0,1,0,0,0,0|2,0,0]=3 4011 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100011534360_100015614560 [0,1,0,0,0,0|2,0,0]=3 4012 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100011534360_100009815848 [0,1,0,0,0,0|1,0,0]=2 4013 B14R1.727 Nc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100011534360_100009815848 [0,1,0,0,0,0|1,0,0]=2 4014 B14R1.727 Nc1ccc(c(c1)Br)SCC(O)CO 62a_100000750458_100011219619 [0,1,0,0,0,0|1,1,0]=3 4015 B14R1.727 Nc1ccc(c(c1)Br)SCC(O)CO 62a_100011219619_100000750458 [0,1,0,0,0,0|1,1,0]=3 4016 B14R1.727 Nc1ccc(c(c1)Br)SC[C@@H](O)CF 62a_100000750458_100015614560 [0,1,0,0,0,0|2,1,0]=4 4017 B14R1.727 Nc1ccc(c(c1)Br)SC[C@@H](O)CF 62a_100015614560_100000750458 [0,1,0,0,0,0|2,1,0]=4 4018 B14R1.727 Nc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100000750458_100009815848 [0,1,0,0,0,0|1,1,0]=3 4019 B14R1.727 Nc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009815848_100000750458 [0,1,0,0,0,0|1,1,0]=3 4020 B14R1.727 Nc1ccc(c(c1)Cl)OCC(O)CO 34a_100000744943_100011219619 [0,1,0,0,0,0|1,0,0]=2 4021 B14R1.727 Nc1ccc(c(c1)Cl)OCC(O)CO 7a_100000744943_100011219619 [0,1,0,0,0,0|1,0,0]=2 4022 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CF 34a_100000744943_100015614560 [0,1,0,0,0,0|2,0,0]=3 4023 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CF 7a_100000744943_100015614560 [0,1,0,0,0,0|2,0,0]=3 4024 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000744943_100009815848 [0,1,0,0,0,0|1,0,0]=2 4025 B14R1.727 Nc1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000744943_100009815848 [0,1,0,0,0,0|1,0,0]=2 4026 B14R1.727 Nc1ccc(c(c1)Cl)SCC(O)CO 62a_100000761885_100011219619 [0,1,0,0,0,0|1,1,0]=3 4027 B14R1.727 Nc1ccc(c(c1)Cl)SCC(O)CO 62a_100011219619_100000761885 [0,1,0,0,0,0|1,1,0]=3 4028 B14R1.727 Nc1ccc(c(c1)Cl)SC[C@@H](O)CF 62a_100000761885_100015614560 [0,1,0,0,0,0|2,1,0]=4 4029 B14R1.727 Nc1ccc(c(c1)Cl)SC[C@@H](O)CF 62a_100015614560_100000761885 [0,1,0,0,0,0|2,1,0]=4 4030 B14R1.727 Nc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100000761885_100009815848 [0,1,0,0,0,0|1,1,0]=3 4031 B14R1.727 Nc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100009815848_100000761885 [0,1,0,0,0,0|1,1,0]=3 4032 B14R1.727 Nc1ccc(c(c1)F)OCC(O)CO 34a_100011220035_100011219619 [0,1,0,0,0,0|1,0,0]=2 4033 B14R1.727 Nc1ccc(c(c1)F)OCC(O)CO 7a_100011220035_100011219619 [0,1,0,0,0,0|1,0,0]=2 4034 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CF 34a_100011220035_100015614560 [0,1,0,0,0,0|2,0,0]=3 4035 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CF 7a_100011220035_100015614560 [0,1,0,0,0,0|2,0,0]=3 4036 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CO 34a_100011220035_100009815848 [0,1,0,0,0,0|1,0,0]=2 4037 B14R1.727 Nc1ccc(c(c1)F)OC[C@@H](O)CO 7a_100011220035_100009815848 [0,1,0,0,0,0|1,0,0]=2 4038 B14R1.727 Nc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100011356925 [0,1,0,0,0,0|1,1,0]=3 4039 B14R1.727 Nc1ccc(c(c1)F)SCC(O)CO 62a_100011356925_100011219619 [0,1,0,0,0,0|1,1,0]=3 4040 B14R1.727 Nc1ccc(c(c1)F)SC[C@@H](O)CF 62a_100011356925_100015614560 [0,1,0,0,0,0|2,1,0]=4 4041 B14R1.727 Nc1ccc(c(c1)F)SC[C@@H](O)CF 62a_100015614560_100011356925 [0,1,0,0,0,0|2,1,0]=4 4042 B14R1.727 Nc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100011356925 [0,1,0,0,0,0|1,1,0]=3 4043 B14R1.727 Nc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100011356925_100009815848 [0,1,0,0,0,0|1,1,0]=3 4044 B14R1.727 Nc1ccc(c(c1)N)OCC(O)CO 34a_100000725306_100011219619 [0,1,0,0,0,0|1,0,0]=2 4045 B14R1.727 Nc1ccc(c(c1)N)OC[C@@H](O)CF 34a_100000725306_100015614560 [0,1,0,0,0,0|2,0,0]=3 4046 B14R1.727 Nc1ccc(c(c1)N)OC[C@@H](O)CO 34a_100000725306_100009815848 [0,1,0,0,0,0|1,0,0]=2 4047 B14R1.727 Nc1ccc(c(c1)N)SCC(O)CO 62a_100011219619_200012175722 [0,1,0,0,0,0|1,1,0]=3 4048 B14R1.727 Nc1ccc(c(c1)N)SCC(O)CO 62a_200012175722_100011219619 [0,1,0,0,0,0|1,1,0]=3 4049 B14R1.727 Nc1ccc(c(c1)N)SC[C@@H](O)CF 62a_100015614560_200012175722 [0,1,0,0,0,0|2,1,0]=4 4050 B14R1.727 Nc1ccc(c(c1)N)SC[C@@H](O)CF 62a_200012175722_100015614560 [0,1,0,0,0,0|2,1,0]=4 4051 B14R1.727 Nc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_200012175722 [0,1,0,0,0,0|1,1,0]=3 4052 B14R1.727 Nc1ccc(c(c1)N)SC[C@@H](O)CO 62a_200012175722_100009815848 [0,1,0,0,0,0|1,1,0]=3 4053 B14R1.727 Nc1ccc(c(n1)Br)SCC(O)CO 62a_100010734177_100011219619 [0,1,0,0,0,0|2,1,0]=4 4054 B14R1.727 Nc1ccc(c(n1)Br)SCC(O)CO 62a_100011219619_100010734177 [0,1,0,0,0,0|2,1,0]=4 4055 B14R1.727 Nc1ccc(c(n1)Br)SC[C@@H](O)CO 62a_100009815848_100010734177 [0,1,0,0,0,0|2,1,0]=4 4056 B14R1.727 Nc1ccc(c(n1)Br)SC[C@@H](O)CO 62a_100010734177_100009815848 [0,1,0,0,0,0|2,1,0]=4 4057 B14R1.727 Nc1ccc(c(n1)Cl)SCC(O)CO 62a_100010270343_100011219619 [0,1,0,0,0,0|2,1,0]=4 4058 B14R1.727 Nc1ccc(c(n1)Cl)SCC(O)CO 62a_100011219619_100010270343 [0,1,0,0,0,0|2,1,0]=4 4059 B14R1.727 Nc1ccc(c(n1)Cl)SC[C@@H](O)CO 62a_100009815848_100010270343 [0,1,0,0,0,0|2,1,0]=4 4060 B14R1.727 Nc1ccc(c(n1)Cl)SC[C@@H](O)CO 62a_100010270343_100009815848 [0,1,0,0,0,0|2,1,0]=4 4061 B14R1.727 Nc1ccc(c(n1)F)SCC(O)CO 62a_100009882772_100011219619 [0,1,0,0,0,0|2,1,0]=4 4062 B14R1.727 Nc1ccc(c(n1)F)SCC(O)CO 62a_100011219619_100009882772 [0,1,0,0,0,0|2,1,0]=4 4063 B14R1.727 Nc1ccc(c(n1)F)SC[C@@H](O)CO 62a_100009815848_100009882772 [0,1,0,0,0,0|2,1,0]=4 4064 B14R1.727 Nc1ccc(c(n1)F)SC[C@@H](O)CO 62a_100009882772_100009815848 [0,1,0,0,0,0|2,1,0]=4 4065 B14R1.727 Nc1ccc(c(n1)N)SCC(O)CO 62a_100011356871_100011219619 [0,1,0,0,0,0|2,1,0]=4 4066 B14R1.727 Nc1ccc(c(n1)N)SC[C@@H](O)CO 62a_100011356871_100009815848 [0,1,0,0,0,0|2,1,0]=4 4067 B14R1.727 Nc1cnc(c(c1)F)SCC(O)CO 62a_100010280766_100011219619 [0,1,0,0,0,0|2,1,0]=4 4068 B14R1.727 Nc1cnc(c(c1)F)SCC(O)CO 62a_100011219619_100010280766 [0,1,0,0,0,0|2,1,0]=4 4069 B14R1.727 Nc1cnc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100010280766 [0,1,0,0,0,0|2,1,0]=4 4070 B14R1.727 Nc1cnc(c(c1)F)SC[C@@H](O)CO 62a_100010280766_100009815848 [0,1,0,0,0,0|2,1,0]=4 4071 B14R1.727 Nc1cnc(c(c1)N)SCC(O)CO 62a_100011219619_200000093520 [0,1,0,0,0,0|2,1,0]=4 4072 B14R1.727 Nc1cnc(c(c1)N)SCC(O)CO 62a_200000093520_100011219619 [0,1,0,0,0,0|2,1,0]=4 4073 B14R1.727 Nc1cnc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_200000093520 [0,1,0,0,0,0|2,1,0]=4 4074 B14R1.727 Nc1cnc(c(c1)N)SC[C@@H](O)CO 62a_200000093520_100009815848 [0,1,0,0,0,0|2,1,0]=4 4075 B14R1.727 Nc1nc(ccc1OCC(O)CO)Br 34a_100000685527_100011219619 [0,1,0,0,0,0|1,1,0]=3 4076 B14R1.727 Nc1nc(ccc1OCC(O)CO)Br 7a_100000685527_100011219619 [0,1,0,0,0,0|1,1,0]=3 4077 B14R1.727 Nc1nc(ccc1OCC(O)CO)Cl 34a_100000717809_100011219619 [0,1,0,0,0,0|1,0,0]=2 4078 B14R1.727 Nc1nc(ccc1OCC(O)CO)Cl 7a_100000717809_100011219619 [0,1,0,0,0,0|1,0,0]=2 4079 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CF)Br 34a_100000685527_100015614560 [0,1,0,0,0,0|2,1,0]=4 4080 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CF)Br 7a_100000685527_100015614560 [0,1,0,0,0,0|2,1,0]=4 4081 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CF)Cl 34a_100000717809_100015614560 [0,1,0,0,0,0|2,0,0]=3 4082 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CF)Cl 7a_100000717809_100015614560 [0,1,0,0,0,0|2,0,0]=3 4083 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Br 34a_100000685527_100009815848 [0,1,0,0,0,0|1,1,0]=3 4084 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Br 7a_100000685527_100009815848 [0,1,0,0,0,0|1,1,0]=3 4085 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Cl 34a_100000717809_100009815848 [0,1,0,0,0,0|1,0,0]=2 4086 B14R1.727 Nc1nc(ccc1OC[C@@H](O)CO)Cl 7a_100000717809_100009815848 [0,1,0,0,0,0|1,0,0]=2 4087 B14R1.727 Nc1nc(ccc1SCC(O)CO)Cl 62a_100010171640_100011219619 [0,1,0,0,0,0|1,1,0]=3 4088 B14R1.727 Nc1nc(ccc1SCC(O)CO)Cl 62a_100011219619_100010171640 [0,1,0,0,0,0|1,1,0]=3 4089 B14R1.727 Nc1nc(ccc1SCC(O)CO)F 62a_100009854977_100011219619 [0,1,0,0,0,0|1,2,0]=4 4090 B14R1.727 Nc1nc(ccc1SCC(O)CO)F 62a_100011219619_100009854977 [0,1,0,0,0,0|1,2,0]=4 4091 B14R1.727 Nc1nc(ccc1SC[C@@H](O)CF)Cl 62a_100010171640_100015614560 [0,1,0,0,0,0|2,1,0]=4 4092 B14R1.727 Nc1nc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100010171640 [0,1,0,0,0,0|2,1,0]=4 4093 B14R1.727 Nc1nc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100010171640 [0,1,0,0,0,0|1,1,0]=3 4094 B14R1.727 Nc1nc(ccc1SC[C@@H](O)CO)Cl 62a_100010171640_100009815848 [0,1,0,0,0,0|1,1,0]=3 4095 B14R1.727 Nc1nc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100009854977 [0,1,0,0,0,0|1,2,0]=4 4096 B14R1.727 Nc1nc(ccc1SC[C@@H](O)CO)F 62a_100009854977_100009815848 [0,1,0,0,0,0|1,2,0]=4 4097 B14R1.727 Nc1nc(ncc1SCC(O)CO)Cl 62a_100010196077_100011219619 [0,1,0,0,0,0|2,1,0]=4 4098 B14R1.727 Nc1nc(ncc1SCC(O)CO)Cl 62a_100011219619_100010196077 [0,1,0,0,0,0|2,1,0]=4 4099 B14R1.727 Nc1nc(ncc1SC[C@@H](O)CO)Cl 62a_100009815848_100010196077 [0,1,0,0,0,0|2,1,0]=4 4100 B14R1.727 Nc1nc(ncc1SC[C@@H](O)CO)Cl 62a_100010196077_100009815848 [0,1,0,0,0,0|2,1,0]=4 4101 B14R1.727 Nc1ncc(c(n1)N)OCC(O)CO 7a_100025726691_100011219619 [0,1,0,0,0,0|3,0,0]=4 4102 B14R1.727 Nc1ncc(c(n1)N)OC[C@@H](O)CO 7a_100025726691_100009815848 [0,1,0,0,0,0|3,0,0]=4 4103 B14R1.727 O=C(CF)COc1ccc(cc1Br)Cl 1458a_100000184090_100015361967 [0,1,0,0,0,0|1,0,2]=4 4104 B14R1.727 O=C(CF)COc1ccc(cc1Cl)Cl 1458a_100102647096_100015361967 [0,1,0,0,0,0|1,0,2]=4 4105 B14R1.727 O=C(CF)COc1ccc(cc1F)Cl 1458a_100012771990_100015361967 [0,1,0,0,0,0|1,0,2]=4 4106 B14R1.727 O=C(CF)COc1ccc(cc1O)Cl 1458a_100010174420_100015361967 [0,1,0,0,0,0|1,0,2]=4 4107 B14R1.727 O=C(CO)CCc1ccc(cc1Br)Cl 1458a_100000210174_200012945151 [0,1,0,0,0,0|1,0,2]=4 4108 B14R1.727 O=C(CO)CCc1ccc(cc1Cl)Cl 1458a_100000210174_200012161198 [0,1,0,0,0,0|1,0,2]=4 4109 B14R1.727 O=c1cc(c(c[nH]1)SCC(O)CO)F 62a_100011219619_100015631685 [0,1,0,0,0,0|2,1,0]=4 4110 B14R1.727 O=c1cc(c(c[nH]1)SCC(O)CO)F 62a_100015631685_100011219619 [0,1,0,0,0,0|2,1,0]=4 4111 B14R1.727 O=c1cc(c(c[nH]1)SC[C@@H](O)CO)F 62a_100009815848_100015631685 [0,1,0,0,0,0|2,1,0]=4 4112 B14R1.727 O=c1cc(c(c[nH]1)SC[C@@H](O)CO)F 62a_100015631685_100009815848 [0,1,0,0,0,0|2,1,0]=4 4113 B14R1.727 OCC(O)CNc1ccc(cc1Br)Br 34a_100000211012_100011219619 [0,1,0,0,0,0|1,1,0]=3 4114 B14R1.727 OCC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100011219619 [0,1,0,0,0,0|1,0,0]=2 4115 B14R1.727 OCC(O)CNc1ccc(cc1Br)F 34a_100000738039_100011219619 [0,1,0,0,0,0|1,1,0]=3 4116 B14R1.727 OCC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011219619 [0,1,0,0,0,0|2,0,0]=3 4117 B14R1.727 OCC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011219619 [0,1,0,0,0,0|1,1,0]=3 4118 B14R1.727 OCC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011219619 [0,1,0,0,0,0|1,0,0]=2 4119 B14R1.727 OCC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011219619 [0,1,0,0,0,0|1,1,0]=3 4120 B14R1.727 OCC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011219619 [0,1,0,0,0,0|1,1,0]=3 4121 B14R1.727 OCC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011219619 [0,1,0,0,0,0|2,0,0]=3 4122 B14R1.727 OCC(O)CNc1ccc(cc1F)Br 34a_100000210722_100011219619 [0,1,0,0,0,0|1,1,0]=3 4123 B14R1.727 OCC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100011219619 [0,1,0,0,0,0|1,0,0]=2 4124 B14R1.727 OCC(O)CNc1ccc(cc1F)F 34a_100000210720_100011219619 [0,1,0,0,0,0|1,1,0]=3 4125 B14R1.727 OCC(O)CNc1ccc(cc1F)I 34a_100011215594_100011219619 [0,1,0,0,0,0|1,1,0]=3 4126 B14R1.727 OCC(O)CNc1ccc(cc1F)O 34a_100000759473_100011219619 [0,1,0,0,0,0|2,0,0]=3 4127 B14R1.727 OCC(O)CNc1ccc(cc1I)Br 34a_100000187925_100011219619 [0,1,0,0,0,0|1,1,0]=3 4128 B14R1.727 OCC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100011219619 [0,1,0,0,0,0|1,0,0]=2 4129 B14R1.727 OCC(O)CNc1ccc(cc1I)F 34a_100000760547_100011219619 [0,1,0,0,0,0|1,1,0]=3 4130 B14R1.727 OCC(O)CNc1ccc(cc1I)O 34a_100010084370_100011219619 [0,1,0,0,0,0|2,0,0]=3 4131 B14R1.727 OCC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011219619 [0,1,0,0,0,0|1,1,0]=3 4132 B14R1.727 OCC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011219619 [0,1,0,0,0,0|1,0,0]=2 4133 B14R1.727 OCC(O)CNc1ccc(cc1O)F 34a_100000753323_100011219619 [0,1,0,0,0,0|1,1,0]=3 4134 B14R1.727 OCC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011219619 [0,1,0,0,0,0|0,1,0]=2 4135 B14R1.727 OCC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011219619 [0,1,0,0,0,0|0,1,0]=2 4136 B14R1.727 OCC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011219619 [0,1,0,0,0,0|0,0,0]=1 4137 B14R1.727 OCC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011219619 [0,1,0,0,0,0|0,0,0]=1 4138 B14R1.727 OCC(O)COc1ccc(cc1Br)F 34a_100000211999_100011219619 [0,1,0,0,0,0|0,1,0]=2 4139 B14R1.727 OCC(O)COc1ccc(cc1Br)F 7a_100000211999_100011219619 [0,1,0,0,0,0|0,1,0]=2 4140 B14R1.727 OCC(O)COc1ccc(cc1Br)I 34a_100012361655_100011219619 [0,1,0,0,0,0|0,1,0]=2 4141 B14R1.727 OCC(O)COc1ccc(cc1Br)I 7a_100012361655_100011219619 [0,1,0,0,0,0|0,1,0]=2 4142 B14R1.727 OCC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011219619 [0,1,0,0,0,0|0,1,0]=2 4143 B14R1.727 OCC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011219619 [0,1,0,0,0,0|0,1,0]=2 4144 B14R1.727 OCC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011219619 [0,1,0,0,0,0|0,0,0]=1 4145 B14R1.727 OCC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011219619 [0,1,0,0,0,0|0,0,0]=1 4146 B14R1.727 OCC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011219619 [0,1,0,0,0,0|0,1,0]=2 4147 B14R1.727 OCC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011219619 [0,1,0,0,0,0|0,1,0]=2 4148 B14R1.727 OCC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011219619 [0,1,0,0,0,0|0,1,0]=2 4149 B14R1.727 OCC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011219619 [0,1,0,0,0,0|0,1,0]=2 4150 B14R1.727 OCC(O)COc1ccc(cc1F)Br 34a_100000185481_100011219619 [0,1,0,0,0,0|0,1,0]=2 4151 B14R1.727 OCC(O)COc1ccc(cc1F)Br 7a_100000185481_100011219619 [0,1,0,0,0,0|0,1,0]=2 4152 B14R1.727 OCC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011219619 [0,1,0,0,0,0|0,0,0]=1 4153 B14R1.727 OCC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011219619 [0,1,0,0,0,0|0,0,0]=1 4154 B14R1.727 OCC(O)COc1ccc(cc1F)F 34a_100000230127_100011219619 [0,1,0,0,0,0|0,1,0]=2 4155 B14R1.727 OCC(O)COc1ccc(cc1F)F 7a_100000230127_100011219619 [0,1,0,0,0,0|0,1,0]=2 4156 B14R1.727 OCC(O)COc1ccc(cc1F)I 34a_100011356965_100011219619 [0,1,0,0,0,0|0,1,0]=2 4157 B14R1.727 OCC(O)COc1ccc(cc1F)I 7a_100011356965_100011219619 [0,1,0,0,0,0|0,1,0]=2 4158 B14R1.727 OCC(O)COc1ccc(cc1I)Br 34a_100012355227_100011219619 [0,1,0,0,0,0|0,1,0]=2 4159 B14R1.727 OCC(O)COc1ccc(cc1I)Br 7a_100012355227_100011219619 [0,1,0,0,0,0|0,1,0]=2 4160 B14R1.727 OCC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011219619 [0,1,0,0,0,0|0,0,0]=1 4161 B14R1.727 OCC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011219619 [0,1,0,0,0,0|0,0,0]=1 4162 B14R1.727 OCC(O)COc1ccc(cc1I)F 34a_100012355409_100011219619 [0,1,0,0,0,0|0,1,0]=2 4163 B14R1.727 OCC(O)COc1ccc(cc1I)F 7a_100012355409_100011219619 [0,1,0,0,0,0|0,1,0]=2 4164 B14R1.727 OCC(O)COc1ccc(cc1I)I 7a_100010001573_100011219619 [0,1,0,0,0,0|0,1,0]=2 4165 B14R1.727 OCC(O)COc1ccc(nc1Br)Br 34a_100009999766_100011219619 [0,1,0,0,0,0|1,1,0]=3 4166 B14R1.727 OCC(O)COc1ccc(nc1Br)Br 7a_100009999766_100011219619 [0,1,0,0,0,0|1,1,0]=3 4167 B14R1.727 OCC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100011219619 [0,1,0,0,0,0|1,0,0]=2 4168 B14R1.727 OCC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100011219619 [0,1,0,0,0,0|1,0,0]=2 4169 B14R1.727 OCC(O)COc1ccc(nc1Br)F 34a_100009887730_100011219619 [0,1,0,0,0,0|1,1,0]=3 4170 B14R1.727 OCC(O)COc1ccc(nc1Br)F 7a_100009887730_100011219619 [0,1,0,0,0,0|1,1,0]=3 4171 B14R1.727 OCC(O)COc1ccc(nc1Br)I 34a_100000725334_100011219619 [0,1,0,0,0,0|1,1,0]=3 4172 B14R1.727 OCC(O)COc1ccc(nc1Br)I 7a_100000725334_100011219619 [0,1,0,0,0,0|1,1,0]=3 4173 B14R1.727 OCC(O)COc1ccc(nc1Cl)Br 34a_100010246206_100011219619 [0,1,0,0,0,0|1,1,0]=3 4174 B14R1.727 OCC(O)COc1ccc(nc1Cl)Br 7a_100010246206_100011219619 [0,1,0,0,0,0|1,1,0]=3 4175 B14R1.727 OCC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100011219619 [0,1,0,0,0,0|1,0,0]=2 4176 B14R1.727 OCC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100011219619 [0,1,0,0,0,0|1,0,0]=2 4177 B14R1.727 OCC(O)COc1ccc(nc1Cl)I 34a_100000721234_100011219619 [0,1,0,0,0,0|1,1,0]=3 4178 B14R1.727 OCC(O)COc1ccc(nc1Cl)I 7a_100000721234_100011219619 [0,1,0,0,0,0|1,1,0]=3 4179 B14R1.727 OCC(O)COc1ccc(nc1F)Br 34a_100009819667_100011219619 [0,1,0,0,0,0|1,1,0]=3 4180 B14R1.727 OCC(O)COc1ccc(nc1F)Br 7a_100009819667_100011219619 [0,1,0,0,0,0|1,1,0]=3 4181 B14R1.727 OCC(O)COc1ccc(nc1F)Cl 34a_100009880201_100011219619 [0,1,0,0,0,0|1,0,0]=2 4182 B14R1.727 OCC(O)COc1ccc(nc1F)Cl 7a_100009880201_100011219619 [0,1,0,0,0,0|1,0,0]=2 4183 B14R1.727 OCC(O)COc1ccc(nc1F)F 34a_100000101184_100011219619 [0,1,0,0,0,0|1,1,0]=3 4184 B14R1.727 OCC(O)COc1ccc(nc1F)F 7a_100000101184_100011219619 [0,1,0,0,0,0|1,1,0]=3 4185 B14R1.727 OCC(O)COc1ccc(nc1I)Br 34a_100010253912_100011219619 [0,1,0,0,0,0|1,1,0]=3 4186 B14R1.727 OCC(O)COc1ccc(nc1I)Br 7a_100010253912_100011219619 [0,1,0,0,0,0|1,1,0]=3 4187 B14R1.727 OCC(O)COc1ccc(nc1I)Cl 34a_100000696390_100011219619 [0,1,0,0,0,0|1,0,0]=2 4188 B14R1.727 OCC(O)COc1ccc(nc1I)Cl 7a_100000696390_100011219619 [0,1,0,0,0,0|1,0,0]=2 4189 B14R1.727 OCC(O)COc1ccc(nc1I)F 34a_100010382442_100011219619 [0,1,0,0,0,0|1,1,0]=3 4190 B14R1.727 OCC(O)COc1ccc(nc1I)F 7a_100010382442_100011219619 [0,1,0,0,0,0|1,1,0]=3 4191 B14R1.727 OCC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100011219619 [0,1,0,0,0,0|1,0,0]=2 4192 B14R1.727 OCC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100011219619 [0,1,0,0,0,0|1,0,0]=2 4193 B14R1.727 OCC(O)COc1cnc(cc1F)F 34a_100009885687_100011219619 [0,1,0,0,0,0|1,1,0]=3 4194 B14R1.727 OCC(O)COc1cnc(cc1F)F 7a_100009885687_100011219619 [0,1,0,0,0,0|1,1,0]=3 4195 B14R1.727 OCC(O)COc1cnc(cc1I)Cl 34a_100000698892_100011219619 [0,1,0,0,0,0|1,0,0]=2 4196 B14R1.727 OCC(O)COc1cnc(cc1I)Cl 7a_100000698892_100011219619 [0,1,0,0,0,0|1,0,0]=2 4197 B14R1.727 OCC(O)COc1cnc(nc1Cl)Cl 34a_100010725077_100011219619 [0,1,0,0,0,0|2,0,0]=3 4198 B14R1.727 OCC(O)COc1cnc(nc1Cl)Cl 7a_100010725077_100011219619 [0,1,0,0,0,0|2,0,0]=3 4199 B14R1.727 OCC(O)COc1ncc(cc1Br)Br 34a_100000701035_100011219619 [0,1,0,0,0,0|1,1,0]=3 4200 B14R1.727 OCC(O)COc1ncc(cc1Cl)Br 34a_100012339560_100011219619 [0,1,0,0,0,0|1,1,0]=3 4201 B14R1.727 OCC(O)COc1ncc(cc1Cl)F 34a_100009847679_100011219619 [0,1,0,0,0,0|1,1,0]=3 4202 B14R1.727 OCC(O)COc1ncc(cc1F)Cl 34a_100011998252_100011219619 [0,1,0,0,0,0|1,0,0]=2 4203 B14R1.727 OCC(O)COc1ncc(cc1F)F 34a_100012025737_100011219619 [0,1,0,0,0,0|1,1,0]=3 4204 B14R1.727 OCC(O)COc1ncc(nc1Cl)Br 34a_100010734560_100011219619 [0,1,0,0,0,0|2,1,0]=4 4205 B14R1.727 OCC(O)CSc1ccc(cc1Br)Br 62a_100011219619_100011484698 [0,1,0,0,0,0|0,2,0]=3 4206 B14R1.727 OCC(O)CSc1ccc(cc1Br)Br 62a_100011484698_100011219619 [0,1,0,0,0,0|0,2,0]=3 4207 B14R1.727 OCC(O)CSc1ccc(cc1Br)Cl 62a_100011219619_100011219703 [0,1,0,0,0,0|0,1,0]=2 4208 B14R1.727 OCC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100011219619 [0,1,0,0,0,0|0,1,0]=2 4209 B14R1.727 OCC(O)CSc1ccc(cc1Br)F 62a_100011217111_100011219619 [0,1,0,0,0,0|0,2,0]=3 4210 B14R1.727 OCC(O)CSc1ccc(cc1Br)F 62a_100011219619_100011217111 [0,1,0,0,0,0|0,2,0]=3 4211 B14R1.727 OCC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011219619 [0,1,0,0,0,0|1,1,0]=3 4212 B14R1.727 OCC(O)CSc1ccc(cc1Br)O 62a_100011219619_100000701344 [0,1,0,0,0,0|1,1,0]=3 4213 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011219619 [0,1,0,0,0,0|0,2,0]=3 4214 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Br 62a_100011219619_100011216062 [0,1,0,0,0,0|0,2,0]=3 4215 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011219619 [0,1,0,0,0,0|0,1,0]=2 4216 B14R1.727 OCC(O)CSc1ccc(cc1Cl)Cl 62a_100011219619_100000699841 [0,1,0,0,0,0|0,1,0]=2 4217 B14R1.727 OCC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011219619 [0,1,0,0,0,0|0,2,0]=3 4218 B14R1.727 OCC(O)CSc1ccc(cc1Cl)F 62a_100011219619_100000733362 [0,1,0,0,0,0|0,2,0]=3 4219 B14R1.727 OCC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011219619 [0,1,0,0,0,0|1,1,0]=3 4220 B14R1.727 OCC(O)CSc1ccc(cc1Cl)O 62a_100011219619_100000047559 [0,1,0,0,0,0|1,1,0]=3 4221 B14R1.727 OCC(O)CSc1ccc(cc1F)Br 62a_100009814013_100011219619 [0,1,0,0,0,0|0,2,0]=3 4222 B14R1.727 OCC(O)CSc1ccc(cc1F)Br 62a_100011219619_100009814013 [0,1,0,0,0,0|0,2,0]=3 4223 B14R1.727 OCC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100011219619 [0,1,0,0,0,0|0,1,0]=2 4224 B14R1.727 OCC(O)CSc1ccc(cc1F)Cl 62a_100011219619_100011216042 [0,1,0,0,0,0|0,1,0]=2 4225 B14R1.727 OCC(O)CSc1ccc(cc1F)F 62a_100000750030_100011219619 [0,1,0,0,0,0|0,2,0]=3 4226 B14R1.727 OCC(O)CSc1ccc(cc1F)F 62a_100011219619_100000750030 [0,1,0,0,0,0|0,2,0]=3 4227 B14R1.727 OCC(O)CSc1ccc(cc1F)O 62a_100000755031_100011219619 [0,1,0,0,0,0|1,1,0]=3 4228 B14R1.727 OCC(O)CSc1ccc(cc1F)O 62a_100011219619_100000755031 [0,1,0,0,0,0|1,1,0]=3 4229 B14R1.727 OCC(O)CSc1ccc(cc1O)Br 62a_100011219619_100012344904 [0,1,0,0,0,0|0,2,0]=3 4230 B14R1.727 OCC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011219619 [0,1,0,0,0,0|0,2,0]=3 4231 B14R1.727 OCC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011219619 [0,1,0,0,0,0|0,1,0]=2 4232 B14R1.727 OCC(O)CSc1ccc(cc1O)Cl 62a_100011219619_100000050036 [0,1,0,0,0,0|0,1,0]=2 4233 B14R1.727 OCC(O)CSc1ccc(cc1O)F 62a_100000690578_100011219619 [0,1,0,0,0,0|0,2,0]=3 4234 B14R1.727 OCC(O)CSc1ccc(cc1O)F 62a_100011219619_100000690578 [0,1,0,0,0,0|0,2,0]=3 4235 B14R1.727 OCC(O)CSc1ccc(cc1O)O 62a_100011219619_100009813921 [0,1,0,0,0,0|1,1,0]=3 4236 B14R1.727 OCC(O)CSc1ccc(nc1Cl)Br 62a_100010246183_100011219619 [0,1,0,0,0,0|1,2,0]=4 4237 B14R1.727 OCC(O)CSc1ccc(nc1Cl)Br 62a_100011219619_100010246183 [0,1,0,0,0,0|1,2,0]=4 4238 B14R1.727 OCC(O)CSc1ccc(nc1Cl)Cl 62a_100011219619_100000043682 [0,1,0,0,0,0|1,1,0]=3 4239 B14R1.727 OCC(O)CSc1ccc(nc1F)Cl 62a_100010168078_100011219619 [0,1,0,0,0,0|1,1,0]=3 4240 B14R1.727 OCC(O)CSc1ccc(nc1F)Cl 62a_100011219619_100010168078 [0,1,0,0,0,0|1,1,0]=3 4241 B14R1.727 OCC(O)CSc1ccc(nc1F)F 62a_100000070099_100011219619 [0,1,0,0,0,0|1,2,0]=4 4242 B14R1.727 OCC(O)CSc1ccc(nc1F)F 62a_100011219619_100000070099 [0,1,0,0,0,0|1,2,0]=4 4243 B14R1.727 OCC(O)CSc1ccc(nc1F)O 62a_100009879308_100011219619 [0,1,0,0,0,0|2,1,0]=4 4244 B14R1.727 OCC(O)CSc1ccc(nc1F)O 62a_100011219619_100009879308 [0,1,0,0,0,0|2,1,0]=4 4245 B14R1.727 OCC(O)CSc1cnc(cc1Br)F 62a_100011219619_100015451857 [0,1,0,0,0,0|1,2,0]=4 4246 B14R1.727 OCC(O)CSc1cnc(cc1Br)F 62a_100015451857_100011219619 [0,1,0,0,0,0|1,2,0]=4 4247 B14R1.727 OCC(O)CSc1cnc(cc1Cl)Br 62a_100010381092_100011219619 [0,1,0,0,0,0|1,2,0]=4 4248 B14R1.727 OCC(O)CSc1cnc(cc1Cl)Br 62a_100011219619_100010381092 [0,1,0,0,0,0|1,2,0]=4 4249 B14R1.727 OCC(O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100011219619 [0,1,0,0,0,0|1,1,0]=3 4250 B14R1.727 OCC(O)CSc1cnc(cc1Cl)Cl 62a_100011219619_100010200927 [0,1,0,0,0,0|1,1,0]=3 4251 B14R1.727 OCC(O)CSc1cnc(cc1F)Cl 62a_100010128100_100011219619 [0,1,0,0,0,0|1,1,0]=3 4252 B14R1.727 OCC(O)CSc1cnc(cc1F)Cl 62a_100011219619_100010128100 [0,1,0,0,0,0|1,1,0]=3 4253 B14R1.727 OCC(O)CSc1cnc(nc1Cl)Cl 62a_100011219619_100000049956 [0,1,0,0,0,0|2,1,0]=4 4254 B14R1.727 OCC(O)CSc1ncc(cc1Br)Cl 62a_100011219619_100012154958 [0,1,0,0,0,0|1,1,0]=3 4255 B14R1.727 OCC(O)CSc1ncc(cc1Br)Cl 62a_100012154958_100011219619 [0,1,0,0,0,0|1,1,0]=3 4256 B14R1.727 OCC(O)CSc1ncc(cc1F)Br 62a_100011219619_100012348576 [0,1,0,0,0,0|1,2,0]=4 4257 B14R1.727 OCC(O)CSc1ncc(cc1F)Br 62a_100012348576_100011219619 [0,1,0,0,0,0|1,2,0]=4 4258 B14R1.727 OCC(O)CSc1ncc(cc1F)Cl 62a_100011219619_100012348686 [0,1,0,0,0,0|1,1,0]=3 4259 B14R1.727 OCC(O)CSc1ncc(cc1F)Cl 62a_100012348686_100011219619 [0,1,0,0,0,0|1,1,0]=3 4260 B14R1.727 OCC(O)CSc1ncc(cc1F)F 62a_100011219543_100011219619 [0,1,0,0,0,0|1,2,0]=4 4261 B14R1.727 OCC(O)CSc1ncc(cc1F)F 62a_100011219619_100011219543 [0,1,0,0,0,0|1,2,0]=4 4262 B14R1.727 OCC(O)CSc1ncc(cc1F)O 62a_100011219619_100000063512 [0,1,0,0,0,0|2,1,0]=4 4263 B14R1.727 OCC(O)CSc1ncc(cc1O)Br 62a_100010210634_100011219619 [0,1,0,0,0,0|1,2,0]=4 4264 B14R1.727 OCC(O)CSc1ncc(cc1O)Br 62a_100011219619_100010210634 [0,1,0,0,0,0|1,2,0]=4 4265 B14R1.727 OCC(O)CSc1ncc(cc1O)Cl 62a_100010233512_100011219619 [0,1,0,0,0,0|1,1,0]=3 4266 B14R1.727 OCC(O)CSc1ncc(cc1O)Cl 62a_100011219619_100010233512 [0,1,0,0,0,0|1,1,0]=3 4267 B14R1.727 OCC(O)CSc1ncc(cc1O)F 62a_100009820119_100011219619 [0,1,0,0,0,0|1,2,0]=4 4268 B14R1.727 OCC(O)CSc1ncc(cc1O)F 62a_100011219619_100000079967 [0,1,0,0,0,0|1,2,0]=4 4269 B14R1.727 OCC(O)CSc1ncc(nc1Cl)Cl 62a_100011219619_100010173851 [0,1,0,0,0,0|2,1,0]=4 4270 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)Br 34a_100000211012_100009815848 [0,1,0,0,0,0|1,1,0]=3 4271 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)Cl 34a_100000752454_100009815848 [0,1,0,0,0,0|1,0,0]=2 4272 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)F 34a_100000738039_100009815848 [0,1,0,0,0,0|1,1,0]=3 4273 B14R1.727 OC[C@H](O)CNc1ccc(cc1Br)O 34a_100012001276_100009815848 [0,1,0,0,0,0|2,0,0]=3 4274 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)Br 34a_100000211467_100009815848 [0,1,0,0,0,0|1,1,0]=3 4275 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009815848 [0,1,0,0,0,0|1,0,0]=2 4276 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)F 34a_100000212003_100009815848 [0,1,0,0,0,0|1,1,0]=3 4277 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)I 34a_100011218065_100009815848 [0,1,0,0,0,0|1,1,0]=3 4278 B14R1.727 OC[C@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009815848 [0,1,0,0,0,0|2,0,0]=3 4279 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)Br 34a_100000210722_100009815848 [0,1,0,0,0,0|1,1,0]=3 4280 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)Cl 34a_100000211020_100009815848 [0,1,0,0,0,0|1,0,0]=2 4281 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)F 34a_100000210720_100009815848 [0,1,0,0,0,0|1,1,0]=3 4282 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)I 34a_100011215594_100009815848 [0,1,0,0,0,0|1,1,0]=3 4283 B14R1.727 OC[C@H](O)CNc1ccc(cc1F)O 34a_100000759473_100009815848 [0,1,0,0,0,0|2,0,0]=3 4284 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)Br 34a_100000187925_100009815848 [0,1,0,0,0,0|1,1,0]=3 4285 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)Cl 34a_100000761889_100009815848 [0,1,0,0,0,0|1,0,0]=2 4286 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)F 34a_100000760547_100009815848 [0,1,0,0,0,0|1,1,0]=3 4287 B14R1.727 OC[C@H](O)CNc1ccc(cc1I)O 34a_100010084370_100009815848 [0,1,0,0,0,0|2,0,0]=3 4288 B14R1.727 OC[C@H](O)CNc1ccc(cc1O)Br 34a_100000739049_100009815848 [0,1,0,0,0,0|1,1,0]=3 4289 B14R1.727 OC[C@H](O)CNc1ccc(cc1O)Cl 34a_100000185728_100009815848 [0,1,0,0,0,0|1,0,0]=2 4290 B14R1.727 OC[C@H](O)CNc1ccc(cc1O)F 34a_100000753323_100009815848 [0,1,0,0,0,0|1,1,0]=3 4291 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Br 34a_100000188717_100009815848 [0,1,0,0,0,0|0,1,0]=2 4292 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Br 7a_100000188717_100009815848 [0,1,0,0,0,0|0,1,0]=2 4293 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Cl 34a_100000211998_100009815848 [0,1,0,0,0,0|0,0,0]=1 4294 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)Cl 7a_100000211998_100009815848 [0,1,0,0,0,0|0,0,0]=1 4295 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)F 34a_100000211999_100009815848 [0,1,0,0,0,0|0,1,0]=2 4296 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)F 7a_100000211999_100009815848 [0,1,0,0,0,0|0,1,0]=2 4297 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)I 34a_100012361655_100009815848 [0,1,0,0,0,0|0,1,0]=2 4298 B14R1.727 OC[C@H](O)COc1ccc(cc1Br)I 7a_100012361655_100009815848 [0,1,0,0,0,0|0,1,0]=2 4299 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Br 34a_100000186472_100009815848 [0,1,0,0,0,0|0,1,0]=2 4300 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100009815848 [0,1,0,0,0,0|0,1,0]=2 4301 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Cl 34a_100015191787_100009815848 [0,1,0,0,0,0|0,0,0]=1 4302 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100009815848 [0,1,0,0,0,0|0,0,0]=1 4303 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)F 34a_100000212004_100009815848 [0,1,0,0,0,0|0,1,0]=2 4304 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100009815848 [0,1,0,0,0,0|0,1,0]=2 4305 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)I 34a_100012360047_100009815848 [0,1,0,0,0,0|0,1,0]=2 4306 B14R1.727 OC[C@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100009815848 [0,1,0,0,0,0|0,1,0]=2 4307 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Br 34a_100000185481_100009815848 [0,1,0,0,0,0|0,1,0]=2 4308 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Br 7a_100000185481_100009815848 [0,1,0,0,0,0|0,1,0]=2 4309 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Cl 34a_100000230166_100009815848 [0,1,0,0,0,0|0,0,0]=1 4310 B14R1.727 OC[C@H](O)COc1ccc(cc1F)Cl 7a_100000230166_100009815848 [0,1,0,0,0,0|0,0,0]=1 4311 B14R1.727 OC[C@H](O)COc1ccc(cc1F)F 34a_100000230127_100009815848 [0,1,0,0,0,0|0,1,0]=2 4312 B14R1.727 OC[C@H](O)COc1ccc(cc1F)F 7a_100000230127_100009815848 [0,1,0,0,0,0|0,1,0]=2 4313 B14R1.727 OC[C@H](O)COc1ccc(cc1F)I 34a_100011356965_100009815848 [0,1,0,0,0,0|0,1,0]=2 4314 B14R1.727 OC[C@H](O)COc1ccc(cc1F)I 7a_100011356965_100009815848 [0,1,0,0,0,0|0,1,0]=2 4315 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Br 34a_100012355227_100009815848 [0,1,0,0,0,0|0,1,0]=2 4316 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Br 7a_100012355227_100009815848 [0,1,0,0,0,0|0,1,0]=2 4317 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Cl 34a_100011356953_100009815848 [0,1,0,0,0,0|0,0,0]=1 4318 B14R1.727 OC[C@H](O)COc1ccc(cc1I)Cl 7a_100011356953_100009815848 [0,1,0,0,0,0|0,0,0]=1 4319 B14R1.727 OC[C@H](O)COc1ccc(cc1I)F 34a_100012355409_100009815848 [0,1,0,0,0,0|0,1,0]=2 4320 B14R1.727 OC[C@H](O)COc1ccc(cc1I)F 7a_100012355409_100009815848 [0,1,0,0,0,0|0,1,0]=2 4321 B14R1.727 OC[C@H](O)COc1ccc(cc1I)I 7a_100010001573_100009815848 [0,1,0,0,0,0|0,1,0]=2 4322 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Br 34a_100009999766_100009815848 [0,1,0,0,0,0|1,1,0]=3 4323 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Br 7a_100009999766_100009815848 [0,1,0,0,0,0|1,1,0]=3 4324 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Cl 34a_100010219353_100009815848 [0,1,0,0,0,0|1,0,0]=2 4325 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)Cl 7a_100010219353_100009815848 [0,1,0,0,0,0|1,0,0]=2 4326 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)F 34a_100009887730_100009815848 [0,1,0,0,0,0|1,1,0]=3 4327 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)F 7a_100009887730_100009815848 [0,1,0,0,0,0|1,1,0]=3 4328 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)I 34a_100000725334_100009815848 [0,1,0,0,0,0|1,1,0]=3 4329 B14R1.727 OC[C@H](O)COc1ccc(nc1Br)I 7a_100000725334_100009815848 [0,1,0,0,0,0|1,1,0]=3 4330 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Br 34a_100010246206_100009815848 [0,1,0,0,0,0|1,1,0]=3 4331 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Br 7a_100010246206_100009815848 [0,1,0,0,0,0|1,1,0]=3 4332 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Cl 34a_100000101165_100009815848 [0,1,0,0,0,0|1,0,0]=2 4333 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)Cl 7a_100000101165_100009815848 [0,1,0,0,0,0|1,0,0]=2 4334 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)I 34a_100000721234_100009815848 [0,1,0,0,0,0|1,1,0]=3 4335 B14R1.727 OC[C@H](O)COc1ccc(nc1Cl)I 7a_100000721234_100009815848 [0,1,0,0,0,0|1,1,0]=3 4336 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Br 34a_100009819667_100009815848 [0,1,0,0,0,0|1,1,0]=3 4337 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Br 7a_100009819667_100009815848 [0,1,0,0,0,0|1,1,0]=3 4338 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Cl 34a_100009880201_100009815848 [0,1,0,0,0,0|1,0,0]=2 4339 B14R1.727 OC[C@H](O)COc1ccc(nc1F)Cl 7a_100009880201_100009815848 [0,1,0,0,0,0|1,0,0]=2 4340 B14R1.727 OC[C@H](O)COc1ccc(nc1F)F 34a_100000101184_100009815848 [0,1,0,0,0,0|1,1,0]=3 4341 B14R1.727 OC[C@H](O)COc1ccc(nc1F)F 7a_100000101184_100009815848 [0,1,0,0,0,0|1,1,0]=3 4342 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Br 34a_100010253912_100009815848 [0,1,0,0,0,0|1,1,0]=3 4343 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Br 7a_100010253912_100009815848 [0,1,0,0,0,0|1,1,0]=3 4344 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Cl 34a_100000696390_100009815848 [0,1,0,0,0,0|1,0,0]=2 4345 B14R1.727 OC[C@H](O)COc1ccc(nc1I)Cl 7a_100000696390_100009815848 [0,1,0,0,0,0|1,0,0]=2 4346 B14R1.727 OC[C@H](O)COc1ccc(nc1I)F 34a_100010382442_100009815848 [0,1,0,0,0,0|1,1,0]=3 4347 B14R1.727 OC[C@H](O)COc1ccc(nc1I)F 7a_100010382442_100009815848 [0,1,0,0,0,0|1,1,0]=3 4348 B14R1.727 OC[C@H](O)COc1cnc(cc1Cl)Cl 34a_100009868576_100009815848 [0,1,0,0,0,0|1,0,0]=2 4349 B14R1.727 OC[C@H](O)COc1cnc(cc1Cl)Cl 7a_100009868576_100009815848 [0,1,0,0,0,0|1,0,0]=2 4350 B14R1.727 OC[C@H](O)COc1cnc(cc1F)F 34a_100009885687_100009815848 [0,1,0,0,0,0|1,1,0]=3 4351 B14R1.727 OC[C@H](O)COc1cnc(cc1F)F 7a_100009885687_100009815848 [0,1,0,0,0,0|1,1,0]=3 4352 B14R1.727 OC[C@H](O)COc1cnc(cc1I)Cl 34a_100000698892_100009815848 [0,1,0,0,0,0|1,0,0]=2 4353 B14R1.727 OC[C@H](O)COc1cnc(cc1I)Cl 7a_100000698892_100009815848 [0,1,0,0,0,0|1,0,0]=2 4354 B14R1.727 OC[C@H](O)COc1cnc(nc1Cl)Cl 34a_100010725077_100009815848 [0,1,0,0,0,0|2,0,0]=3 4355 B14R1.727 OC[C@H](O)COc1cnc(nc1Cl)Cl 7a_100010725077_100009815848 [0,1,0,0,0,0|2,0,0]=3 4356 B14R1.727 OC[C@H](O)COc1ncc(cc1Br)Br 34a_100000701035_100009815848 [0,1,0,0,0,0|1,1,0]=3 4357 B14R1.727 OC[C@H](O)COc1ncc(cc1Cl)Br 34a_100012339560_100009815848 [0,1,0,0,0,0|1,1,0]=3 4358 B14R1.727 OC[C@H](O)COc1ncc(cc1Cl)F 34a_100009847679_100009815848 [0,1,0,0,0,0|1,1,0]=3 4359 B14R1.727 OC[C@H](O)COc1ncc(cc1F)Cl 34a_100011998252_100009815848 [0,1,0,0,0,0|1,0,0]=2 4360 B14R1.727 OC[C@H](O)COc1ncc(cc1F)F 34a_100012025737_100009815848 [0,1,0,0,0,0|1,1,0]=3 4361 B14R1.727 OC[C@H](O)COc1ncc(nc1Cl)Br 34a_100010734560_100009815848 [0,1,0,0,0,0|2,1,0]=4 4362 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Br 62a_100009815848_100011484698 [0,1,0,0,0,0|0,2,0]=3 4363 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Br 62a_100011484698_100009815848 [0,1,0,0,0,0|0,2,0]=3 4364 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Cl 62a_100009815848_100011219703 [0,1,0,0,0,0|0,1,0]=2 4365 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)Cl 62a_100011219703_100009815848 [0,1,0,0,0,0|0,1,0]=2 4366 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)F 62a_100009815848_100011217111 [0,1,0,0,0,0|0,2,0]=3 4367 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)F 62a_100011217111_100009815848 [0,1,0,0,0,0|0,2,0]=3 4368 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)O 62a_100000701344_100009815848 [0,1,0,0,0,0|1,1,0]=3 4369 B14R1.727 OC[C@H](O)CSc1ccc(cc1Br)O 62a_100009815848_100000701344 [0,1,0,0,0,0|1,1,0]=3 4370 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Br 62a_100009815848_100011216062 [0,1,0,0,0,0|0,2,0]=3 4371 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Br 62a_100011216062_100009815848 [0,1,0,0,0,0|0,2,0]=3 4372 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100009815848 [0,1,0,0,0,0|0,1,0]=2 4373 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)Cl 62a_100009815848_100000699841 [0,1,0,0,0,0|0,1,0]=2 4374 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)F 62a_100000733362_100009815848 [0,1,0,0,0,0|0,2,0]=3 4375 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)F 62a_100009815848_100000733362 [0,1,0,0,0,0|0,2,0]=3 4376 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009815848 [0,1,0,0,0,0|1,1,0]=3 4377 B14R1.727 OC[C@H](O)CSc1ccc(cc1Cl)O 62a_100009815848_100000047559 [0,1,0,0,0,0|1,1,0]=3 4378 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Br 62a_100009814013_100009815848 [0,1,0,0,0,0|0,2,0]=3 4379 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Br 62a_100009815848_100009814013 [0,1,0,0,0,0|0,2,0]=3 4380 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Cl 62a_100009815848_100011216042 [0,1,0,0,0,0|0,1,0]=2 4381 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)Cl 62a_100011216042_100009815848 [0,1,0,0,0,0|0,1,0]=2 4382 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)F 62a_100000750030_100009815848 [0,1,0,0,0,0|0,2,0]=3 4383 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)F 62a_100009815848_100000750030 [0,1,0,0,0,0|0,2,0]=3 4384 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)O 62a_100000755031_100009815848 [0,1,0,0,0,0|1,1,0]=3 4385 B14R1.727 OC[C@H](O)CSc1ccc(cc1F)O 62a_100009815848_100000755031 [0,1,0,0,0,0|1,1,0]=3 4386 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Br 62a_100009815848_100012344904 [0,1,0,0,0,0|0,2,0]=3 4387 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Br 62a_100012344904_100009815848 [0,1,0,0,0,0|0,2,0]=3 4388 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Cl 62a_100000050036_100009815848 [0,1,0,0,0,0|0,1,0]=2 4389 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)Cl 62a_100009815848_100000050036 [0,1,0,0,0,0|0,1,0]=2 4390 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)F 62a_100000690578_100009815848 [0,1,0,0,0,0|0,2,0]=3 4391 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)F 62a_100009815848_100000690578 [0,1,0,0,0,0|0,2,0]=3 4392 B14R1.727 OC[C@H](O)CSc1ccc(cc1O)O 62a_100009815848_100009813921 [0,1,0,0,0,0|1,1,0]=3 4393 B14R1.727 OC[C@H](O)CSc1ccc(nc1Cl)Br 62a_100009815848_100010246183 [0,1,0,0,0,0|1,2,0]=4 4394 B14R1.727 OC[C@H](O)CSc1ccc(nc1Cl)Br 62a_100010246183_100009815848 [0,1,0,0,0,0|1,2,0]=4 4395 B14R1.727 OC[C@H](O)CSc1ccc(nc1Cl)Cl 62a_100009815848_100000043682 [0,1,0,0,0,0|1,1,0]=3 4396 B14R1.727 OC[C@H](O)CSc1ccc(nc1F)Cl 62a_100009815848_100010168078 [0,1,0,0,0,0|1,1,0]=3 4397 B14R1.727 OC[C@H](O)CSc1ccc(nc1F)Cl 62a_100010168078_100009815848 [0,1,0,0,0,0|1,1,0]=3 4398 B14R1.727 OC[C@H](O)CSc1ccc(nc1F)F 62a_100000070099_100009815848 [0,1,0,0,0,0|1,2,0]=4 4399 B14R1.727 OC[C@H](O)CSc1ccc(nc1F)F 62a_100009815848_100000070099 [0,1,0,0,0,0|1,2,0]=4 4400 B14R1.727 OC[C@H](O)CSc1ccc(nc1F)O 62a_100009815848_100009879308 [0,1,0,0,0,0|2,1,0]=4 4401 B14R1.727 OC[C@H](O)CSc1ccc(nc1F)O 62a_100009879308_100009815848 [0,1,0,0,0,0|2,1,0]=4 4402 B14R1.727 OC[C@H](O)CSc1cnc(cc1Br)F 62a_100009815848_100015451857 [0,1,0,0,0,0|1,2,0]=4 4403 B14R1.727 OC[C@H](O)CSc1cnc(cc1Br)F 62a_100015451857_100009815848 [0,1,0,0,0,0|1,2,0]=4 4404 B14R1.727 OC[C@H](O)CSc1cnc(cc1Cl)Br 62a_100009815848_100010381092 [0,1,0,0,0,0|1,2,0]=4 4405 B14R1.727 OC[C@H](O)CSc1cnc(cc1Cl)Br 62a_100010381092_100009815848 [0,1,0,0,0,0|1,2,0]=4 4406 B14R1.727 OC[C@H](O)CSc1cnc(cc1Cl)Cl 62a_100009815848_100010200927 [0,1,0,0,0,0|1,1,0]=3 4407 B14R1.727 OC[C@H](O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100009815848 [0,1,0,0,0,0|1,1,0]=3 4408 B14R1.727 OC[C@H](O)CSc1cnc(cc1F)Cl 62a_100009815848_100010128100 [0,1,0,0,0,0|1,1,0]=3 4409 B14R1.727 OC[C@H](O)CSc1cnc(cc1F)Cl 62a_100010128100_100009815848 [0,1,0,0,0,0|1,1,0]=3 4410 B14R1.727 OC[C@H](O)CSc1cnc(nc1Cl)Cl 62a_100009815848_100000049956 [0,1,0,0,0,0|2,1,0]=4 4411 B14R1.727 OC[C@H](O)CSc1ncc(cc1Br)Cl 62a_100009815848_100012154958 [0,1,0,0,0,0|1,1,0]=3 4412 B14R1.727 OC[C@H](O)CSc1ncc(cc1Br)Cl 62a_100012154958_100009815848 [0,1,0,0,0,0|1,1,0]=3 4413 B14R1.727 OC[C@H](O)CSc1ncc(cc1F)Br 62a_100009815848_100012348576 [0,1,0,0,0,0|1,2,0]=4 4414 B14R1.727 OC[C@H](O)CSc1ncc(cc1F)Br 62a_100012348576_100009815848 [0,1,0,0,0,0|1,2,0]=4 4415 B14R1.727 OC[C@H](O)CSc1ncc(cc1F)Cl 62a_100009815848_100012348686 [0,1,0,0,0,0|1,1,0]=3 4416 B14R1.727 OC[C@H](O)CSc1ncc(cc1F)Cl 62a_100012348686_100009815848 [0,1,0,0,0,0|1,1,0]=3 4417 B14R1.727 OC[C@H](O)CSc1ncc(cc1F)F 62a_100009815848_100011219543 [0,1,0,0,0,0|1,2,0]=4 4418 B14R1.727 OC[C@H](O)CSc1ncc(cc1F)F 62a_100011219543_100009815848 [0,1,0,0,0,0|1,2,0]=4 4419 B14R1.727 OC[C@H](O)CSc1ncc(cc1F)O 62a_100009815848_100000063512 [0,1,0,0,0,0|2,1,0]=4 4420 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Br 62a_100009815848_100010210634 [0,1,0,0,0,0|1,2,0]=4 4421 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Br 62a_100010210634_100009815848 [0,1,0,0,0,0|1,2,0]=4 4422 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Cl 62a_100009815848_100010233512 [0,1,0,0,0,0|1,1,0]=3 4423 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)Cl 62a_100010233512_100009815848 [0,1,0,0,0,0|1,1,0]=3 4424 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)F 62a_100009815848_100000079967 [0,1,0,0,0,0|1,2,0]=4 4425 B14R1.727 OC[C@H](O)CSc1ncc(cc1O)F 62a_100009820119_100009815848 [0,1,0,0,0,0|1,2,0]=4 4426 B14R1.727 OC[C@H](O)CSc1ncc(nc1Cl)Cl 62a_100009815848_100010173851 [0,1,0,0,0,0|2,1,0]=4 4427 B14R1.727 O[C@@H](CF)CNc1ccc(cc1Br)Br 34a_100000211012_100015614560 [0,1,0,0,0,0|2,1,0]=4 4428 B14R1.727 O[C@@H](CF)CNc1ccc(cc1Br)Cl 34a_100000752454_100015614560 [0,1,0,0,0,0|2,0,0]=3 4429 B14R1.727 O[C@@H](CF)CNc1ccc(cc1Br)F 34a_100000738039_100015614560 [0,1,0,0,0,0|2,1,0]=4 4430 B14R1.727 O[C@@H](CF)CNc1ccc(cc1Cl)Br 34a_100000211467_100015614560 [0,1,0,0,0,0|2,1,0]=4 4431 B14R1.727 O[C@@H](CF)CNc1ccc(cc1Cl)Cl 34a_100000185861_100015614560 [0,1,0,0,0,0|2,0,0]=3 4432 B14R1.727 O[C@@H](CF)CNc1ccc(cc1Cl)F 34a_100000212003_100015614560 [0,1,0,0,0,0|2,1,0]=4 4433 B14R1.727 O[C@@H](CF)CNc1ccc(cc1Cl)I 34a_100011218065_100015614560 [0,1,0,0,0,0|2,1,0]=4 4434 B14R1.727 O[C@@H](CF)CNc1ccc(cc1F)Br 34a_100000210722_100015614560 [0,1,0,0,0,0|2,1,0]=4 4435 B14R1.727 O[C@@H](CF)CNc1ccc(cc1F)Cl 34a_100000211020_100015614560 [0,1,0,0,0,0|2,0,0]=3 4436 B14R1.727 O[C@@H](CF)CNc1ccc(cc1F)F 34a_100000210720_100015614560 [0,1,0,0,0,0|2,1,0]=4 4437 B14R1.727 O[C@@H](CF)CNc1ccc(cc1F)I 34a_100011215594_100015614560 [0,1,0,0,0,0|2,1,0]=4 4438 B14R1.727 O[C@@H](CF)CNc1ccc(cc1I)Br 34a_100000187925_100015614560 [0,1,0,0,0,0|2,1,0]=4 4439 B14R1.727 O[C@@H](CF)CNc1ccc(cc1I)Cl 34a_100000761889_100015614560 [0,1,0,0,0,0|2,0,0]=3 4440 B14R1.727 O[C@@H](CF)CNc1ccc(cc1I)F 34a_100000760547_100015614560 [0,1,0,0,0,0|2,1,0]=4 4441 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Br 34a_100000188717_100015614560 [0,1,0,0,0,0|1,1,0]=3 4442 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Br 7a_100000188717_100015614560 [0,1,0,0,0,0|1,1,0]=3 4443 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Cl 34a_100000211998_100015614560 [0,1,0,0,0,0|1,0,0]=2 4444 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)Cl 7a_100000211998_100015614560 [0,1,0,0,0,0|1,0,0]=2 4445 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)F 34a_100000211999_100015614560 [0,1,0,0,0,0|1,1,0]=3 4446 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)F 7a_100000211999_100015614560 [0,1,0,0,0,0|1,1,0]=3 4447 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)I 34a_100012361655_100015614560 [0,1,0,0,0,0|1,1,0]=3 4448 B14R1.727 O[C@@H](CF)COc1ccc(cc1Br)I 7a_100012361655_100015614560 [0,1,0,0,0,0|1,1,0]=3 4449 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Br 34a_100000186472_100015614560 [0,1,0,0,0,0|1,1,0]=3 4450 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Br 7a_100000186472_100015614560 [0,1,0,0,0,0|1,1,0]=3 4451 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Cl 34a_100015191787_100015614560 [0,1,0,0,0,0|1,0,0]=2 4452 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)Cl 7a_100015191787_100015614560 [0,1,0,0,0,0|1,0,0]=2 4453 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)F 34a_100000212004_100015614560 [0,1,0,0,0,0|1,1,0]=3 4454 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)F 7a_100000212004_100015614560 [0,1,0,0,0,0|1,1,0]=3 4455 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)I 34a_100012360047_100015614560 [0,1,0,0,0,0|1,1,0]=3 4456 B14R1.727 O[C@@H](CF)COc1ccc(cc1Cl)I 7a_100012360047_100015614560 [0,1,0,0,0,0|1,1,0]=3 4457 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Br 34a_100000185481_100015614560 [0,1,0,0,0,0|1,1,0]=3 4458 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Br 7a_100000185481_100015614560 [0,1,0,0,0,0|1,1,0]=3 4459 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Cl 34a_100000230166_100015614560 [0,1,0,0,0,0|1,0,0]=2 4460 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)Cl 7a_100000230166_100015614560 [0,1,0,0,0,0|1,0,0]=2 4461 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)F 34a_100000230127_100015614560 [0,1,0,0,0,0|1,1,0]=3 4462 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)F 7a_100000230127_100015614560 [0,1,0,0,0,0|1,1,0]=3 4463 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)I 34a_100011356965_100015614560 [0,1,0,0,0,0|1,1,0]=3 4464 B14R1.727 O[C@@H](CF)COc1ccc(cc1F)I 7a_100011356965_100015614560 [0,1,0,0,0,0|1,1,0]=3 4465 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Br 34a_100012355227_100015614560 [0,1,0,0,0,0|1,1,0]=3 4466 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Br 7a_100012355227_100015614560 [0,1,0,0,0,0|1,1,0]=3 4467 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Cl 34a_100011356953_100015614560 [0,1,0,0,0,0|1,0,0]=2 4468 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)Cl 7a_100011356953_100015614560 [0,1,0,0,0,0|1,0,0]=2 4469 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)F 34a_100012355409_100015614560 [0,1,0,0,0,0|1,1,0]=3 4470 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)F 7a_100012355409_100015614560 [0,1,0,0,0,0|1,1,0]=3 4471 B14R1.727 O[C@@H](CF)COc1ccc(cc1I)I 7a_100010001573_100015614560 [0,1,0,0,0,0|1,1,0]=3 4472 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)Br 34a_100009999766_100015614560 [0,1,0,0,0,0|2,1,0]=4 4473 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)Br 7a_100009999766_100015614560 [0,1,0,0,0,0|2,1,0]=4 4474 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)Cl 34a_100010219353_100015614560 [0,1,0,0,0,0|2,0,0]=3 4475 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)Cl 7a_100010219353_100015614560 [0,1,0,0,0,0|2,0,0]=3 4476 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)F 34a_100009887730_100015614560 [0,1,0,0,0,0|2,1,0]=4 4477 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)F 7a_100009887730_100015614560 [0,1,0,0,0,0|2,1,0]=4 4478 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)I 34a_100000725334_100015614560 [0,1,0,0,0,0|2,1,0]=4 4479 B14R1.727 O[C@@H](CF)COc1ccc(nc1Br)I 7a_100000725334_100015614560 [0,1,0,0,0,0|2,1,0]=4 4480 B14R1.727 O[C@@H](CF)COc1ccc(nc1Cl)Br 34a_100010246206_100015614560 [0,1,0,0,0,0|2,1,0]=4 4481 B14R1.727 O[C@@H](CF)COc1ccc(nc1Cl)Br 7a_100010246206_100015614560 [0,1,0,0,0,0|2,1,0]=4 4482 B14R1.727 O[C@@H](CF)COc1ccc(nc1Cl)Cl 34a_100000101165_100015614560 [0,1,0,0,0,0|2,0,0]=3 4483 B14R1.727 O[C@@H](CF)COc1ccc(nc1Cl)Cl 7a_100000101165_100015614560 [0,1,0,0,0,0|2,0,0]=3 4484 B14R1.727 O[C@@H](CF)COc1ccc(nc1Cl)I 34a_100000721234_100015614560 [0,1,0,0,0,0|2,1,0]=4 4485 B14R1.727 O[C@@H](CF)COc1ccc(nc1Cl)I 7a_100000721234_100015614560 [0,1,0,0,0,0|2,1,0]=4 4486 B14R1.727 O[C@@H](CF)COc1ccc(nc1F)Br 34a_100009819667_100015614560 [0,1,0,0,0,0|2,1,0]=4 4487 B14R1.727 O[C@@H](CF)COc1ccc(nc1F)Br 7a_100009819667_100015614560 [0,1,0,0,0,0|2,1,0]=4 4488 B14R1.727 O[C@@H](CF)COc1ccc(nc1F)Cl 34a_100009880201_100015614560 [0,1,0,0,0,0|2,0,0]=3 4489 B14R1.727 O[C@@H](CF)COc1ccc(nc1F)Cl 7a_100009880201_100015614560 [0,1,0,0,0,0|2,0,0]=3 4490 B14R1.727 O[C@@H](CF)COc1ccc(nc1F)F 34a_100000101184_100015614560 [0,1,0,0,0,0|2,1,0]=4 4491 B14R1.727 O[C@@H](CF)COc1ccc(nc1F)F 7a_100000101184_100015614560 [0,1,0,0,0,0|2,1,0]=4 4492 B14R1.727 O[C@@H](CF)COc1ccc(nc1I)Br 34a_100010253912_100015614560 [0,1,0,0,0,0|2,1,0]=4 4493 B14R1.727 O[C@@H](CF)COc1ccc(nc1I)Br 7a_100010253912_100015614560 [0,1,0,0,0,0|2,1,0]=4 4494 B14R1.727 O[C@@H](CF)COc1ccc(nc1I)Cl 34a_100000696390_100015614560 [0,1,0,0,0,0|2,0,0]=3 4495 B14R1.727 O[C@@H](CF)COc1ccc(nc1I)Cl 7a_100000696390_100015614560 [0,1,0,0,0,0|2,0,0]=3 4496 B14R1.727 O[C@@H](CF)COc1ccc(nc1I)F 34a_100010382442_100015614560 [0,1,0,0,0,0|2,1,0]=4 4497 B14R1.727 O[C@@H](CF)COc1ccc(nc1I)F 7a_100010382442_100015614560 [0,1,0,0,0,0|2,1,0]=4 4498 B14R1.727 O[C@@H](CF)COc1cnc(cc1Cl)Cl 34a_100009868576_100015614560 [0,1,0,0,0,0|2,0,0]=3 4499 B14R1.727 O[C@@H](CF)COc1cnc(cc1Cl)Cl 7a_100009868576_100015614560 [0,1,0,0,0,0|2,0,0]=3 4500 B14R1.727 O[C@@H](CF)COc1cnc(cc1F)F 34a_100009885687_100015614560 [0,1,0,0,0,0|2,1,0]=4 4501 B14R1.727 O[C@@H](CF)COc1cnc(cc1F)F 7a_100009885687_100015614560 [0,1,0,0,0,0|2,1,0]=4 4502 B14R1.727 O[C@@H](CF)COc1cnc(cc1I)Cl 34a_100000698892_100015614560 [0,1,0,0,0,0|2,0,0]=3 4503 B14R1.727 O[C@@H](CF)COc1cnc(cc1I)Cl 7a_100000698892_100015614560 [0,1,0,0,0,0|2,0,0]=3 4504 B14R1.727 O[C@@H](CF)COc1cnc(nc1Cl)Cl 34a_100010725077_100015614560 [0,1,0,0,0,0|3,0,0]=4 4505 B14R1.727 O[C@@H](CF)COc1cnc(nc1Cl)Cl 7a_100010725077_100015614560 [0,1,0,0,0,0|3,0,0]=4 4506 B14R1.727 O[C@@H](CF)COc1ncc(cc1Br)Br 34a_100000701035_100015614560 [0,1,0,0,0,0|2,1,0]=4 4507 B14R1.727 O[C@@H](CF)COc1ncc(cc1Cl)Br 34a_100012339560_100015614560 [0,1,0,0,0,0|2,1,0]=4 4508 B14R1.727 O[C@@H](CF)COc1ncc(cc1Cl)F 34a_100009847679_100015614560 [0,1,0,0,0,0|2,1,0]=4 4509 B14R1.727 O[C@@H](CF)COc1ncc(cc1F)Cl 34a_100011998252_100015614560 [0,1,0,0,0,0|2,0,0]=3 4510 B14R1.727 O[C@@H](CF)COc1ncc(cc1F)F 34a_100012025737_100015614560 [0,1,0,0,0,0|2,1,0]=4 4511 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Br)Br 62a_100011484698_100015614560 [0,1,0,0,0,0|1,2,0]=4 4512 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Br)Br 62a_100015614560_100011484698 [0,1,0,0,0,0|1,2,0]=4 4513 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Br)Cl 62a_100011219703_100015614560 [0,1,0,0,0,0|1,1,0]=3 4514 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Br)Cl 62a_100015614560_100011219703 [0,1,0,0,0,0|1,1,0]=3 4515 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Br)F 62a_100011217111_100015614560 [0,1,0,0,0,0|1,2,0]=4 4516 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Br)F 62a_100015614560_100011217111 [0,1,0,0,0,0|1,2,0]=4 4517 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Cl)Br 62a_100011216062_100015614560 [0,1,0,0,0,0|1,2,0]=4 4518 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Cl)Br 62a_100015614560_100011216062 [0,1,0,0,0,0|1,2,0]=4 4519 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Cl)Cl 62a_100000699841_100015614560 [0,1,0,0,0,0|1,1,0]=3 4520 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Cl)Cl 62a_100015614560_100000699841 [0,1,0,0,0,0|1,1,0]=3 4521 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Cl)F 62a_100000733362_100015614560 [0,1,0,0,0,0|1,2,0]=4 4522 B14R1.727 O[C@@H](CF)CSc1ccc(cc1Cl)F 62a_100015614560_100000733362 [0,1,0,0,0,0|1,2,0]=4 4523 B14R1.727 O[C@@H](CF)CSc1ccc(cc1F)Br 62a_100009814013_100015614560 [0,1,0,0,0,0|1,2,0]=4 4524 B14R1.727 O[C@@H](CF)CSc1ccc(cc1F)Br 62a_100015614560_100009814013 [0,1,0,0,0,0|1,2,0]=4 4525 B14R1.727 O[C@@H](CF)CSc1ccc(cc1F)Cl 62a_100011216042_100015614560 [0,1,0,0,0,0|1,1,0]=3 4526 B14R1.727 O[C@@H](CF)CSc1ccc(cc1F)Cl 62a_100015614560_100011216042 [0,1,0,0,0,0|1,1,0]=3 4527 B14R1.727 O[C@@H](CF)CSc1ccc(cc1F)F 62a_100000750030_100015614560 [0,1,0,0,0,0|1,2,0]=4 4528 B14R1.727 O[C@@H](CF)CSc1ccc(cc1F)F 62a_100015614560_100000750030 [0,1,0,0,0,0|1,2,0]=4 4529 B14R1.727 O[C@@H](CF)CSc1ccc(nc1Cl)Cl 62a_100015614560_100000043682 [0,1,0,0,0,0|2,1,0]=4 4530 B14R1.727 O[C@@H](CF)CSc1ccc(nc1F)Cl 62a_100010168078_100015614560 [0,1,0,0,0,0|2,1,0]=4 4531 B14R1.727 O[C@@H](CF)CSc1ccc(nc1F)Cl 62a_100015614560_100010168078 [0,1,0,0,0,0|2,1,0]=4 4532 B14R1.727 O[C@@H](CF)CSc1cnc(cc1Cl)Cl 62a_100010200927_100015614560 [0,1,0,0,0,0|2,1,0]=4 4533 B14R1.727 O[C@@H](CF)CSc1cnc(cc1Cl)Cl 62a_100015614560_100010200927 [0,1,0,0,0,0|2,1,0]=4 4534 B14R1.727 O[C@@H](CF)CSc1cnc(cc1F)Cl 62a_100010128100_100015614560 [0,1,0,0,0,0|2,1,0]=4 4535 B14R1.727 O[C@@H](CF)CSc1cnc(cc1F)Cl 62a_100015614560_100010128100 [0,1,0,0,0,0|2,1,0]=4 4536 B14R1.727 O[C@@H](CF)CSc1ncc(cc1Br)Cl 62a_100012154958_100015614560 [0,1,0,0,0,0|2,1,0]=4 4537 B14R1.727 O[C@@H](CF)CSc1ncc(cc1Br)Cl 62a_100015614560_100012154958 [0,1,0,0,0,0|2,1,0]=4 4538 B14R1.727 O[C@@H](CF)CSc1ncc(cc1F)Cl 62a_100012348686_100015614560 [0,1,0,0,0,0|2,1,0]=4 4539 B14R1.727 O[C@@H](CF)CSc1ncc(cc1F)Cl 62a_100015614560_100012348686 [0,1,0,0,0,0|2,1,0]=4 4540 B14R1.727 Oc1cc(ccc1NC[C@@H](O)CF)Br 34a_100000739049_100015614560 [0,1,0,0,0,0|2,1,0]=4 4541 B14R1.727 Oc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100000185728_100015614560 [0,1,0,0,0,0|2,0,0]=3 4542 B14R1.727 Oc1cc(ccc1NC[C@@H](O)CF)F 34a_100000753323_100015614560 [0,1,0,0,0,0|2,1,0]=4 4543 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Br 62a_100012344904_100015614560 [0,1,0,0,0,0|1,2,0]=4 4544 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Br 62a_100015614560_100012344904 [0,1,0,0,0,0|1,2,0]=4 4545 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100000050036_100015614560 [0,1,0,0,0,0|1,1,0]=3 4546 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100000050036 [0,1,0,0,0,0|1,1,0]=3 4547 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)F 62a_100000690578_100015614560 [0,1,0,0,0,0|1,2,0]=4 4548 B14R1.727 Oc1cc(ccc1SC[C@@H](O)CF)F 62a_100015614560_100000690578 [0,1,0,0,0,0|1,2,0]=4 4549 B14R1.727 Oc1cc(cnc1SC[C@@H](O)CF)Cl 62a_100010233512_100015614560 [0,1,0,0,0,0|2,1,0]=4 4550 B14R1.727 Oc1cc(cnc1SC[C@@H](O)CF)Cl 62a_100015614560_100010233512 [0,1,0,0,0,0|2,1,0]=4 4551 B14R1.727 Oc1ccc(c(c1)Br)NC[C@@H](O)CF 34a_100012001276_100015614560 [0,1,0,0,0,0|3,0,0]=4 4552 B14R1.727 Oc1ccc(c(c1)Br)SC[C@@H](O)CF 62a_100000701344_100015614560 [0,1,0,0,0,0|2,1,0]=4 4553 B14R1.727 Oc1ccc(c(c1)Br)SC[C@@H](O)CF 62a_100015614560_100000701344 [0,1,0,0,0,0|2,1,0]=4 4554 B14R1.727 Oc1ccc(c(c1)Cl)NC[C@@H](O)CF 34a_100011215599_100015614560 [0,1,0,0,0,0|3,0,0]=4 4555 B14R1.727 Oc1ccc(c(c1)Cl)SC[C@@H](O)CF 62a_100000047559_100015614560 [0,1,0,0,0,0|2,1,0]=4 4556 B14R1.727 Oc1ccc(c(c1)Cl)SC[C@@H](O)CF 62a_100015614560_100000047559 [0,1,0,0,0,0|2,1,0]=4 4557 B14R1.727 Oc1ccc(c(c1)F)NC[C@@H](O)CF 34a_100000759473_100015614560 [0,1,0,0,0,0|3,0,0]=4 4558 B14R1.727 Oc1ccc(c(c1)F)SC[C@@H](O)CF 62a_100000755031_100015614560 [0,1,0,0,0,0|2,1,0]=4 4559 B14R1.727 Oc1ccc(c(c1)F)SC[C@@H](O)CF 62a_100015614560_100000755031 [0,1,0,0,0,0|2,1,0]=4 4560 B14R1.727 Oc1ccc(c(c1)I)NC[C@@H](O)CF 34a_100010084370_100015614560 [0,1,0,0,0,0|3,0,0]=4 4561 B14R1.727 Oc1ccc(c(c1)O)NC[C@@H](O)CF 34a_100000106777_100015614560 [0,1,0,0,0,0|3,0,0]=4 4562 B14R1.727 Oc1ccc(c(c1)O)SC[C@@H](O)CF 62a_100015614560_100009813921 [0,1,0,0,0,0|2,1,0]=4 4563 B14R1.727 [O-][n+]1cc(ccc1SCC(O)CO)F 62a_100009817261_100011219619 [0,1,0,0,0,0|1,2,0]=4 4564 B14R1.727 [O-][n+]1cc(ccc1SCC(O)CO)F 62a_100011219619_100009817261 [0,1,0,0,0,0|1,2,0]=4 4565 B14R1.727 [O-][n+]1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100009817261 [0,1,0,0,0,0|1,2,0]=4 4566 B14R1.727 [O-][n+]1cc(ccc1SC[C@@H](O)CO)F 62a_100009817261_100009815848 [0,1,0,0,0,0|1,2,0]=4 4567 B14R1.833 C=CC(O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000730141 [0,1,0,0,0,0|2,0,1]=4 4568 B14R1.833 C=CC(O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000730141 [0,1,0,0,0,0|2,0,1]=4 4569 B14R1.833 C=CC(O)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000730141 [0,1,0,0,0,0|2,0,1]=4 4570 B14R1.833 C=CC(O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000730141 [0,1,0,0,0,0|2,0,1]=4 4571 B14R1.833 C=CC(O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000730141 [0,1,0,0,0,0|2,0,1]=4 4572 B14R1.833 C=CC(O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000730141 [0,1,0,0,0,0|2,0,1]=4 4573 B14R1.833 C=CC(O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000730141 [0,1,0,0,0,0|2,0,1]=4 4574 B14R1.833 C=CC(O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000730141 [0,1,0,0,0,0|2,0,1]=4 4575 B14R1.833 C=CC(O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000730141 [0,1,0,0,0,0|2,0,1]=4 4576 B14R1.833 C=CC(O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000730141 [0,1,0,0,0,0|2,0,1]=4 4577 B14R1.833 C=CC(O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000730141 [0,1,0,0,0,0|2,0,1]=4 4578 B14R1.833 C=CC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000730141 [0,1,0,0,0,0|2,0,1]=4 4579 B14R1.833 C=CC(O)COc1cc(c(cn1)Cl)C 34a_200000085746_100000730141 [0,1,0,0,0,0|2,0,1]=4 4580 B14R1.833 C=CC(O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100000730141 [0,1,0,0,0,0|2,0,1]=4 4581 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)C 34a_100011380479_100000730141 [0,1,0,0,0,0|2,0,1]=4 4582 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)C 7a_100011380479_100000730141 [0,1,0,0,0,0|2,0,1]=4 4583 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000730141 [0,1,0,0,0,0|1,0,1]=3 4584 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000730141 [0,1,0,0,0,0|1,0,1]=3 4585 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100000730141 [0,1,0,0,0,0|1,1,1]=4 4586 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100000730141 [0,1,0,0,0,0|1,1,1]=4 4587 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100000730141 [0,1,0,0,0,0|1,1,1]=4 4588 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100000730141 [0,1,0,0,0,0|1,1,1]=4 4589 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)N 34a_100012001276_100000730141 [0,1,0,0,0,0|2,0,1]=4 4590 B14R1.833 C=CC(O)COc1ccc(c(c1)Br)N 7a_100012001276_100000730141 [0,1,0,0,0,0|2,0,1]=4 4591 B14R1.833 C=CC(O)COc1ccc(c(c1)C)Br 34a_100000690111_100000730141 [0,1,0,0,0,0|1,1,1]=4 4592 B14R1.833 C=CC(O)COc1ccc(c(c1)C)Br 7a_100000690111_100000730141 [0,1,0,0,0,0|1,1,1]=4 4593 B14R1.833 C=CC(O)COc1ccc(c(c1)C)C 34a_100000210932_100000730141 [0,1,0,0,0,0|2,0,1]=4 4594 B14R1.833 C=CC(O)COc1ccc(c(c1)C)C 7a_100000210932_100000730141 [0,1,0,0,0,0|2,0,1]=4 4595 B14R1.833 C=CC(O)COc1ccc(c(c1)C)Cl 34a_100000211092_100000730141 [0,1,0,0,0,0|1,0,1]=3 4596 B14R1.833 C=CC(O)COc1ccc(c(c1)C)Cl 7a_100000211092_100000730141 [0,1,0,0,0,0|1,0,1]=3 4597 B14R1.833 C=CC(O)COc1ccc(c(c1)C)F 34a_100000751312_100000730141 [0,1,0,0,0,0|1,1,1]=4 4598 B14R1.833 C=CC(O)COc1ccc(c(c1)C)F 7a_100000751312_100000730141 [0,1,0,0,0,0|1,1,1]=4 4599 B14R1.833 C=CC(O)COc1ccc(c(c1)C)I 34a_100000729255_100000730141 [0,1,0,0,0,0|1,1,1]=4 4600 B14R1.833 C=CC(O)COc1ccc(c(c1)C)I 7a_100000729255_100000730141 [0,1,0,0,0,0|1,1,1]=4 4601 B14R1.833 C=CC(O)COc1ccc(c(c1)C)N 34a_100000756630_100000730141 [0,1,0,0,0,0|2,0,1]=4 4602 B14R1.833 C=CC(O)COc1ccc(c(c1)C)N 7a_100000756630_100000730141 [0,1,0,0,0,0|2,0,1]=4 4603 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000730141 [0,1,0,0,0,0|1,1,1]=4 4604 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000730141 [0,1,0,0,0,0|1,1,1]=4 4605 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)C 34a_100011265682_100000730141 [0,1,0,0,0,0|2,0,1]=4 4606 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)C 7a_100011265682_100000730141 [0,1,0,0,0,0|2,0,1]=4 4607 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000730141 [0,1,0,0,0,0|1,0,1]=3 4608 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000730141 [0,1,0,0,0,0|1,0,1]=3 4609 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000730141 [0,1,0,0,0,0|1,1,1]=4 4610 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000730141 [0,1,0,0,0,0|1,1,1]=4 4611 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000730141 [0,1,0,0,0,0|1,1,1]=4 4612 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000730141 [0,1,0,0,0,0|1,1,1]=4 4613 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000730141 [0,1,0,0,0,0|2,0,1]=4 4614 B14R1.833 C=CC(O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000730141 [0,1,0,0,0,0|2,0,1]=4 4615 B14R1.833 C=CC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100000730141 [0,1,0,0,0,0|1,1,1]=4 4616 B14R1.833 C=CC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100000730141 [0,1,0,0,0,0|1,1,1]=4 4617 B14R1.833 C=CC(O)COc1ccc(c(c1)F)C 34a_100000722560_100000730141 [0,1,0,0,0,0|2,0,1]=4 4618 B14R1.833 C=CC(O)COc1ccc(c(c1)F)C 7a_100000722560_100000730141 [0,1,0,0,0,0|2,0,1]=4 4619 B14R1.833 C=CC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000730141 [0,1,0,0,0,0|1,0,1]=3 4620 B14R1.833 C=CC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000730141 [0,1,0,0,0,0|1,0,1]=3 4621 B14R1.833 C=CC(O)COc1ccc(c(c1)F)F 34a_100000181275_100000730141 [0,1,0,0,0,0|1,1,1]=4 4622 B14R1.833 C=CC(O)COc1ccc(c(c1)F)F 7a_100000181275_100000730141 [0,1,0,0,0,0|1,1,1]=4 4623 B14R1.833 C=CC(O)COc1ccc(c(c1)F)I 34a_100009990212_100000730141 [0,1,0,0,0,0|1,1,1]=4 4624 B14R1.833 C=CC(O)COc1ccc(c(c1)F)I 7a_100009990212_100000730141 [0,1,0,0,0,0|1,1,1]=4 4625 B14R1.833 C=CC(O)COc1ccc(c(c1)F)N 34a_100000759473_100000730141 [0,1,0,0,0,0|2,0,1]=4 4626 B14R1.833 C=CC(O)COc1ccc(c(c1)F)N 7a_100000759473_100000730141 [0,1,0,0,0,0|2,0,1]=4 4627 B14R1.833 C=CC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100000730141 [0,1,0,0,0,0|1,1,1]=4 4628 B14R1.833 C=CC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100000730141 [0,1,0,0,0,0|1,1,1]=4 4629 B14R1.833 C=CC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000730141 [0,1,0,0,0,0|1,0,1]=3 4630 B14R1.833 C=CC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000730141 [0,1,0,0,0,0|1,0,1]=3 4631 B14R1.833 C=CC(O)COc1ccc(c(c1)I)N 34a_100010084370_100000730141 [0,1,0,0,0,0|2,0,1]=4 4632 B14R1.833 C=CC(O)COc1ccc(c(c1)I)N 7a_100010084370_100000730141 [0,1,0,0,0,0|2,0,1]=4 4633 B14R1.833 C=CC(O)COc1ccc(c(c1)N)Br 34a_100011999798_100000730141 [0,1,0,0,0,0|1,1,1]=4 4634 B14R1.833 C=CC(O)COc1ccc(c(c1)N)Br 7a_100011999798_100000730141 [0,1,0,0,0,0|1,1,1]=4 4635 B14R1.833 C=CC(O)COc1ccc(c(c1)N)C 34a_100011216113_100000730141 [0,1,0,0,0,0|2,0,1]=4 4636 B14R1.833 C=CC(O)COc1ccc(c(c1)N)C 7a_100011216113_100000730141 [0,1,0,0,0,0|2,0,1]=4 4637 B14R1.833 C=CC(O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000730141 [0,1,0,0,0,0|1,0,1]=3 4638 B14R1.833 C=CC(O)COc1ccc(c(c1)N)F 34a_100012017239_100000730141 [0,1,0,0,0,0|1,1,1]=4 4639 B14R1.833 C=CC(O)COc1ccc(c(c1)N)F 7a_100012017239_100000730141 [0,1,0,0,0,0|1,1,1]=4 4640 B14R1.833 C=CC(O)COc1ccc(c(c1)N)N 34a_100025771000_100000730141 [0,1,0,0,0,0|2,0,1]=4 4641 B14R1.833 C=CC(O)COc1ccc(c(n1)C)Cl 34a_200009863735_100000730141 [0,1,0,0,0,0|2,0,1]=4 4642 B14R1.833 C=CC(O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100000730141 [0,1,0,0,0,0|2,0,1]=4 4643 B14R1.833 C=CC(O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000730141 [0,1,0,0,0,0|2,0,1]=4 4644 B14R1.833 C=CC(O)COc1cnc(c(c1)C)Cl 34a_100012002680_100000730141 [0,1,0,0,0,0|2,0,1]=4 4645 B14R1.833 C=CC(O)COc1cnc(c(c1)C)Cl 7a_100012002680_100000730141 [0,1,0,0,0,0|2,0,1]=4 4646 B14R1.833 C=CC(O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100000730141 [0,1,0,0,0,0|2,0,1]=4 4647 B14R1.833 C=CC(O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000730141 [0,1,0,0,0,0|2,0,1]=4 4648 B14R1.833 C=CC(O)COc1cnc(c(c1)F)Cl 34a_100000063512_100000730141 [0,1,0,0,0,0|2,0,1]=4 4649 B14R1.833 C=CC(O)COc1cnc(c(c1)F)Cl 7a_100000063512_100000730141 [0,1,0,0,0,0|2,0,1]=4 4650 B14R1.833 C=CC(O)CSc1ccc(c(c1)Br)Cl 62a_100000730141_100012353702 [0,1,0,0,0,0|1,1,1]=4 4651 B14R1.833 C=CC(O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000730141 [0,1,0,0,0,0|1,1,1]=4 4652 B14R1.833 C=CC(O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000730141 [0,1,0,0,0,0|1,1,1]=4 4653 B14R1.833 C=CC(O)CSc1ccc(c(c1)C)Cl 62a_100000730141_100000049509 [0,1,0,0,0,0|1,1,1]=4 4654 B14R1.833 C=CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100000730141_100011214914 [0,1,0,0,0,0|1,1,1]=4 4655 B14R1.833 C=CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000730141 [0,1,0,0,0,0|1,1,1]=4 4656 B14R1.833 C=CC(O)CSc1ccc(c(c1)F)Cl 62a_100000730141_100011216805 [0,1,0,0,0,0|1,1,1]=4 4657 B14R1.833 C=CC(O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000730141 [0,1,0,0,0,0|1,1,1]=4 4658 B14R1.833 C=CC(O)CSc1ccc(c(c1)N)Cl 62a_100000730141_200000761891 [0,1,0,0,0,0|1,1,1]=4 4659 B14R1.833 C=CC(O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000730141 [0,1,0,0,0,0|1,1,1]=4 4660 B14R1.833 C=CC(O)CSc1ccc(c(c1)O)Cl 62a_100000730141_100011356854 [0,1,0,0,0,0|1,1,1]=4 4661 B14R1.833 C=CC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000730141 [0,1,0,0,0,0|1,1,1]=4 4662 B14R1.833 CC(CO)NCc1ccc(c(c1)Br)Cl 2230a_100012349490_100012180447 [0,1,0,0,0,0|3,0,0]=4 4663 B14R1.833 CC(CO)NCc1ccc(c(c1)Br)Cl 34a_100012349490_100012180447 [0,1,0,0,0,0|3,0,0]=4 4664 B14R1.833 CC(CO)NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100012180447 [0,1,0,0,0,0|3,0,0]=4 4665 B14R1.833 CC(CO)NCc1ccc(c(c1)Cl)Cl 34a_100000174881_100012180447 [0,1,0,0,0,0|3,0,0]=4 4666 B14R1.833 CC(CO)NCc1ccc(c(c1)F)Cl 2230a_100011219866_100012180447 [0,1,0,0,0,0|3,0,0]=4 4667 B14R1.833 CC(CO)NCc1ccc(c(c1)F)Cl 34a_100011219866_100012180447 [0,1,0,0,0,0|3,0,0]=4 4668 B14R1.833 CC(CO)NCc1ccc(c(c1)O)Cl 34a_100020636435_100012180447 [0,1,0,0,0,0|3,0,0]=4 4669 B14R1.833 CC(CO)OCc1ccc(c(c1)Br)Cl 34a_100012353893_100012180447 [0,1,0,0,0,0|3,0,0]=4 4670 B14R1.833 CC(CO)OCc1ccc(c(c1)Br)Cl 7a_100012353893_100012180447 [0,1,0,0,0,0|3,0,0]=4 4671 B14R1.833 CC(CO)OCc1ccc(c(c1)Cl)Cl 34a_100000211588_100012180447 [0,1,0,0,0,0|3,0,0]=4 4672 B14R1.833 CC(CO)OCc1ccc(c(c1)Cl)Cl 7a_100000211588_100012180447 [0,1,0,0,0,0|3,0,0]=4 4673 B14R1.833 CC(CO)OCc1ccc(c(c1)F)Cl 34a_100011218299_100012180447 [0,1,0,0,0,0|3,0,0]=4 4674 B14R1.833 CC(CO)OCc1ccc(c(c1)F)Cl 7a_100011218299_100012180447 [0,1,0,0,0,0|3,0,0]=4 4675 B14R1.833 CC(CO)OCc1ccc(c(c1)N)Cl 34a_106256033963_100012180447 [0,1,0,0,0,0|3,0,0]=4 4676 B14R1.833 CC(CO)SCc1ccc(c(c1)Br)Cl 62a_100012180447_100012353894 [0,1,0,0,0,0|3,0,0]=4 4677 B14R1.833 CC(CO)SCc1ccc(c(c1)Cl)Cl 62a_100012180447_100000184707 [0,1,0,0,0,0|3,0,0]=4 4678 B14R1.833 CC(CO)SCc1ccc(c(c1)F)Cl 62a_100012180447_100000716492 [0,1,0,0,0,0|3,0,0]=4 4679 B14R1.833 CCC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000747405 [0,1,0,0,0,0|1,0,2]=4 4680 B14R1.833 CCC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_100000210202 [0,1,0,0,0,0|1,0,2]=4 4681 B14R1.833 CCC(=O)COc1ccc(c(c1)C)Cl 7a_100000211092_100000747405 [0,1,0,0,0,0|1,0,2]=4 4682 B14R1.833 CCC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_100000210202 [0,1,0,0,0,0|1,0,2]=4 4683 B14R1.833 CCC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000747405 [0,1,0,0,0,0|1,0,2]=4 4684 B14R1.833 CCC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_100000210202 [0,1,0,0,0,0|1,0,2]=4 4685 B14R1.833 CCC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000747405 [0,1,0,0,0,0|1,0,2]=4 4686 B14R1.833 CCC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000747405 [0,1,0,0,0,0|1,0,2]=4 4687 B14R1.833 CCC(C)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000748023 [0,1,0,0,0,0|3,0,0]=4 4688 B14R1.833 CCC(C)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000748023 [0,1,0,0,0,0|3,0,0]=4 4689 B14R1.833 CCC(C)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000748023 [0,1,0,0,0,0|3,0,0]=4 4690 B14R1.833 CCC(C)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000748023 [0,1,0,0,0,0|3,0,0]=4 4691 B14R1.833 CCC(C)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000748023 [0,1,0,0,0,0|3,0,0]=4 4692 B14R1.833 CCC(C)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000748023 [0,1,0,0,0,0|3,0,0]=4 4693 B14R1.833 CCC(C)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000748023 [0,1,0,0,0,0|3,0,0]=4 4694 B14R1.833 CCC(C)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000748023 [0,1,0,0,0,0|3,0,0]=4 4695 B14R1.833 CCC(C)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000748023 [0,1,0,0,0,0|3,0,0]=4 4696 B14R1.833 CCC(C)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000748023 [0,1,0,0,0,0|3,0,0]=4 4697 B14R1.833 CCC(C)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000748023 [0,1,0,0,0,0|3,0,0]=4 4698 B14R1.833 CCC(C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000748023 [0,1,0,0,0,0|3,0,0]=4 4699 B14R1.833 CCC(C)COc1cc(c(cn1)Cl)C 34a_200000085746_100000748023 [0,1,0,0,0,0|3,0,0]=4 4700 B14R1.833 CCC(C)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100000748023 [0,1,0,0,0,0|3,0,0]=4 4701 B14R1.833 CCC(C)COc1ccc(c(c1)Br)C 34a_100011380479_100000748023 [0,1,0,0,0,0|3,0,0]=4 4702 B14R1.833 CCC(C)COc1ccc(c(c1)Br)C 7a_100011380479_100000748023 [0,1,0,0,0,0|3,0,0]=4 4703 B14R1.833 CCC(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000748023 [0,1,0,0,0,0|2,0,0]=3 4704 B14R1.833 CCC(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000748023 [0,1,0,0,0,0|2,0,0]=3 4705 B14R1.833 CCC(C)COc1ccc(c(c1)Br)F 34a_100000693481_100000748023 [0,1,0,0,0,0|2,1,0]=4 4706 B14R1.833 CCC(C)COc1ccc(c(c1)Br)F 7a_100000693481_100000748023 [0,1,0,0,0,0|2,1,0]=4 4707 B14R1.833 CCC(C)COc1ccc(c(c1)Br)I 34a_100000701344_100000748023 [0,1,0,0,0,0|2,1,0]=4 4708 B14R1.833 CCC(C)COc1ccc(c(c1)Br)I 7a_100000701344_100000748023 [0,1,0,0,0,0|2,1,0]=4 4709 B14R1.833 CCC(C)COc1ccc(c(c1)Br)N 34a_100012001276_100000748023 [0,1,0,0,0,0|3,0,0]=4 4710 B14R1.833 CCC(C)COc1ccc(c(c1)Br)N 7a_100012001276_100000748023 [0,1,0,0,0,0|3,0,0]=4 4711 B14R1.833 CCC(C)COc1ccc(c(c1)C)Br 34a_100000690111_100000748023 [0,1,0,0,0,0|2,1,0]=4 4712 B14R1.833 CCC(C)COc1ccc(c(c1)C)Br 7a_100000690111_100000748023 [0,1,0,0,0,0|2,1,0]=4 4713 B14R1.833 CCC(C)COc1ccc(c(c1)C)C 34a_100000210932_100000748023 [0,1,0,0,0,0|3,0,0]=4 4714 B14R1.833 CCC(C)COc1ccc(c(c1)C)C 7a_100000210932_100000748023 [0,1,0,0,0,0|3,0,0]=4 4715 B14R1.833 CCC(C)COc1ccc(c(c1)C)Cl 34a_100000211092_100000748023 [0,1,0,0,0,0|2,0,0]=3 4716 B14R1.833 CCC(C)COc1ccc(c(c1)C)Cl 7a_100000211092_100000748023 [0,1,0,0,0,0|2,0,0]=3 4717 B14R1.833 CCC(C)COc1ccc(c(c1)C)F 34a_100000751312_100000748023 [0,1,0,0,0,0|2,1,0]=4 4718 B14R1.833 CCC(C)COc1ccc(c(c1)C)F 7a_100000751312_100000748023 [0,1,0,0,0,0|2,1,0]=4 4719 B14R1.833 CCC(C)COc1ccc(c(c1)C)I 34a_100000729255_100000748023 [0,1,0,0,0,0|2,1,0]=4 4720 B14R1.833 CCC(C)COc1ccc(c(c1)C)I 7a_100000729255_100000748023 [0,1,0,0,0,0|2,1,0]=4 4721 B14R1.833 CCC(C)COc1ccc(c(c1)C)N 34a_100000756630_100000748023 [0,1,0,0,0,0|3,0,0]=4 4722 B14R1.833 CCC(C)COc1ccc(c(c1)C)N 7a_100000756630_100000748023 [0,1,0,0,0,0|3,0,0]=4 4723 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000748023 [0,1,0,0,0,0|2,1,0]=4 4724 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000748023 [0,1,0,0,0,0|2,1,0]=4 4725 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)C 34a_100011265682_100000748023 [0,1,0,0,0,0|3,0,0]=4 4726 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)C 7a_100011265682_100000748023 [0,1,0,0,0,0|3,0,0]=4 4727 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000748023 [0,1,0,0,0,0|2,0,0]=3 4728 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000748023 [0,1,0,0,0,0|2,0,0]=3 4729 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)F 34a_100000211030_100000748023 [0,1,0,0,0,0|2,1,0]=4 4730 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)F 7a_100000211030_100000748023 [0,1,0,0,0,0|2,1,0]=4 4731 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)I 34a_100000047559_100000748023 [0,1,0,0,0,0|2,1,0]=4 4732 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)I 7a_100000047559_100000748023 [0,1,0,0,0,0|2,1,0]=4 4733 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)N 34a_100011215599_100000748023 [0,1,0,0,0,0|3,0,0]=4 4734 B14R1.833 CCC(C)COc1ccc(c(c1)Cl)N 7a_100011215599_100000748023 [0,1,0,0,0,0|3,0,0]=4 4735 B14R1.833 CCC(C)COc1ccc(c(c1)F)Br 34a_100000755031_100000748023 [0,1,0,0,0,0|2,1,0]=4 4736 B14R1.833 CCC(C)COc1ccc(c(c1)F)Br 7a_100000755031_100000748023 [0,1,0,0,0,0|2,1,0]=4 4737 B14R1.833 CCC(C)COc1ccc(c(c1)F)C 34a_100000722560_100000748023 [0,1,0,0,0,0|3,0,0]=4 4738 B14R1.833 CCC(C)COc1ccc(c(c1)F)C 7a_100000722560_100000748023 [0,1,0,0,0,0|3,0,0]=4 4739 B14R1.833 CCC(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000748023 [0,1,0,0,0,0|2,0,0]=3 4740 B14R1.833 CCC(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000748023 [0,1,0,0,0,0|2,0,0]=3 4741 B14R1.833 CCC(C)COc1ccc(c(c1)F)F 34a_100000181275_100000748023 [0,1,0,0,0,0|2,1,0]=4 4742 B14R1.833 CCC(C)COc1ccc(c(c1)F)F 7a_100000181275_100000748023 [0,1,0,0,0,0|2,1,0]=4 4743 B14R1.833 CCC(C)COc1ccc(c(c1)F)I 34a_100009990212_100000748023 [0,1,0,0,0,0|2,1,0]=4 4744 B14R1.833 CCC(C)COc1ccc(c(c1)F)I 7a_100009990212_100000748023 [0,1,0,0,0,0|2,1,0]=4 4745 B14R1.833 CCC(C)COc1ccc(c(c1)F)N 34a_100000759473_100000748023 [0,1,0,0,0,0|3,0,0]=4 4746 B14R1.833 CCC(C)COc1ccc(c(c1)F)N 7a_100000759473_100000748023 [0,1,0,0,0,0|3,0,0]=4 4747 B14R1.833 CCC(C)COc1ccc(c(c1)I)Br 34a_100012339312_100000748023 [0,1,0,0,0,0|2,1,0]=4 4748 B14R1.833 CCC(C)COc1ccc(c(c1)I)Br 7a_100012339312_100000748023 [0,1,0,0,0,0|2,1,0]=4 4749 B14R1.833 CCC(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000748023 [0,1,0,0,0,0|2,0,0]=3 4750 B14R1.833 CCC(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000748023 [0,1,0,0,0,0|2,0,0]=3 4751 B14R1.833 CCC(C)COc1ccc(c(c1)I)N 34a_100010084370_100000748023 [0,1,0,0,0,0|3,0,0]=4 4752 B14R1.833 CCC(C)COc1ccc(c(c1)I)N 7a_100010084370_100000748023 [0,1,0,0,0,0|3,0,0]=4 4753 B14R1.833 CCC(C)COc1ccc(c(c1)N)Br 34a_100011999798_100000748023 [0,1,0,0,0,0|2,1,0]=4 4754 B14R1.833 CCC(C)COc1ccc(c(c1)N)Br 7a_100011999798_100000748023 [0,1,0,0,0,0|2,1,0]=4 4755 B14R1.833 CCC(C)COc1ccc(c(c1)N)C 34a_100011216113_100000748023 [0,1,0,0,0,0|3,0,0]=4 4756 B14R1.833 CCC(C)COc1ccc(c(c1)N)C 7a_100011216113_100000748023 [0,1,0,0,0,0|3,0,0]=4 4757 B14R1.833 CCC(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000748023 [0,1,0,0,0,0|2,0,0]=3 4758 B14R1.833 CCC(C)COc1ccc(c(c1)N)F 34a_100012017239_100000748023 [0,1,0,0,0,0|2,1,0]=4 4759 B14R1.833 CCC(C)COc1ccc(c(c1)N)F 7a_100012017239_100000748023 [0,1,0,0,0,0|2,1,0]=4 4760 B14R1.833 CCC(C)COc1ccc(c(c1)N)N 34a_100025771000_100000748023 [0,1,0,0,0,0|3,0,0]=4 4761 B14R1.833 CCC(C)COc1ccc(c(n1)C)Cl 34a_200009863735_100000748023 [0,1,0,0,0,0|3,0,0]=4 4762 B14R1.833 CCC(C)COc1cnc(c(c1)Br)Cl 34a_100012356455_100000748023 [0,1,0,0,0,0|3,0,0]=4 4763 B14R1.833 CCC(C)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000748023 [0,1,0,0,0,0|3,0,0]=4 4764 B14R1.833 CCC(C)COc1cnc(c(c1)C)Cl 34a_100012002680_100000748023 [0,1,0,0,0,0|3,0,0]=4 4765 B14R1.833 CCC(C)COc1cnc(c(c1)C)Cl 7a_100012002680_100000748023 [0,1,0,0,0,0|3,0,0]=4 4766 B14R1.833 CCC(C)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100000748023 [0,1,0,0,0,0|3,0,0]=4 4767 B14R1.833 CCC(C)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000748023 [0,1,0,0,0,0|3,0,0]=4 4768 B14R1.833 CCC(C)COc1cnc(c(c1)F)Cl 34a_100000063512_100000748023 [0,1,0,0,0,0|3,0,0]=4 4769 B14R1.833 CCC(C)COc1cnc(c(c1)F)Cl 7a_100000063512_100000748023 [0,1,0,0,0,0|3,0,0]=4 4770 B14R1.833 CCC(C)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000748023 [0,1,0,0,0,0|2,1,0]=4 4771 B14R1.833 CCC(C)CSc1ccc(c(c1)C)Cl 62a_100000748023_100000049509 [0,1,0,0,0,0|2,1,0]=4 4772 B14R1.833 CCC(C)CSc1ccc(c(c1)F)Cl 62a_100000748023_100011216805 [0,1,0,0,0,0|2,1,0]=4 4773 B14R1.833 CCC(C)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000748023 [0,1,0,0,0,0|2,1,0]=4 4774 B14R1.833 CCC(C)CSc1ccc(c(c1)N)Cl 62a_100000748023_200000761891 [0,1,0,0,0,0|2,1,0]=4 4775 B14R1.833 CCC(C)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000748023 [0,1,0,0,0,0|2,1,0]=4 4776 B14R1.833 CCC(C)CSc1ccc(c(c1)O)Cl 62a_100000748023_100011356854 [0,1,0,0,0,0|2,1,0]=4 4777 B14R1.833 CCC(C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000748023 [0,1,0,0,0,0|2,1,0]=4 4778 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100011218378 [0,1,0,0,0,0|2,1,0]=4 4779 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100011218378 [0,1,0,0,0,0|2,1,0]=4 4780 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100011218378 [0,1,0,0,0,0|2,1,0]=4 4781 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)C 2230a_100000736455_100011218378 [0,1,0,0,0,0|3,0,0]=4 4782 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)C 34a_100000736455_100011218378 [0,1,0,0,0,0|3,0,0]=4 4783 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)C 7a_100000736455_100011218378 [0,1,0,0,0,0|3,0,0]=4 4784 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011218378 [0,1,0,0,0,0|2,0,0]=3 4785 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100011218378 [0,1,0,0,0,0|2,0,0]=3 4786 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100011218378 [0,1,0,0,0,0|2,1,0]=4 4787 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)F 34a_100000760356_100011218378 [0,1,0,0,0,0|2,1,0]=4 4788 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)F 7a_100000760356_100011218378 [0,1,0,0,0,0|2,1,0]=4 4789 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)I 34a_100000750458_100011218378 [0,1,0,0,0,0|2,1,0]=4 4790 B14R1.833 CCC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011218378 [0,1,0,0,0,0|3,0,0]=4 4791 B14R1.833 CCC(O)CNc1ccc(c(c1)C)Br 2230a_100000210723_100011218378 [0,1,0,0,0,0|2,1,0]=4 4792 B14R1.833 CCC(O)CNc1ccc(c(c1)C)Br 34a_100000210723_100011218378 [0,1,0,0,0,0|2,1,0]=4 4793 B14R1.833 CCC(O)CNc1ccc(c(c1)C)Br 7a_100000210723_100011218378 [0,1,0,0,0,0|2,1,0]=4 4794 B14R1.833 CCC(O)CNc1ccc(c(c1)C)C 2230a_100000724040_100011218378 [0,1,0,0,0,0|3,0,0]=4 4795 B14R1.833 CCC(O)CNc1ccc(c(c1)C)C 34a_100000724040_100011218378 [0,1,0,0,0,0|3,0,0]=4 4796 B14R1.833 CCC(O)CNc1ccc(c(c1)C)C 7a_100000724040_100011218378 [0,1,0,0,0,0|3,0,0]=4 4797 B14R1.833 CCC(O)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100011218378 [0,1,0,0,0,0|2,0,0]=3 4798 B14R1.833 CCC(O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100011218378 [0,1,0,0,0,0|2,0,0]=3 4799 B14R1.833 CCC(O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100011218378 [0,1,0,0,0,0|2,0,0]=3 4800 B14R1.833 CCC(O)CNc1ccc(c(c1)C)F 2230a_100000750164_100011218378 [0,1,0,0,0,0|2,1,0]=4 4801 B14R1.833 CCC(O)CNc1ccc(c(c1)C)F 34a_100000750164_100011218378 [0,1,0,0,0,0|2,1,0]=4 4802 B14R1.833 CCC(O)CNc1ccc(c(c1)C)F 7a_100000750164_100011218378 [0,1,0,0,0,0|2,1,0]=4 4803 B14R1.833 CCC(O)CNc1ccc(c(c1)C)I 34a_100000198070_100011218378 [0,1,0,0,0,0|2,1,0]=4 4804 B14R1.833 CCC(O)CNc1ccc(c(c1)C)I 7a_100000198070_100011218378 [0,1,0,0,0,0|2,1,0]=4 4805 B14R1.833 CCC(O)CNc1ccc(c(c1)C)O 34a_100011218179_100011218378 [0,1,0,0,0,0|3,0,0]=4 4806 B14R1.833 CCC(O)CNc1ccc(c(c1)C)O 7a_100011218179_100011218378 [0,1,0,0,0,0|3,0,0]=4 4807 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011218378 [0,1,0,0,0,0|2,1,0]=4 4808 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100011218378 [0,1,0,0,0,0|2,1,0]=4 4809 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100011218378 [0,1,0,0,0,0|2,1,0]=4 4810 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100011218378 [0,1,0,0,0,0|3,0,0]=4 4811 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)C 34a_100000188892_100011218378 [0,1,0,0,0,0|3,0,0]=4 4812 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)C 7a_100000188892_100011218378 [0,1,0,0,0,0|3,0,0]=4 4813 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011218378 [0,1,0,0,0,0|2,0,0]=3 4814 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011218378 [0,1,0,0,0,0|2,0,0]=3 4815 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100011218378 [0,1,0,0,0,0|2,1,0]=4 4816 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100011218378 [0,1,0,0,0,0|2,1,0]=4 4817 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100011218378 [0,1,0,0,0,0|2,1,0]=4 4818 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100011218378 [0,1,0,0,0,0|2,1,0]=4 4819 B14R1.833 CCC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011218378 [0,1,0,0,0,0|3,0,0]=4 4820 B14R1.833 CCC(O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100011218378 [0,1,0,0,0,0|2,1,0]=4 4821 B14R1.833 CCC(O)CNc1ccc(c(c1)F)Br 34a_100000759894_100011218378 [0,1,0,0,0,0|2,1,0]=4 4822 B14R1.833 CCC(O)CNc1ccc(c(c1)F)Br 7a_100000759894_100011218378 [0,1,0,0,0,0|2,1,0]=4 4823 B14R1.833 CCC(O)CNc1ccc(c(c1)F)C 2230a_100000210958_100011218378 [0,1,0,0,0,0|3,0,0]=4 4824 B14R1.833 CCC(O)CNc1ccc(c(c1)F)C 34a_100000210958_100011218378 [0,1,0,0,0,0|3,0,0]=4 4825 B14R1.833 CCC(O)CNc1ccc(c(c1)F)C 7a_100000210958_100011218378 [0,1,0,0,0,0|3,0,0]=4 4826 B14R1.833 CCC(O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100011218378 [0,1,0,0,0,0|2,0,0]=3 4827 B14R1.833 CCC(O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100011218378 [0,1,0,0,0,0|2,0,0]=3 4828 B14R1.833 CCC(O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100011218378 [0,1,0,0,0,0|2,0,0]=3 4829 B14R1.833 CCC(O)CNc1ccc(c(c1)F)F 2230a_100000210724_100011218378 [0,1,0,0,0,0|2,1,0]=4 4830 B14R1.833 CCC(O)CNc1ccc(c(c1)F)F 34a_100000210724_100011218378 [0,1,0,0,0,0|2,1,0]=4 4831 B14R1.833 CCC(O)CNc1ccc(c(c1)F)F 7a_100000210724_100011218378 [0,1,0,0,0,0|2,1,0]=4 4832 B14R1.833 CCC(O)CNc1ccc(c(c1)F)I 34a_100011356925_100011218378 [0,1,0,0,0,0|2,1,0]=4 4833 B14R1.833 CCC(O)CNc1ccc(c(c1)F)I 7a_100011356925_100011218378 [0,1,0,0,0,0|2,1,0]=4 4834 B14R1.833 CCC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011218378 [0,1,0,0,0,0|3,0,0]=4 4835 B14R1.833 CCC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011218378 [0,1,0,0,0,0|3,0,0]=4 4836 B14R1.833 CCC(O)CNc1ccc(c(c1)I)Br 34a_100000750459_100011218378 [0,1,0,0,0,0|2,1,0]=4 4837 B14R1.833 CCC(O)CNc1ccc(c(c1)I)C 34a_100000184131_100011218378 [0,1,0,0,0,0|3,0,0]=4 4838 B14R1.833 CCC(O)CNc1ccc(c(c1)I)C 7a_100000184131_100011218378 [0,1,0,0,0,0|3,0,0]=4 4839 B14R1.833 CCC(O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100011218378 [0,1,0,0,0,0|2,0,0]=3 4840 B14R1.833 CCC(O)CNc1ccc(c(c1)I)F 34a_114828291077_100011218378 [0,1,0,0,0,0|2,1,0]=4 4841 B14R1.833 CCC(O)CNc1ccc(c(c1)I)F 7a_114828291077_100011218378 [0,1,0,0,0,0|2,1,0]=4 4842 B14R1.833 CCC(O)CNc1ccc(c(c1)O)C 34a_100000759471_100011218378 [0,1,0,0,0,0|3,0,0]=4 4843 B14R1.833 CCC(O)CNc1ccc(c(c1)O)C 7a_100000759471_100011218378 [0,1,0,0,0,0|3,0,0]=4 4844 B14R1.833 CCC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011218378 [0,1,0,0,0,0|2,0,0]=3 4845 B14R1.833 CCC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011218378 [0,1,0,0,0,0|2,1,0]=4 4846 B14R1.833 CCC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011218378 [0,1,0,0,0,0|2,1,0]=4 4847 B14R1.833 CCC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218378 [0,1,0,0,0,0|3,0,0]=4 4848 B14R1.833 CCC(O)COc1cc(c(cn1)Br)C 34a_100000766222_100011218378 [0,1,0,0,0,0|2,1,0]=4 4849 B14R1.833 CCC(O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100011218378 [0,1,0,0,0,0|2,1,0]=4 4850 B14R1.833 CCC(O)COc1cc(c(cn1)C)Br 34a_100009831917_100011218378 [0,1,0,0,0,0|3,0,0]=4 4851 B14R1.833 CCC(O)COc1cc(c(cn1)Cl)C 34a_200000085746_100011218378 [0,1,0,0,0,0|2,0,0]=3 4852 B14R1.833 CCC(O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100011218378 [0,1,0,0,0,0|2,0,0]=3 4853 B14R1.833 CCC(O)COc1ccc(c(c1)Br)C 34a_100011380479_100011218378 [0,1,0,0,0,0|2,0,0]=3 4854 B14R1.833 CCC(O)COc1ccc(c(c1)Br)C 7a_100011380479_100011218378 [0,1,0,0,0,0|2,0,0]=3 4855 B14R1.833 CCC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011218378 [0,1,0,0,0,0|1,0,0]=2 4856 B14R1.833 CCC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011218378 [0,1,0,0,0,0|1,0,0]=2 4857 B14R1.833 CCC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100011218378 [0,1,0,0,0,0|1,1,0]=3 4858 B14R1.833 CCC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100011218378 [0,1,0,0,0,0|1,1,0]=3 4859 B14R1.833 CCC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100011218378 [0,1,0,0,0,0|1,1,0]=3 4860 B14R1.833 CCC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100011218378 [0,1,0,0,0,0|1,1,0]=3 4861 B14R1.833 CCC(O)COc1ccc(c(c1)Br)N 34a_100012001276_100011218378 [0,1,0,0,0,0|2,0,0]=3 4862 B14R1.833 CCC(O)COc1ccc(c(c1)Br)N 7a_100012001276_100011218378 [0,1,0,0,0,0|2,0,0]=3 4863 B14R1.833 CCC(O)COc1ccc(c(c1)C)Br 34a_100000690111_100011218378 [0,1,0,0,0,0|1,1,0]=3 4864 B14R1.833 CCC(O)COc1ccc(c(c1)C)Br 7a_100000690111_100011218378 [0,1,0,0,0,0|1,1,0]=3 4865 B14R1.833 CCC(O)COc1ccc(c(c1)C)C 34a_100000210932_100011218378 [0,1,0,0,0,0|2,0,0]=3 4866 B14R1.833 CCC(O)COc1ccc(c(c1)C)C 7a_100000210932_100011218378 [0,1,0,0,0,0|2,0,0]=3 4867 B14R1.833 CCC(O)COc1ccc(c(c1)C)Cl 34a_100000211092_100011218378 [0,1,0,0,0,0|1,0,0]=2 4868 B14R1.833 CCC(O)COc1ccc(c(c1)C)Cl 7a_100000211092_100011218378 [0,1,0,0,0,0|1,0,0]=2 4869 B14R1.833 CCC(O)COc1ccc(c(c1)C)F 34a_100000751312_100011218378 [0,1,0,0,0,0|1,1,0]=3 4870 B14R1.833 CCC(O)COc1ccc(c(c1)C)F 7a_100000751312_100011218378 [0,1,0,0,0,0|1,1,0]=3 4871 B14R1.833 CCC(O)COc1ccc(c(c1)C)I 34a_100000729255_100011218378 [0,1,0,0,0,0|1,1,0]=3 4872 B14R1.833 CCC(O)COc1ccc(c(c1)C)I 7a_100000729255_100011218378 [0,1,0,0,0,0|1,1,0]=3 4873 B14R1.833 CCC(O)COc1ccc(c(c1)C)N 34a_100000756630_100011218378 [0,1,0,0,0,0|2,0,0]=3 4874 B14R1.833 CCC(O)COc1ccc(c(c1)C)N 7a_100000756630_100011218378 [0,1,0,0,0,0|2,0,0]=3 4875 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011218378 [0,1,0,0,0,0|1,1,0]=3 4876 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011218378 [0,1,0,0,0,0|1,1,0]=3 4877 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)C 34a_100011265682_100011218378 [0,1,0,0,0,0|2,0,0]=3 4878 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)C 7a_100011265682_100011218378 [0,1,0,0,0,0|2,0,0]=3 4879 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218378 [0,1,0,0,0,0|1,0,0]=2 4880 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011218378 [0,1,0,0,0,0|1,0,0]=2 4881 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100011218378 [0,1,0,0,0,0|1,1,0]=3 4882 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100011218378 [0,1,0,0,0,0|1,1,0]=3 4883 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100011218378 [0,1,0,0,0,0|1,1,0]=3 4884 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100011218378 [0,1,0,0,0,0|1,1,0]=3 4885 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)N 34a_100011215599_100011218378 [0,1,0,0,0,0|2,0,0]=3 4886 B14R1.833 CCC(O)COc1ccc(c(c1)Cl)N 7a_100011215599_100011218378 [0,1,0,0,0,0|2,0,0]=3 4887 B14R1.833 CCC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100011218378 [0,1,0,0,0,0|1,1,0]=3 4888 B14R1.833 CCC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100011218378 [0,1,0,0,0,0|1,1,0]=3 4889 B14R1.833 CCC(O)COc1ccc(c(c1)F)C 34a_100000722560_100011218378 [0,1,0,0,0,0|2,0,0]=3 4890 B14R1.833 CCC(O)COc1ccc(c(c1)F)C 7a_100000722560_100011218378 [0,1,0,0,0,0|2,0,0]=3 4891 B14R1.833 CCC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100011218378 [0,1,0,0,0,0|1,0,0]=2 4892 B14R1.833 CCC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100011218378 [0,1,0,0,0,0|1,0,0]=2 4893 B14R1.833 CCC(O)COc1ccc(c(c1)F)F 34a_100000181275_100011218378 [0,1,0,0,0,0|1,1,0]=3 4894 B14R1.833 CCC(O)COc1ccc(c(c1)F)F 7a_100000181275_100011218378 [0,1,0,0,0,0|1,1,0]=3 4895 B14R1.833 CCC(O)COc1ccc(c(c1)F)I 34a_100009990212_100011218378 [0,1,0,0,0,0|1,1,0]=3 4896 B14R1.833 CCC(O)COc1ccc(c(c1)F)I 7a_100009990212_100011218378 [0,1,0,0,0,0|1,1,0]=3 4897 B14R1.833 CCC(O)COc1ccc(c(c1)F)N 34a_100000759473_100011218378 [0,1,0,0,0,0|2,0,0]=3 4898 B14R1.833 CCC(O)COc1ccc(c(c1)F)N 7a_100000759473_100011218378 [0,1,0,0,0,0|2,0,0]=3 4899 B14R1.833 CCC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100011218378 [0,1,0,0,0,0|1,1,0]=3 4900 B14R1.833 CCC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100011218378 [0,1,0,0,0,0|1,1,0]=3 4901 B14R1.833 CCC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100011218378 [0,1,0,0,0,0|1,0,0]=2 4902 B14R1.833 CCC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100011218378 [0,1,0,0,0,0|1,0,0]=2 4903 B14R1.833 CCC(O)COc1ccc(c(c1)I)N 34a_100010084370_100011218378 [0,1,0,0,0,0|2,0,0]=3 4904 B14R1.833 CCC(O)COc1ccc(c(c1)I)N 7a_100010084370_100011218378 [0,1,0,0,0,0|2,0,0]=3 4905 B14R1.833 CCC(O)COc1ccc(c(c1)N)Br 34a_100011999798_100011218378 [0,1,0,0,0,0|1,1,0]=3 4906 B14R1.833 CCC(O)COc1ccc(c(c1)N)Br 7a_100011999798_100011218378 [0,1,0,0,0,0|1,1,0]=3 4907 B14R1.833 CCC(O)COc1ccc(c(c1)N)C 34a_100011216113_100011218378 [0,1,0,0,0,0|2,0,0]=3 4908 B14R1.833 CCC(O)COc1ccc(c(c1)N)C 7a_100011216113_100011218378 [0,1,0,0,0,0|2,0,0]=3 4909 B14R1.833 CCC(O)COc1ccc(c(c1)N)Cl 34a_100011934297_100011218378 [0,1,0,0,0,0|1,0,0]=2 4910 B14R1.833 CCC(O)COc1ccc(c(c1)N)F 34a_100012017239_100011218378 [0,1,0,0,0,0|1,1,0]=3 4911 B14R1.833 CCC(O)COc1ccc(c(c1)N)F 7a_100012017239_100011218378 [0,1,0,0,0,0|1,1,0]=3 4912 B14R1.833 CCC(O)COc1ccc(c(c1)N)N 34a_100025771000_100011218378 [0,1,0,0,0,0|2,0,0]=3 4913 B14R1.833 CCC(O)COc1ccc(c(n1)C)Br 34a_100000691680_100011218378 [0,1,0,0,0,0|2,1,0]=4 4914 B14R1.833 CCC(O)COc1ccc(c(n1)C)Cl 34a_200009863735_100011218378 [0,1,0,0,0,0|2,0,0]=3 4915 B14R1.833 CCC(O)COc1ccc(c(n1)F)Br 34a_100009879308_100011218378 [0,1,0,0,0,0|2,1,0]=4 4916 B14R1.833 CCC(O)COc1cnc(c(c1)Br)C 34a_100009819603_100011218378 [0,1,0,0,0,0|3,0,0]=4 4917 B14R1.833 CCC(O)COc1cnc(c(c1)Br)C 7a_100009819603_100011218378 [0,1,0,0,0,0|3,0,0]=4 4918 B14R1.833 CCC(O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100011218378 [0,1,0,0,0,0|2,0,0]=3 4919 B14R1.833 CCC(O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100011218378 [0,1,0,0,0,0|2,0,0]=3 4920 B14R1.833 CCC(O)COc1cnc(c(c1)Br)F 34a_100009817267_100011218378 [0,1,0,0,0,0|2,1,0]=4 4921 B14R1.833 CCC(O)COc1cnc(c(c1)Br)F 7a_100009817267_100011218378 [0,1,0,0,0,0|2,1,0]=4 4922 B14R1.833 CCC(O)COc1cnc(c(c1)C)Br 34a_100012000486_100011218378 [0,1,0,0,0,0|2,1,0]=4 4923 B14R1.833 CCC(O)COc1cnc(c(c1)C)Br 7a_100012000486_100011218378 [0,1,0,0,0,0|2,1,0]=4 4924 B14R1.833 CCC(O)COc1cnc(c(c1)C)C 34a_100009854398_100011218378 [0,1,0,0,0,0|3,0,0]=4 4925 B14R1.833 CCC(O)COc1cnc(c(c1)C)C 7a_100009854398_100011218378 [0,1,0,0,0,0|3,0,0]=4 4926 B14R1.833 CCC(O)COc1cnc(c(c1)C)Cl 34a_100012002680_100011218378 [0,1,0,0,0,0|2,0,0]=3 4927 B14R1.833 CCC(O)COc1cnc(c(c1)C)Cl 7a_100012002680_100011218378 [0,1,0,0,0,0|2,0,0]=3 4928 B14R1.833 CCC(O)COc1cnc(c(c1)C)F 34a_100000094615_100011218378 [0,1,0,0,0,0|2,1,0]=4 4929 B14R1.833 CCC(O)COc1cnc(c(c1)C)F 7a_100000094615_100011218378 [0,1,0,0,0,0|2,1,0]=4 4930 B14R1.833 CCC(O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100011218378 [0,1,0,0,0,0|2,1,0]=4 4931 B14R1.833 CCC(O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100011218378 [0,1,0,0,0,0|2,1,0]=4 4932 B14R1.833 CCC(O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100011218378 [0,1,0,0,0,0|2,0,0]=3 4933 B14R1.833 CCC(O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100011218378 [0,1,0,0,0,0|2,0,0]=3 4934 B14R1.833 CCC(O)COc1cnc(c(c1)Cl)F 34a_100000087088_100011218378 [0,1,0,0,0,0|2,1,0]=4 4935 B14R1.833 CCC(O)COc1cnc(c(c1)Cl)F 7a_100000087088_100011218378 [0,1,0,0,0,0|2,1,0]=4 4936 B14R1.833 CCC(O)COc1cnc(c(c1)F)Cl 34a_100000063512_100011218378 [0,1,0,0,0,0|2,0,0]=3 4937 B14R1.833 CCC(O)COc1cnc(c(c1)F)Cl 7a_100000063512_100011218378 [0,1,0,0,0,0|2,0,0]=3 4938 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)Br 62a_100011218378_100012356285 [0,1,0,0,0,0|1,2,0]=4 4939 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100011218378 [0,1,0,0,0,0|1,2,0]=4 4940 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)C 62a_100011218378_100011847877 [0,1,0,0,0,0|2,1,0]=4 4941 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)C 62a_100011847877_100011218378 [0,1,0,0,0,0|2,1,0]=4 4942 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)Cl 62a_100011218378_100012353702 [0,1,0,0,0,0|1,1,0]=3 4943 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100011218378 [0,1,0,0,0,0|1,1,0]=3 4944 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)F 62a_100011218378_100012047266 [0,1,0,0,0,0|1,2,0]=4 4945 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)F 62a_100012047266_100011218378 [0,1,0,0,0,0|1,2,0]=4 4946 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)N 62a_100000750455_100011218378 [0,1,0,0,0,0|2,1,0]=4 4947 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)N 62a_100011218378_100000750455 [0,1,0,0,0,0|2,1,0]=4 4948 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)O 62a_100011218378_100012361655 [0,1,0,0,0,0|2,1,0]=4 4949 B14R1.833 CCC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011218378 [0,1,0,0,0,0|2,1,0]=4 4950 B14R1.833 CCC(O)CSc1ccc(c(c1)C)Br 62a_100009813585_100011218378 [0,1,0,0,0,0|1,2,0]=4 4951 B14R1.833 CCC(O)CSc1ccc(c(c1)C)Br 62a_100011218378_100009813585 [0,1,0,0,0,0|1,2,0]=4 4952 B14R1.833 CCC(O)CSc1ccc(c(c1)C)C 62a_100011215607_100011218378 [0,1,0,0,0,0|2,1,0]=4 4953 B14R1.833 CCC(O)CSc1ccc(c(c1)C)C 62a_100011218378_100011215607 [0,1,0,0,0,0|2,1,0]=4 4954 B14R1.833 CCC(O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100011218378 [0,1,0,0,0,0|1,1,0]=3 4955 B14R1.833 CCC(O)CSc1ccc(c(c1)C)Cl 62a_100011218378_100000049509 [0,1,0,0,0,0|1,1,0]=3 4956 B14R1.833 CCC(O)CSc1ccc(c(c1)C)F 62a_100011218330_100011218378 [0,1,0,0,0,0|1,2,0]=4 4957 B14R1.833 CCC(O)CSc1ccc(c(c1)C)F 62a_100011218378_100011218330 [0,1,0,0,0,0|1,2,0]=4 4958 B14R1.833 CCC(O)CSc1ccc(c(c1)C)N 62a_100000211769_100011218378 [0,1,0,0,0,0|2,1,0]=4 4959 B14R1.833 CCC(O)CSc1ccc(c(c1)C)N 62a_100011218378_100000211769 [0,1,0,0,0,0|2,1,0]=4 4960 B14R1.833 CCC(O)CSc1ccc(c(c1)C)O 62a_100011218378_100000186361 [0,1,0,0,0,0|2,1,0]=4 4961 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)Br 62a_100011218378_100012047281 [0,1,0,0,0,0|1,2,0]=4 4962 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100011218378 [0,1,0,0,0,0|1,2,0]=4 4963 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)C 62a_100011216363_100011218378 [0,1,0,0,0,0|2,1,0]=4 4964 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)C 62a_100011218378_100011216363 [0,1,0,0,0,0|2,1,0]=4 4965 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011218378 [0,1,0,0,0,0|1,1,0]=3 4966 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011218378_100011214914 [0,1,0,0,0,0|1,1,0]=3 4967 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100011218378 [0,1,0,0,0,0|1,2,0]=4 4968 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)F 62a_100011218378_100011215976 [0,1,0,0,0,0|1,2,0]=4 4969 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100011218378 [0,1,0,0,0,0|2,1,0]=4 4970 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)N 62a_100011218378_100011218065 [0,1,0,0,0,0|2,1,0]=4 4971 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)O 62a_100011218378_100012360047 [0,1,0,0,0,0|2,1,0]=4 4972 B14R1.833 CCC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011218378 [0,1,0,0,0,0|2,1,0]=4 4973 B14R1.833 CCC(O)CSc1ccc(c(c1)F)Br 62a_100000685389_100011218378 [0,1,0,0,0,0|1,2,0]=4 4974 B14R1.833 CCC(O)CSc1ccc(c(c1)F)Br 62a_100011218378_100000685389 [0,1,0,0,0,0|1,2,0]=4 4975 B14R1.833 CCC(O)CSc1ccc(c(c1)F)C 62a_100000720648_100011218378 [0,1,0,0,0,0|2,1,0]=4 4976 B14R1.833 CCC(O)CSc1ccc(c(c1)F)C 62a_100011218378_100000720648 [0,1,0,0,0,0|2,1,0]=4 4977 B14R1.833 CCC(O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100011218378 [0,1,0,0,0,0|1,1,0]=3 4978 B14R1.833 CCC(O)CSc1ccc(c(c1)F)Cl 62a_100011218378_100011216805 [0,1,0,0,0,0|1,1,0]=3 4979 B14R1.833 CCC(O)CSc1ccc(c(c1)F)F 62a_100000703953_100011218378 [0,1,0,0,0,0|1,2,0]=4 4980 B14R1.833 CCC(O)CSc1ccc(c(c1)F)F 62a_100011218378_100000703953 [0,1,0,0,0,0|1,2,0]=4 4981 B14R1.833 CCC(O)CSc1ccc(c(c1)F)N 62a_100011215594_100011218378 [0,1,0,0,0,0|2,1,0]=4 4982 B14R1.833 CCC(O)CSc1ccc(c(c1)F)N 62a_100011218378_100011215594 [0,1,0,0,0,0|2,1,0]=4 4983 B14R1.833 CCC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011218378 [0,1,0,0,0,0|2,1,0]=4 4984 B14R1.833 CCC(O)CSc1ccc(c(c1)F)O 62a_100011218378_100000185481 [0,1,0,0,0,0|2,1,0]=4 4985 B14R1.833 CCC(O)CSc1ccc(c(c1)N)Br 62a_100000750456_100011218378 [0,1,0,0,0,0|1,2,0]=4 4986 B14R1.833 CCC(O)CSc1ccc(c(c1)N)Br 62a_100011218378_100000750456 [0,1,0,0,0,0|1,2,0]=4 4987 B14R1.833 CCC(O)CSc1ccc(c(c1)N)C 62a_100000761890_100011218378 [0,1,0,0,0,0|2,1,0]=4 4988 B14R1.833 CCC(O)CSc1ccc(c(c1)N)C 62a_100011218378_100000761890 [0,1,0,0,0,0|2,1,0]=4 4989 B14R1.833 CCC(O)CSc1ccc(c(c1)N)Cl 62a_100011218378_200000761891 [0,1,0,0,0,0|1,1,0]=3 4990 B14R1.833 CCC(O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100011218378 [0,1,0,0,0,0|1,1,0]=3 4991 B14R1.833 CCC(O)CSc1ccc(c(c1)N)F 62a_100000740924_100011218378 [0,1,0,0,0,0|1,2,0]=4 4992 B14R1.833 CCC(O)CSc1ccc(c(c1)N)F 62a_100011218378_100000740924 [0,1,0,0,0,0|1,2,0]=4 4993 B14R1.833 CCC(O)CSc1ccc(c(c1)N)N 62a_100000741789_100011218378 [0,1,0,0,0,0|2,1,0]=4 4994 B14R1.833 CCC(O)CSc1ccc(c(c1)N)N 62a_100011218378_100011534411 [0,1,0,0,0,0|2,1,0]=4 4995 B14R1.833 CCC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011218378 [0,1,0,0,0,0|2,1,0]=4 4996 B14R1.833 CCC(O)CSc1ccc(c(c1)N)O 62a_100011218378_100000752626 [0,1,0,0,0,0|2,1,0]=4 4997 B14R1.833 CCC(O)CSc1ccc(c(c1)O)Br 62a_100011218378_100012356990 [0,1,0,0,0,0|1,2,0]=4 4998 B14R1.833 CCC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011218378 [0,1,0,0,0,0|1,2,0]=4 4999 B14R1.833 CCC(O)CSc1ccc(c(c1)O)C 62a_100000685420_100011218378 [0,1,0,0,0,0|2,1,0]=4 5000 B14R1.833 CCC(O)CSc1ccc(c(c1)O)C 62a_100011218378_100000685420 [0,1,0,0,0,0|2,1,0]=4 5001 B14R1.833 CCC(O)CSc1ccc(c(c1)O)Cl 62a_100011218378_100011356854 [0,1,0,0,0,0|1,1,0]=3 5002 B14R1.833 CCC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011218378 [0,1,0,0,0,0|1,1,0]=3 5003 B14R1.833 CCC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011218378 [0,1,0,0,0,0|1,2,0]=4 5004 B14R1.833 CCC(O)CSc1ccc(c(c1)O)F 62a_100011218378_100000686035 [0,1,0,0,0,0|1,2,0]=4 5005 B14R1.833 CCC(O)CSc1ccc(c(c1)O)N 62a_100000739049_100011218378 [0,1,0,0,0,0|2,1,0]=4 5006 B14R1.833 CCC(O)CSc1ccc(c(c1)O)N 62a_100011218378_100000739049 [0,1,0,0,0,0|2,1,0]=4 5007 B14R1.833 CCC(O)CSc1ccc(c(c1)O)O 62a_100011218378_100009813601 [0,1,0,0,0,0|2,1,0]=4 5008 B14R1.833 CCC(O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100011218378 [0,1,0,0,0,0|2,1,0]=4 5009 B14R1.833 CCC(O)CSc1cnc(c(c1)Br)Cl 62a_100011218378_100010172733 [0,1,0,0,0,0|2,1,0]=4 5010 B14R1.833 CCC(O)CSc1cnc(c(c1)C)Cl 62a_100009922867_100011218378 [0,1,0,0,0,0|2,1,0]=4 5011 B14R1.833 CCC(O)CSc1cnc(c(c1)C)Cl 62a_100011218378_100009922867 [0,1,0,0,0,0|2,1,0]=4 5012 B14R1.833 CCC(O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100011218378 [0,1,0,0,0,0|2,1,0]=4 5013 B14R1.833 CCC(O)CSc1cnc(c(c1)N)Cl 62a_100011218378_100009828400 [0,1,0,0,0,0|2,1,0]=4 5014 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100009816398 [0,1,0,0,0,0|3,0,0]=4 5015 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100009816398 [0,1,0,0,0,0|3,0,0]=4 5016 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100009816398 [0,1,0,0,0,0|3,0,0]=4 5017 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)C)Cl 34a_100000187808_100009816398 [0,1,0,0,0,0|3,0,0]=4 5018 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)C)Cl 7a_100000187808_100009816398 [0,1,0,0,0,0|3,0,0]=4 5019 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100009816398 [0,1,0,0,0,0|3,0,0]=4 5020 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100009816398 [0,1,0,0,0,0|3,0,0]=4 5021 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100009816398 [0,1,0,0,0,0|3,0,0]=4 5022 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)F)Cl 34a_100000739366_100009816398 [0,1,0,0,0,0|3,0,0]=4 5023 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)F)Cl 7a_100000739366_100009816398 [0,1,0,0,0,0|3,0,0]=4 5024 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)I)Cl 34a_100012360549_100009816398 [0,1,0,0,0,0|3,0,0]=4 5025 B14R1.833 CC[C@H](C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009816398 [0,1,0,0,0,0|3,0,0]=4 5026 B14R1.833 CC[C@H](C)COc1cc(c(cn1)Cl)C 34a_200000085746_100009816398 [0,1,0,0,0,0|3,0,0]=4 5027 B14R1.833 CC[C@H](C)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100009816398 [0,1,0,0,0,0|3,0,0]=4 5028 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)C 34a_100011380479_100009816398 [0,1,0,0,0,0|3,0,0]=4 5029 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)C 7a_100011380479_100009816398 [0,1,0,0,0,0|3,0,0]=4 5030 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009816398 [0,1,0,0,0,0|2,0,0]=3 5031 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100009816398 [0,1,0,0,0,0|2,0,0]=3 5032 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)F 34a_100000693481_100009816398 [0,1,0,0,0,0|2,1,0]=4 5033 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)F 7a_100000693481_100009816398 [0,1,0,0,0,0|2,1,0]=4 5034 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)I 34a_100000701344_100009816398 [0,1,0,0,0,0|2,1,0]=4 5035 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)I 7a_100000701344_100009816398 [0,1,0,0,0,0|2,1,0]=4 5036 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)N 34a_100012001276_100009816398 [0,1,0,0,0,0|3,0,0]=4 5037 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Br)N 7a_100012001276_100009816398 [0,1,0,0,0,0|3,0,0]=4 5038 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)Br 34a_100000690111_100009816398 [0,1,0,0,0,0|2,1,0]=4 5039 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)Br 7a_100000690111_100009816398 [0,1,0,0,0,0|2,1,0]=4 5040 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)C 34a_100000210932_100009816398 [0,1,0,0,0,0|3,0,0]=4 5041 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)C 7a_100000210932_100009816398 [0,1,0,0,0,0|3,0,0]=4 5042 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)Cl 34a_100000211092_100009816398 [0,1,0,0,0,0|2,0,0]=3 5043 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)Cl 7a_100000211092_100009816398 [0,1,0,0,0,0|2,0,0]=3 5044 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)F 34a_100000751312_100009816398 [0,1,0,0,0,0|2,1,0]=4 5045 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)F 7a_100000751312_100009816398 [0,1,0,0,0,0|2,1,0]=4 5046 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)I 34a_100000729255_100009816398 [0,1,0,0,0,0|2,1,0]=4 5047 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)I 7a_100000729255_100009816398 [0,1,0,0,0,0|2,1,0]=4 5048 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)N 34a_100000756630_100009816398 [0,1,0,0,0,0|3,0,0]=4 5049 B14R1.833 CC[C@H](C)COc1ccc(c(c1)C)N 7a_100000756630_100009816398 [0,1,0,0,0,0|3,0,0]=4 5050 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009816398 [0,1,0,0,0,0|2,1,0]=4 5051 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)Br 7a_100011215161_100009816398 [0,1,0,0,0,0|2,1,0]=4 5052 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)C 34a_100011265682_100009816398 [0,1,0,0,0,0|3,0,0]=4 5053 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)C 7a_100011265682_100009816398 [0,1,0,0,0,0|3,0,0]=4 5054 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009816398 [0,1,0,0,0,0|2,0,0]=3 5055 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100009816398 [0,1,0,0,0,0|2,0,0]=3 5056 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)F 34a_100000211030_100009816398 [0,1,0,0,0,0|2,1,0]=4 5057 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)F 7a_100000211030_100009816398 [0,1,0,0,0,0|2,1,0]=4 5058 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)I 34a_100000047559_100009816398 [0,1,0,0,0,0|2,1,0]=4 5059 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)I 7a_100000047559_100009816398 [0,1,0,0,0,0|2,1,0]=4 5060 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)N 34a_100011215599_100009816398 [0,1,0,0,0,0|3,0,0]=4 5061 B14R1.833 CC[C@H](C)COc1ccc(c(c1)Cl)N 7a_100011215599_100009816398 [0,1,0,0,0,0|3,0,0]=4 5062 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)Br 34a_100000755031_100009816398 [0,1,0,0,0,0|2,1,0]=4 5063 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)Br 7a_100000755031_100009816398 [0,1,0,0,0,0|2,1,0]=4 5064 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)C 34a_100000722560_100009816398 [0,1,0,0,0,0|3,0,0]=4 5065 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)C 7a_100000722560_100009816398 [0,1,0,0,0,0|3,0,0]=4 5066 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)Cl 34a_100000691581_100009816398 [0,1,0,0,0,0|2,0,0]=3 5067 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)Cl 7a_100000691581_100009816398 [0,1,0,0,0,0|2,0,0]=3 5068 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)F 34a_100000181275_100009816398 [0,1,0,0,0,0|2,1,0]=4 5069 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)F 7a_100000181275_100009816398 [0,1,0,0,0,0|2,1,0]=4 5070 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)I 34a_100009990212_100009816398 [0,1,0,0,0,0|2,1,0]=4 5071 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)I 7a_100009990212_100009816398 [0,1,0,0,0,0|2,1,0]=4 5072 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)N 34a_100000759473_100009816398 [0,1,0,0,0,0|3,0,0]=4 5073 B14R1.833 CC[C@H](C)COc1ccc(c(c1)F)N 7a_100000759473_100009816398 [0,1,0,0,0,0|3,0,0]=4 5074 B14R1.833 CC[C@H](C)COc1ccc(c(c1)I)Br 34a_100012339312_100009816398 [0,1,0,0,0,0|2,1,0]=4 5075 B14R1.833 CC[C@H](C)COc1ccc(c(c1)I)Br 7a_100012339312_100009816398 [0,1,0,0,0,0|2,1,0]=4 5076 B14R1.833 CC[C@H](C)COc1ccc(c(c1)I)Cl 34a_100000049588_100009816398 [0,1,0,0,0,0|2,0,0]=3 5077 B14R1.833 CC[C@H](C)COc1ccc(c(c1)I)Cl 7a_100000049588_100009816398 [0,1,0,0,0,0|2,0,0]=3 5078 B14R1.833 CC[C@H](C)COc1ccc(c(c1)I)N 34a_100010084370_100009816398 [0,1,0,0,0,0|3,0,0]=4 5079 B14R1.833 CC[C@H](C)COc1ccc(c(c1)I)N 7a_100010084370_100009816398 [0,1,0,0,0,0|3,0,0]=4 5080 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)Br 34a_100011999798_100009816398 [0,1,0,0,0,0|2,1,0]=4 5081 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)Br 7a_100011999798_100009816398 [0,1,0,0,0,0|2,1,0]=4 5082 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)C 34a_100011216113_100009816398 [0,1,0,0,0,0|3,0,0]=4 5083 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)C 7a_100011216113_100009816398 [0,1,0,0,0,0|3,0,0]=4 5084 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)Cl 34a_100011934297_100009816398 [0,1,0,0,0,0|2,0,0]=3 5085 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)F 34a_100012017239_100009816398 [0,1,0,0,0,0|2,1,0]=4 5086 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)F 7a_100012017239_100009816398 [0,1,0,0,0,0|2,1,0]=4 5087 B14R1.833 CC[C@H](C)COc1ccc(c(c1)N)N 34a_100025771000_100009816398 [0,1,0,0,0,0|3,0,0]=4 5088 B14R1.833 CC[C@H](C)COc1ccc(c(n1)C)Cl 34a_200009863735_100009816398 [0,1,0,0,0,0|3,0,0]=4 5089 B14R1.833 CC[C@H](C)COc1cnc(c(c1)Br)Cl 34a_100012356455_100009816398 [0,1,0,0,0,0|3,0,0]=4 5090 B14R1.833 CC[C@H](C)COc1cnc(c(c1)Br)Cl 7a_100012356455_100009816398 [0,1,0,0,0,0|3,0,0]=4 5091 B14R1.833 CC[C@H](C)COc1cnc(c(c1)C)Cl 34a_100012002680_100009816398 [0,1,0,0,0,0|3,0,0]=4 5092 B14R1.833 CC[C@H](C)COc1cnc(c(c1)C)Cl 7a_100012002680_100009816398 [0,1,0,0,0,0|3,0,0]=4 5093 B14R1.833 CC[C@H](C)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100009816398 [0,1,0,0,0,0|3,0,0]=4 5094 B14R1.833 CC[C@H](C)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100009816398 [0,1,0,0,0,0|3,0,0]=4 5095 B14R1.833 CC[C@H](C)COc1cnc(c(c1)F)Cl 34a_100000063512_100009816398 [0,1,0,0,0,0|3,0,0]=4 5096 B14R1.833 CC[C@H](C)COc1cnc(c(c1)F)Cl 7a_100000063512_100009816398 [0,1,0,0,0,0|3,0,0]=4 5097 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)C)Cl 62a_100000049509_100009816398 [0,1,0,0,0,0|2,1,0]=4 5098 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)C)Cl 62a_100009816398_100000049509 [0,1,0,0,0,0|2,1,0]=4 5099 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)F)Cl 62a_100009816398_100011216805 [0,1,0,0,0,0|2,1,0]=4 5100 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)F)Cl 62a_100011216805_100009816398 [0,1,0,0,0,0|2,1,0]=4 5101 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)N)Cl 62a_100009816398_200000761891 [0,1,0,0,0,0|2,1,0]=4 5102 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)N)Cl 62a_200000761891_100009816398 [0,1,0,0,0,0|2,1,0]=4 5103 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)O)Cl 62a_100009816398_100011356854 [0,1,0,0,0,0|2,1,0]=4 5104 B14R1.833 CC[C@H](C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100009816398 [0,1,0,0,0,0|2,1,0]=4 5105 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000059175 [0,1,0,0,0,0|2,1,0]=4 5106 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000059175 [0,1,0,0,0,0|2,1,0]=4 5107 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000059175 [0,1,0,0,0,0|2,1,0]=4 5108 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000059175 [0,1,0,0,0,0|2,0,0]=3 5109 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000059175 [0,1,0,0,0,0|2,0,0]=3 5110 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000059175 [0,1,0,0,0,0|2,1,0]=4 5111 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)F 34a_100000760356_100000059175 [0,1,0,0,0,0|2,1,0]=4 5112 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)F 7a_100000760356_100000059175 [0,1,0,0,0,0|2,1,0]=4 5113 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)I 34a_100000750458_100000059175 [0,1,0,0,0,0|2,1,0]=4 5114 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Br)O 34a_100011534360_100000059175 [0,1,0,0,0,0|3,0,0]=4 5115 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000059175 [0,1,0,0,0,0|2,1,0]=4 5116 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000059175 [0,1,0,0,0,0|2,1,0]=4 5117 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000059175 [0,1,0,0,0,0|2,1,0]=4 5118 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000059175 [0,1,0,0,0,0|2,0,0]=3 5119 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000059175 [0,1,0,0,0,0|2,0,0]=3 5120 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000059175 [0,1,0,0,0,0|2,1,0]=4 5121 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000059175 [0,1,0,0,0,0|2,1,0]=4 5122 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000059175 [0,1,0,0,0,0|2,1,0]=4 5123 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000059175 [0,1,0,0,0,0|2,1,0]=4 5124 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000059175 [0,1,0,0,0,0|3,0,0]=4 5125 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000059175 [0,1,0,0,0,0|2,1,0]=4 5126 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)Br 34a_100000759894_100000059175 [0,1,0,0,0,0|2,1,0]=4 5127 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)Br 7a_100000759894_100000059175 [0,1,0,0,0,0|2,1,0]=4 5128 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000059175 [0,1,0,0,0,0|2,0,0]=3 5129 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000059175 [0,1,0,0,0,0|2,0,0]=3 5130 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000059175 [0,1,0,0,0,0|2,0,0]=3 5131 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)F 2230a_100000210724_100000059175 [0,1,0,0,0,0|2,1,0]=4 5132 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)F 34a_100000210724_100000059175 [0,1,0,0,0,0|2,1,0]=4 5133 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)F 7a_100000210724_100000059175 [0,1,0,0,0,0|2,1,0]=4 5134 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)I 34a_100011356925_100000059175 [0,1,0,0,0,0|2,1,0]=4 5135 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)I 7a_100011356925_100000059175 [0,1,0,0,0,0|2,1,0]=4 5136 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)O 34a_100011220035_100000059175 [0,1,0,0,0,0|3,0,0]=4 5137 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)F)O 7a_100011220035_100000059175 [0,1,0,0,0,0|3,0,0]=4 5138 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)I)Br 34a_100000750459_100000059175 [0,1,0,0,0,0|2,1,0]=4 5139 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000059175 [0,1,0,0,0,0|2,0,0]=3 5140 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)I)F 34a_114828291077_100000059175 [0,1,0,0,0,0|2,1,0]=4 5141 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)I)F 7a_114828291077_100000059175 [0,1,0,0,0,0|2,1,0]=4 5142 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000059175 [0,1,0,0,0,0|2,0,0]=3 5143 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)O)F 34a_100012017398_100000059175 [0,1,0,0,0,0|2,1,0]=4 5144 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)O)F 7a_100012017398_100000059175 [0,1,0,0,0,0|2,1,0]=4 5145 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)O)O 34a_100102946323_100000059175 [0,1,0,0,0,0|3,0,0]=4 5146 B14R1.833 C[C@@H](CO)COc1cc(c(cn1)Br)Cl 34a_100010369989_100000059175 [0,1,0,0,0,0|2,1,0]=4 5147 B14R1.833 C[C@@H](CO)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100000059175 [0,1,0,0,0,0|2,0,0]=3 5148 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000059175 [0,1,0,0,0,0|1,0,0]=2 5149 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000059175 [0,1,0,0,0,0|1,0,0]=2 5150 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)F 34a_100000693481_100000059175 [0,1,0,0,0,0|1,1,0]=3 5151 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)F 7a_100000693481_100000059175 [0,1,0,0,0,0|1,1,0]=3 5152 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)I 34a_100000701344_100000059175 [0,1,0,0,0,0|1,1,0]=3 5153 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)I 7a_100000701344_100000059175 [0,1,0,0,0,0|1,1,0]=3 5154 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)N 34a_100012001276_100000059175 [0,1,0,0,0,0|2,0,0]=3 5155 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Br)N 7a_100012001276_100000059175 [0,1,0,0,0,0|2,0,0]=3 5156 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000059175 [0,1,0,0,0,0|1,1,0]=3 5157 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000059175 [0,1,0,0,0,0|1,1,0]=3 5158 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000059175 [0,1,0,0,0,0|1,0,0]=2 5159 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000059175 [0,1,0,0,0,0|1,0,0]=2 5160 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)F 34a_100000211030_100000059175 [0,1,0,0,0,0|1,1,0]=3 5161 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)F 7a_100000211030_100000059175 [0,1,0,0,0,0|1,1,0]=3 5162 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)I 34a_100000047559_100000059175 [0,1,0,0,0,0|1,1,0]=3 5163 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)I 7a_100000047559_100000059175 [0,1,0,0,0,0|1,1,0]=3 5164 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)N 34a_100011215599_100000059175 [0,1,0,0,0,0|2,0,0]=3 5165 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)Cl)N 7a_100011215599_100000059175 [0,1,0,0,0,0|2,0,0]=3 5166 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)Br 34a_100000755031_100000059175 [0,1,0,0,0,0|1,1,0]=3 5167 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)Br 7a_100000755031_100000059175 [0,1,0,0,0,0|1,1,0]=3 5168 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)Cl 34a_100000691581_100000059175 [0,1,0,0,0,0|1,0,0]=2 5169 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)Cl 7a_100000691581_100000059175 [0,1,0,0,0,0|1,0,0]=2 5170 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)F 34a_100000181275_100000059175 [0,1,0,0,0,0|1,1,0]=3 5171 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)F 7a_100000181275_100000059175 [0,1,0,0,0,0|1,1,0]=3 5172 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)I 34a_100009990212_100000059175 [0,1,0,0,0,0|1,1,0]=3 5173 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)I 7a_100009990212_100000059175 [0,1,0,0,0,0|1,1,0]=3 5174 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)N 34a_100000759473_100000059175 [0,1,0,0,0,0|2,0,0]=3 5175 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)F)N 7a_100000759473_100000059175 [0,1,0,0,0,0|2,0,0]=3 5176 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)I)Br 34a_100012339312_100000059175 [0,1,0,0,0,0|1,1,0]=3 5177 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)I)Br 7a_100012339312_100000059175 [0,1,0,0,0,0|1,1,0]=3 5178 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)I)Cl 34a_100000049588_100000059175 [0,1,0,0,0,0|1,0,0]=2 5179 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)I)Cl 7a_100000049588_100000059175 [0,1,0,0,0,0|1,0,0]=2 5180 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)I)N 34a_100010084370_100000059175 [0,1,0,0,0,0|2,0,0]=3 5181 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)I)N 7a_100010084370_100000059175 [0,1,0,0,0,0|2,0,0]=3 5182 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)N)Br 34a_100011999798_100000059175 [0,1,0,0,0,0|1,1,0]=3 5183 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)N)Br 7a_100011999798_100000059175 [0,1,0,0,0,0|1,1,0]=3 5184 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)N)Cl 34a_100011934297_100000059175 [0,1,0,0,0,0|1,0,0]=2 5185 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)N)F 34a_100012017239_100000059175 [0,1,0,0,0,0|1,1,0]=3 5186 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)N)F 7a_100012017239_100000059175 [0,1,0,0,0,0|1,1,0]=3 5187 B14R1.833 C[C@@H](CO)COc1ccc(c(c1)N)N 34a_100025771000_100000059175 [0,1,0,0,0,0|2,0,0]=3 5188 B14R1.833 C[C@@H](CO)COc1ccc(c(n1)F)Br 34a_100009879308_100000059175 [0,1,0,0,0,0|2,1,0]=4 5189 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Br)Cl 34a_100012356455_100000059175 [0,1,0,0,0,0|2,0,0]=3 5190 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000059175 [0,1,0,0,0,0|2,0,0]=3 5191 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Br)F 34a_100009817267_100000059175 [0,1,0,0,0,0|2,1,0]=4 5192 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Br)F 7a_100009817267_100000059175 [0,1,0,0,0,0|2,1,0]=4 5193 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Cl)Br 34a_100010209684_100000059175 [0,1,0,0,0,0|2,1,0]=4 5194 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Cl)Br 7a_100010209684_100000059175 [0,1,0,0,0,0|2,1,0]=4 5195 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100000059175 [0,1,0,0,0,0|2,0,0]=3 5196 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000059175 [0,1,0,0,0,0|2,0,0]=3 5197 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Cl)F 34a_100000087088_100000059175 [0,1,0,0,0,0|2,1,0]=4 5198 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)Cl)F 7a_100000087088_100000059175 [0,1,0,0,0,0|2,1,0]=4 5199 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)F)Cl 34a_100000063512_100000059175 [0,1,0,0,0,0|2,0,0]=3 5200 B14R1.833 C[C@@H](CO)COc1cnc(c(c1)F)Cl 7a_100000063512_100000059175 [0,1,0,0,0,0|2,0,0]=3 5201 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)Br 62a_100000059175_100012356285 [0,1,0,0,0,0|1,2,0]=4 5202 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000059175 [0,1,0,0,0,0|1,2,0]=4 5203 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)Cl 62a_100000059175_100012353702 [0,1,0,0,0,0|1,1,0]=3 5204 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000059175 [0,1,0,0,0,0|1,1,0]=3 5205 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)F 62a_100000059175_100012047266 [0,1,0,0,0,0|1,2,0]=4 5206 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)F 62a_100012047266_100000059175 [0,1,0,0,0,0|1,2,0]=4 5207 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)N 62a_100000059175_100000750455 [0,1,0,0,0,0|2,1,0]=4 5208 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)N 62a_100000750455_100000059175 [0,1,0,0,0,0|2,1,0]=4 5209 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)O 62a_100000059175_100012361655 [0,1,0,0,0,0|2,1,0]=4 5210 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Br)O 62a_100012361655_100000059175 [0,1,0,0,0,0|2,1,0]=4 5211 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)Br 62a_100000059175_100012047281 [0,1,0,0,0,0|1,2,0]=4 5212 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000059175 [0,1,0,0,0,0|1,2,0]=4 5213 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)Cl 62a_100000059175_100011214914 [0,1,0,0,0,0|1,1,0]=3 5214 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000059175 [0,1,0,0,0,0|1,1,0]=3 5215 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)F 62a_100000059175_100011215976 [0,1,0,0,0,0|1,2,0]=4 5216 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000059175 [0,1,0,0,0,0|1,2,0]=4 5217 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)N 62a_100000059175_100011218065 [0,1,0,0,0,0|2,1,0]=4 5218 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000059175 [0,1,0,0,0,0|2,1,0]=4 5219 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)O 62a_100000059175_100012360047 [0,1,0,0,0,0|2,1,0]=4 5220 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000059175 [0,1,0,0,0,0|2,1,0]=4 5221 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)Br 62a_100000059175_100000685389 [0,1,0,0,0,0|1,2,0]=4 5222 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)Br 62a_100000685389_100000059175 [0,1,0,0,0,0|1,2,0]=4 5223 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)Cl 62a_100000059175_100011216805 [0,1,0,0,0,0|1,1,0]=3 5224 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000059175 [0,1,0,0,0,0|1,1,0]=3 5225 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)F 62a_100000059175_100000703953 [0,1,0,0,0,0|1,2,0]=4 5226 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)F 62a_100000703953_100000059175 [0,1,0,0,0,0|1,2,0]=4 5227 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)N 62a_100000059175_100011215594 [0,1,0,0,0,0|2,1,0]=4 5228 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)N 62a_100011215594_100000059175 [0,1,0,0,0,0|2,1,0]=4 5229 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)O 62a_100000059175_100000185481 [0,1,0,0,0,0|2,1,0]=4 5230 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)F)O 62a_100000185481_100000059175 [0,1,0,0,0,0|2,1,0]=4 5231 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)Br 62a_100000059175_100000750456 [0,1,0,0,0,0|1,2,0]=4 5232 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)Br 62a_100000750456_100000059175 [0,1,0,0,0,0|1,2,0]=4 5233 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)Cl 62a_100000059175_200000761891 [0,1,0,0,0,0|1,1,0]=3 5234 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000059175 [0,1,0,0,0,0|1,1,0]=3 5235 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)F 62a_100000059175_100000740924 [0,1,0,0,0,0|1,2,0]=4 5236 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)F 62a_100000740924_100000059175 [0,1,0,0,0,0|1,2,0]=4 5237 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)N 62a_100000059175_100011534411 [0,1,0,0,0,0|2,1,0]=4 5238 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)N 62a_100000741789_100000059175 [0,1,0,0,0,0|2,1,0]=4 5239 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)O 62a_100000059175_100000752626 [0,1,0,0,0,0|2,1,0]=4 5240 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)N)O 62a_100000752626_100000059175 [0,1,0,0,0,0|2,1,0]=4 5241 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)Br 62a_100000059175_100012356990 [0,1,0,0,0,0|1,2,0]=4 5242 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)Br 62a_100012356990_100000059175 [0,1,0,0,0,0|1,2,0]=4 5243 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)Cl 62a_100000059175_100011356854 [0,1,0,0,0,0|1,1,0]=3 5244 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000059175 [0,1,0,0,0,0|1,1,0]=3 5245 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)F 62a_100000059175_100000686035 [0,1,0,0,0,0|1,2,0]=4 5246 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)F 62a_100000686035_100000059175 [0,1,0,0,0,0|1,2,0]=4 5247 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)N 62a_100000059175_100000739049 [0,1,0,0,0,0|2,1,0]=4 5248 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)N 62a_100000739049_100000059175 [0,1,0,0,0,0|2,1,0]=4 5249 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)O 62a_100000059175_100009813601 [0,1,0,0,0,0|2,1,0]=4 5250 B14R1.833 C[C@@H](CO)CSc1cnc(c(c1)Br)Cl 62a_100000059175_100010172733 [0,1,0,0,0,0|2,1,0]=4 5251 B14R1.833 C[C@@H](CO)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100000059175 [0,1,0,0,0,0|2,1,0]=4 5252 B14R1.833 C[C@@H](CO)CSc1cnc(c(c1)N)Cl 62a_100000059175_100009828400 [0,1,0,0,0,0|2,1,0]=4 5253 B14R1.833 C[C@@H](CO)CSc1cnc(c(c1)N)Cl 62a_100009828400_100000059175 [0,1,0,0,0,0|2,1,0]=4 5254 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)Br)Cl 207a_100000737577_100000693810 [0,1,0,0,0,0|3,0,0]=4 5255 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)Br)Cl 2230a_100000737577_100012353894 [0,1,0,0,0,0|3,0,0]=4 5256 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)Br)Cl 270004a_100000737577_100000693810 [0,1,0,0,0,0|3,0,0]=4 5257 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)Cl)Cl 207a_100000737577_100000188533 [0,1,0,0,0,0|3,0,0]=4 5258 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)Cl)Cl 2230a_100000737577_100000184707 [0,1,0,0,0,0|3,0,0]=4 5259 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)Cl)Cl 270004a_100000737577_100000188533 [0,1,0,0,0,0|3,0,0]=4 5260 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)F)Cl 207a_100000737577_100000745630 [0,1,0,0,0,0|3,0,0]=4 5261 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)F)Cl 2230a_100000737577_100000716492 [0,1,0,0,0,0|3,0,0]=4 5262 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)F)Cl 270004a_100000737577_100000745630 [0,1,0,0,0,0|3,0,0]=4 5263 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)I)Cl 207a_100000737577_100010209939 [0,1,0,0,0,0|3,0,0]=4 5264 B14R1.833 C[C@H](CO)NCc1ccc(c(c1)I)Cl 270004a_100000737577_100010209939 [0,1,0,0,0,0|3,0,0]=4 5265 B14R1.833 C[C@H](CO)SCc1ccc(c(c1)Br)Cl 62a_100012353894_100016084084 [0,1,0,0,0,0|3,0,0]=4 5266 B14R1.833 C[C@H](CO)SCc1ccc(c(c1)Br)Cl 62a_100016084084_100012353894 [0,1,0,0,0,0|3,0,0]=4 5267 B14R1.833 C[C@H](CO)SCc1ccc(c(c1)Cl)Cl 62a_100000184707_100016084084 [0,1,0,0,0,0|3,0,0]=4 5268 B14R1.833 C[C@H](CO)SCc1ccc(c(c1)Cl)Cl 62a_100016084084_100000184707 [0,1,0,0,0,0|3,0,0]=4 5269 B14R1.833 C[C@H](CO)SCc1ccc(c(c1)F)Cl 62a_100000716492_100016084084 [0,1,0,0,0,0|3,0,0]=4 5270 B14R1.833 C[C@H](CO)SCc1ccc(c(c1)F)Cl 62a_100016084084_100000716492 [0,1,0,0,0,0|3,0,0]=4 5271 B14R1.833 Cc1cc(ccc1Br)NCC(O)CO 2230a_100000210723_100011219619 [0,1,0,0,0,0|1,1,0]=3 5272 B14R1.833 Cc1cc(ccc1Br)NCC(O)CO 34a_100000210723_100011219619 [0,1,0,0,0,0|1,1,0]=3 5273 B14R1.833 Cc1cc(ccc1Br)NCC(O)CO 7a_100000210723_100011219619 [0,1,0,0,0,0|1,1,0]=3 5274 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](C)CO 2230a_100000210723_100000059175 [0,1,0,0,0,0|2,1,0]=4 5275 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](C)CO 34a_100000210723_100000059175 [0,1,0,0,0,0|2,1,0]=4 5276 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](C)CO 7a_100000210723_100000059175 [0,1,0,0,0,0|2,1,0]=4 5277 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](O)CF 2230a_100000210723_100015614560 [0,1,0,0,0,0|2,1,0]=4 5278 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](O)CF 34a_100000210723_100015614560 [0,1,0,0,0,0|2,1,0]=4 5279 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](O)CF 7a_100000210723_100015614560 [0,1,0,0,0,0|2,1,0]=4 5280 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](O)CO 2230a_100000210723_100009815848 [0,1,0,0,0,0|1,1,0]=3 5281 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](O)CO 34a_100000210723_100009815848 [0,1,0,0,0,0|1,1,0]=3 5282 B14R1.833 Cc1cc(ccc1Br)NC[C@@H](O)CO 7a_100000210723_100009815848 [0,1,0,0,0,0|1,1,0]=3 5283 B14R1.833 Cc1cc(ccc1Br)OCC(O)CO 34a_100000690111_100011219619 [0,1,0,0,0,0|0,1,0]=2 5284 B14R1.833 Cc1cc(ccc1Br)OCC(O)CO 7a_100000690111_100011219619 [0,1,0,0,0,0|0,1,0]=2 5285 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](C)CO 34a_100000690111_100000059175 [0,1,0,0,0,0|1,1,0]=3 5286 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](C)CO 7a_100000690111_100000059175 [0,1,0,0,0,0|1,1,0]=3 5287 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](O)CF 34a_100000690111_100015614560 [0,1,0,0,0,0|1,1,0]=3 5288 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](O)CF 7a_100000690111_100015614560 [0,1,0,0,0,0|1,1,0]=3 5289 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](O)CO 34a_100000690111_100009815848 [0,1,0,0,0,0|0,1,0]=2 5290 B14R1.833 Cc1cc(ccc1Br)OC[C@@H](O)CO 7a_100000690111_100009815848 [0,1,0,0,0,0|0,1,0]=2 5291 B14R1.833 Cc1cc(ccc1Br)SCC(O)CO 62a_100009813585_100011219619 [0,1,0,0,0,0|0,2,0]=3 5292 B14R1.833 Cc1cc(ccc1Br)SCC(O)CO 62a_100011219619_100009813585 [0,1,0,0,0,0|0,2,0]=3 5293 B14R1.833 Cc1cc(ccc1Br)SC[C@@H](C)CO 62a_100000059175_100009813585 [0,1,0,0,0,0|1,2,0]=4 5294 B14R1.833 Cc1cc(ccc1Br)SC[C@@H](C)CO 62a_100009813585_100000059175 [0,1,0,0,0,0|1,2,0]=4 5295 B14R1.833 Cc1cc(ccc1Br)SC[C@@H](O)CF 62a_100009813585_100015614560 [0,1,0,0,0,0|1,2,0]=4 5296 B14R1.833 Cc1cc(ccc1Br)SC[C@@H](O)CF 62a_100015614560_100009813585 [0,1,0,0,0,0|1,2,0]=4 5297 B14R1.833 Cc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009813585_100009815848 [0,1,0,0,0,0|0,2,0]=3 5298 B14R1.833 Cc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100009813585 [0,1,0,0,0,0|0,2,0]=3 5299 B14R1.833 Cc1cc(ccc1Cl)CN[C@H](C)CO 207a_100000737577_100000698814 [0,1,0,0,0,0|3,0,0]=4 5300 B14R1.833 Cc1cc(ccc1Cl)CN[C@H](C)CO 2230a_100000737577_100012184735 [0,1,0,0,0,0|3,0,0]=4 5301 B14R1.833 Cc1cc(ccc1Cl)CN[C@H](C)CO 270004a_100000737577_100000698814 [0,1,0,0,0,0|3,0,0]=4 5302 B14R1.833 Cc1cc(ccc1Cl)CSC(C)CO 62a_100012180447_100012184735 [0,1,0,0,0,0|3,0,0]=4 5303 B14R1.833 Cc1cc(ccc1Cl)CS[C@H](C)CO 62a_100012184735_100016084084 [0,1,0,0,0,0|3,0,0]=4 5304 B14R1.833 Cc1cc(ccc1Cl)CS[C@H](C)CO 62a_100016084084_100012184735 [0,1,0,0,0,0|3,0,0]=4 5305 B14R1.833 Cc1cc(ccc1Cl)NCC(O)CO 2230a_100000187808_100011219619 [0,1,0,0,0,0|1,0,0]=2 5306 B14R1.833 Cc1cc(ccc1Cl)NCC(O)CO 34a_100000187808_100011219619 [0,1,0,0,0,0|1,0,0]=2 5307 B14R1.833 Cc1cc(ccc1Cl)NCC(O)CO 7a_100000187808_100011219619 [0,1,0,0,0,0|1,0,0]=2 5308 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](C)CO 2230a_100000187808_100000059175 [0,1,0,0,0,0|2,0,0]=3 5309 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](C)CO 34a_100000187808_100000059175 [0,1,0,0,0,0|2,0,0]=3 5310 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](C)CO 7a_100000187808_100000059175 [0,1,0,0,0,0|2,0,0]=3 5311 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](O)CF 2230a_100000187808_100015614560 [0,1,0,0,0,0|2,0,0]=3 5312 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](O)CF 34a_100000187808_100015614560 [0,1,0,0,0,0|2,0,0]=3 5313 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](O)CF 7a_100000187808_100015614560 [0,1,0,0,0,0|2,0,0]=3 5314 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](O)CO 2230a_100000187808_100009815848 [0,1,0,0,0,0|1,0,0]=2 5315 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](O)CO 34a_100000187808_100009815848 [0,1,0,0,0,0|1,0,0]=2 5316 B14R1.833 Cc1cc(ccc1Cl)NC[C@@H](O)CO 7a_100000187808_100009815848 [0,1,0,0,0,0|1,0,0]=2 5317 B14R1.833 Cc1cc(ccc1Cl)OCC(=O)CF 1458a_100000182483_100015361967 [0,1,0,0,0,0|1,0,2]=4 5318 B14R1.833 Cc1cc(ccc1Cl)OCC(O)CO 34a_100000211092_100011219619 [0,1,0,0,0,0|0,0,0]=1 5319 B14R1.833 Cc1cc(ccc1Cl)OCC(O)CO 7a_100000211092_100011219619 [0,1,0,0,0,0|0,0,0]=1 5320 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](C)CO 34a_100000211092_100000059175 [0,1,0,0,0,0|1,0,0]=2 5321 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](C)CO 7a_100000211092_100000059175 [0,1,0,0,0,0|1,0,0]=2 5322 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](O)CF 34a_100000211092_100015614560 [0,1,0,0,0,0|1,0,0]=2 5323 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](O)CF 7a_100000211092_100015614560 [0,1,0,0,0,0|1,0,0]=2 5324 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](O)CO 34a_100000211092_100009815848 [0,1,0,0,0,0|0,0,0]=1 5325 B14R1.833 Cc1cc(ccc1Cl)OC[C@@H](O)CO 7a_100000211092_100009815848 [0,1,0,0,0,0|0,0,0]=1 5326 B14R1.833 Cc1cc(ccc1Cl)SCC(O)CO 62a_100000049509_100011219619 [0,1,0,0,0,0|0,1,0]=2 5327 B14R1.833 Cc1cc(ccc1Cl)SCC(O)CO 62a_100011219619_100000049509 [0,1,0,0,0,0|0,1,0]=2 5328 B14R1.833 Cc1cc(ccc1Cl)SC[C@@H](C)CO 62a_100000049509_100000059175 [0,1,0,0,0,0|1,1,0]=3 5329 B14R1.833 Cc1cc(ccc1Cl)SC[C@@H](C)CO 62a_100000059175_100000049509 [0,1,0,0,0,0|1,1,0]=3 5330 B14R1.833 Cc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100000049509_100015614560 [0,1,0,0,0,0|1,1,0]=3 5331 B14R1.833 Cc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100015614560_100000049509 [0,1,0,0,0,0|1,1,0]=3 5332 B14R1.833 Cc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100000049509_100009815848 [0,1,0,0,0,0|0,1,0]=2 5333 B14R1.833 Cc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100009815848_100000049509 [0,1,0,0,0,0|0,1,0]=2 5334 B14R1.833 Cc1cc(ccc1F)NCC(O)CO 2230a_100000750164_100011219619 [0,1,0,0,0,0|1,1,0]=3 5335 B14R1.833 Cc1cc(ccc1F)NCC(O)CO 34a_100000750164_100011219619 [0,1,0,0,0,0|1,1,0]=3 5336 B14R1.833 Cc1cc(ccc1F)NCC(O)CO 7a_100000750164_100011219619 [0,1,0,0,0,0|1,1,0]=3 5337 B14R1.833 Cc1cc(ccc1F)NC[C@@H](C)CO 2230a_100000750164_100000059175 [0,1,0,0,0,0|2,1,0]=4 5338 B14R1.833 Cc1cc(ccc1F)NC[C@@H](C)CO 34a_100000750164_100000059175 [0,1,0,0,0,0|2,1,0]=4 5339 B14R1.833 Cc1cc(ccc1F)NC[C@@H](C)CO 7a_100000750164_100000059175 [0,1,0,0,0,0|2,1,0]=4 5340 B14R1.833 Cc1cc(ccc1F)NC[C@@H](O)CF 2230a_100000750164_100015614560 [0,1,0,0,0,0|2,1,0]=4 5341 B14R1.833 Cc1cc(ccc1F)NC[C@@H](O)CF 34a_100000750164_100015614560 [0,1,0,0,0,0|2,1,0]=4 5342 B14R1.833 Cc1cc(ccc1F)NC[C@@H](O)CF 7a_100000750164_100015614560 [0,1,0,0,0,0|2,1,0]=4 5343 B14R1.833 Cc1cc(ccc1F)NC[C@@H](O)CO 2230a_100000750164_100009815848 [0,1,0,0,0,0|1,1,0]=3 5344 B14R1.833 Cc1cc(ccc1F)NC[C@@H](O)CO 34a_100000750164_100009815848 [0,1,0,0,0,0|1,1,0]=3 5345 B14R1.833 Cc1cc(ccc1F)NC[C@@H](O)CO 7a_100000750164_100009815848 [0,1,0,0,0,0|1,1,0]=3 5346 B14R1.833 Cc1cc(ccc1F)OCC(O)CO 34a_100000751312_100011219619 [0,1,0,0,0,0|0,1,0]=2 5347 B14R1.833 Cc1cc(ccc1F)OCC(O)CO 7a_100000751312_100011219619 [0,1,0,0,0,0|0,1,0]=2 5348 B14R1.833 Cc1cc(ccc1F)OC[C@@H](C)CO 34a_100000751312_100000059175 [0,1,0,0,0,0|1,1,0]=3 5349 B14R1.833 Cc1cc(ccc1F)OC[C@@H](C)CO 7a_100000751312_100000059175 [0,1,0,0,0,0|1,1,0]=3 5350 B14R1.833 Cc1cc(ccc1F)OC[C@@H](O)CF 34a_100000751312_100015614560 [0,1,0,0,0,0|1,1,0]=3 5351 B14R1.833 Cc1cc(ccc1F)OC[C@@H](O)CF 7a_100000751312_100015614560 [0,1,0,0,0,0|1,1,0]=3 5352 B14R1.833 Cc1cc(ccc1F)OC[C@@H](O)CO 34a_100000751312_100009815848 [0,1,0,0,0,0|0,1,0]=2 5353 B14R1.833 Cc1cc(ccc1F)OC[C@@H](O)CO 7a_100000751312_100009815848 [0,1,0,0,0,0|0,1,0]=2 5354 B14R1.833 Cc1cc(ccc1F)SCC(O)CO 62a_100011218330_100011219619 [0,1,0,0,0,0|0,2,0]=3 5355 B14R1.833 Cc1cc(ccc1F)SCC(O)CO 62a_100011219619_100011218330 [0,1,0,0,0,0|0,2,0]=3 5356 B14R1.833 Cc1cc(ccc1F)SC[C@@H](C)CO 62a_100000059175_100011218330 [0,1,0,0,0,0|1,2,0]=4 5357 B14R1.833 Cc1cc(ccc1F)SC[C@@H](C)CO 62a_100011218330_100000059175 [0,1,0,0,0,0|1,2,0]=4 5358 B14R1.833 Cc1cc(ccc1F)SC[C@@H](O)CF 62a_100011218330_100015614560 [0,1,0,0,0,0|1,2,0]=4 5359 B14R1.833 Cc1cc(ccc1F)SC[C@@H](O)CF 62a_100015614560_100011218330 [0,1,0,0,0,0|1,2,0]=4 5360 B14R1.833 Cc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100011218330 [0,1,0,0,0,0|0,2,0]=3 5361 B14R1.833 Cc1cc(ccc1F)SC[C@@H](O)CO 62a_100011218330_100009815848 [0,1,0,0,0,0|0,2,0]=3 5362 B14R1.833 Cc1cc(ccc1I)NCC(O)CO 34a_100000198070_100011219619 [0,1,0,0,0,0|1,1,0]=3 5363 B14R1.833 Cc1cc(ccc1I)NCC(O)CO 7a_100000198070_100011219619 [0,1,0,0,0,0|1,1,0]=3 5364 B14R1.833 Cc1cc(ccc1I)NC[C@@H](C)CO 34a_100000198070_100000059175 [0,1,0,0,0,0|2,1,0]=4 5365 B14R1.833 Cc1cc(ccc1I)NC[C@@H](C)CO 7a_100000198070_100000059175 [0,1,0,0,0,0|2,1,0]=4 5366 B14R1.833 Cc1cc(ccc1I)NC[C@@H](O)CF 34a_100000198070_100015614560 [0,1,0,0,0,0|2,1,0]=4 5367 B14R1.833 Cc1cc(ccc1I)NC[C@@H](O)CF 7a_100000198070_100015614560 [0,1,0,0,0,0|2,1,0]=4 5368 B14R1.833 Cc1cc(ccc1I)NC[C@@H](O)CO 34a_100000198070_100009815848 [0,1,0,0,0,0|1,1,0]=3 5369 B14R1.833 Cc1cc(ccc1I)NC[C@@H](O)CO 7a_100000198070_100009815848 [0,1,0,0,0,0|1,1,0]=3 5370 B14R1.833 Cc1cc(ccc1I)OCC(O)CO 34a_100000729255_100011219619 [0,1,0,0,0,0|0,1,0]=2 5371 B14R1.833 Cc1cc(ccc1I)OCC(O)CO 7a_100000729255_100011219619 [0,1,0,0,0,0|0,1,0]=2 5372 B14R1.833 Cc1cc(ccc1I)OC[C@@H](C)CO 34a_100000729255_100000059175 [0,1,0,0,0,0|1,1,0]=3 5373 B14R1.833 Cc1cc(ccc1I)OC[C@@H](C)CO 7a_100000729255_100000059175 [0,1,0,0,0,0|1,1,0]=3 5374 B14R1.833 Cc1cc(ccc1I)OC[C@@H](O)CF 34a_100000729255_100015614560 [0,1,0,0,0,0|1,1,0]=3 5375 B14R1.833 Cc1cc(ccc1I)OC[C@@H](O)CF 7a_100000729255_100015614560 [0,1,0,0,0,0|1,1,0]=3 5376 B14R1.833 Cc1cc(ccc1I)OC[C@@H](O)CO 34a_100000729255_100009815848 [0,1,0,0,0,0|0,1,0]=2 5377 B14R1.833 Cc1cc(ccc1I)OC[C@@H](O)CO 7a_100000729255_100009815848 [0,1,0,0,0,0|0,1,0]=2 5378 B14R1.833 Cc1cc(ccc1N)OCC(O)CO 34a_100000756630_100011219619 [0,1,0,0,0,0|1,0,0]=2 5379 B14R1.833 Cc1cc(ccc1N)OCC(O)CO 7a_100000756630_100011219619 [0,1,0,0,0,0|1,0,0]=2 5380 B14R1.833 Cc1cc(ccc1N)OC[C@@H](C)CO 34a_100000756630_100000059175 [0,1,0,0,0,0|2,0,0]=3 5381 B14R1.833 Cc1cc(ccc1N)OC[C@@H](C)CO 7a_100000756630_100000059175 [0,1,0,0,0,0|2,0,0]=3 5382 B14R1.833 Cc1cc(ccc1N)OC[C@@H](O)CF 34a_100000756630_100015614560 [0,1,0,0,0,0|2,0,0]=3 5383 B14R1.833 Cc1cc(ccc1N)OC[C@@H](O)CF 7a_100000756630_100015614560 [0,1,0,0,0,0|2,0,0]=3 5384 B14R1.833 Cc1cc(ccc1N)OC[C@@H](O)CO 34a_100000756630_100009815848 [0,1,0,0,0,0|1,0,0]=2 5385 B14R1.833 Cc1cc(ccc1N)OC[C@@H](O)CO 7a_100000756630_100009815848 [0,1,0,0,0,0|1,0,0]=2 5386 B14R1.833 Cc1cc(ccc1N)SCC(O)CO 62a_100000211769_100011219619 [0,1,0,0,0,0|1,1,0]=3 5387 B14R1.833 Cc1cc(ccc1N)SCC(O)CO 62a_100011219619_100000211769 [0,1,0,0,0,0|1,1,0]=3 5388 B14R1.833 Cc1cc(ccc1N)SC[C@@H](C)CO 62a_100000059175_100000211769 [0,1,0,0,0,0|2,1,0]=4 5389 B14R1.833 Cc1cc(ccc1N)SC[C@@H](C)CO 62a_100000211769_100000059175 [0,1,0,0,0,0|2,1,0]=4 5390 B14R1.833 Cc1cc(ccc1N)SC[C@@H](O)CF 62a_100000211769_100015614560 [0,1,0,0,0,0|2,1,0]=4 5391 B14R1.833 Cc1cc(ccc1N)SC[C@@H](O)CF 62a_100015614560_100000211769 [0,1,0,0,0,0|2,1,0]=4 5392 B14R1.833 Cc1cc(ccc1N)SC[C@@H](O)CO 62a_100000211769_100009815848 [0,1,0,0,0,0|1,1,0]=3 5393 B14R1.833 Cc1cc(ccc1N)SC[C@@H](O)CO 62a_100009815848_100000211769 [0,1,0,0,0,0|1,1,0]=3 5394 B14R1.833 Cc1cc(ccc1O)NCC(O)CO 34a_100011218179_100011219619 [0,1,0,0,0,0|2,0,0]=3 5395 B14R1.833 Cc1cc(ccc1O)NCC(O)CO 7a_100011218179_100011219619 [0,1,0,0,0,0|2,0,0]=3 5396 B14R1.833 Cc1cc(ccc1O)NC[C@@H](C)CO 34a_100011218179_100000059175 [0,1,0,0,0,0|3,0,0]=4 5397 B14R1.833 Cc1cc(ccc1O)NC[C@@H](C)CO 7a_100011218179_100000059175 [0,1,0,0,0,0|3,0,0]=4 5398 B14R1.833 Cc1cc(ccc1O)NC[C@@H](O)CF 34a_100011218179_100015614560 [0,1,0,0,0,0|3,0,0]=4 5399 B14R1.833 Cc1cc(ccc1O)NC[C@@H](O)CF 7a_100011218179_100015614560 [0,1,0,0,0,0|3,0,0]=4 5400 B14R1.833 Cc1cc(ccc1O)NC[C@@H](O)CO 34a_100011218179_100009815848 [0,1,0,0,0,0|2,0,0]=3 5401 B14R1.833 Cc1cc(ccc1O)NC[C@@H](O)CO 7a_100011218179_100009815848 [0,1,0,0,0,0|2,0,0]=3 5402 B14R1.833 Cc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000186361 [0,1,0,0,0,0|1,1,0]=3 5403 B14R1.833 Cc1cc(ccc1O)SC[C@@H](C)CO 62a_100000059175_100000186361 [0,1,0,0,0,0|2,1,0]=4 5404 B14R1.833 Cc1cc(ccc1O)SC[C@@H](O)CF 62a_100015614560_100000186361 [0,1,0,0,0,0|2,1,0]=4 5405 B14R1.833 Cc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000186361 [0,1,0,0,0,0|1,1,0]=3 5406 B14R1.833 Cc1cc(cnc1Br)OCC(O)CO 34a_100012000486_100011219619 [0,1,0,0,0,0|1,1,0]=3 5407 B14R1.833 Cc1cc(cnc1Br)OCC(O)CO 7a_100012000486_100011219619 [0,1,0,0,0,0|1,1,0]=3 5408 B14R1.833 Cc1cc(cnc1Br)OC[C@@H](C)CO 34a_100012000486_100000059175 [0,1,0,0,0,0|2,1,0]=4 5409 B14R1.833 Cc1cc(cnc1Br)OC[C@@H](C)CO 7a_100012000486_100000059175 [0,1,0,0,0,0|2,1,0]=4 5410 B14R1.833 Cc1cc(cnc1Br)OC[C@@H](O)CF 34a_100012000486_100015614560 [0,1,0,0,0,0|2,1,0]=4 5411 B14R1.833 Cc1cc(cnc1Br)OC[C@@H](O)CF 7a_100012000486_100015614560 [0,1,0,0,0,0|2,1,0]=4 5412 B14R1.833 Cc1cc(cnc1Br)OC[C@@H](O)CO 34a_100012000486_100009815848 [0,1,0,0,0,0|1,1,0]=3 5413 B14R1.833 Cc1cc(cnc1Br)OC[C@@H](O)CO 7a_100012000486_100009815848 [0,1,0,0,0,0|1,1,0]=3 5414 B14R1.833 Cc1cc(cnc1Br)SCC(O)CO 62a_100009816107_100011219619 [0,1,0,0,0,0|1,2,0]=4 5415 B14R1.833 Cc1cc(cnc1Br)SCC(O)CO 62a_100011219619_100009816107 [0,1,0,0,0,0|1,2,0]=4 5416 B14R1.833 Cc1cc(cnc1Br)SC[C@@H](O)CO 62a_100009815848_100009816107 [0,1,0,0,0,0|1,2,0]=4 5417 B14R1.833 Cc1cc(cnc1Br)SC[C@@H](O)CO 62a_100009816107_100009815848 [0,1,0,0,0,0|1,2,0]=4 5418 B14R1.833 Cc1cc(cnc1C)OCC(O)CO 34a_100009854398_100011219619 [0,1,0,0,0,0|2,0,0]=3 5419 B14R1.833 Cc1cc(cnc1C)OCC(O)CO 7a_100009854398_100011219619 [0,1,0,0,0,0|2,0,0]=3 5420 B14R1.833 Cc1cc(cnc1C)OC[C@@H](C)CO 34a_100009854398_100000059175 [0,1,0,0,0,0|3,0,0]=4 5421 B14R1.833 Cc1cc(cnc1C)OC[C@@H](C)CO 7a_100009854398_100000059175 [0,1,0,0,0,0|3,0,0]=4 5422 B14R1.833 Cc1cc(cnc1C)OC[C@@H](O)CF 34a_100009854398_100015614560 [0,1,0,0,0,0|3,0,0]=4 5423 B14R1.833 Cc1cc(cnc1C)OC[C@@H](O)CF 7a_100009854398_100015614560 [0,1,0,0,0,0|3,0,0]=4 5424 B14R1.833 Cc1cc(cnc1C)OC[C@@H](O)CO 34a_100009854398_100009815848 [0,1,0,0,0,0|2,0,0]=3 5425 B14R1.833 Cc1cc(cnc1C)OC[C@@H](O)CO 7a_100009854398_100009815848 [0,1,0,0,0,0|2,0,0]=3 5426 B14R1.833 Cc1cc(cnc1C)SCC(O)CO 62a_100000697892_100011219619 [0,1,0,0,0,0|2,1,0]=4 5427 B14R1.833 Cc1cc(cnc1C)SCC(O)CO 62a_100011219619_100000697892 [0,1,0,0,0,0|2,1,0]=4 5428 B14R1.833 Cc1cc(cnc1C)SC[C@@H](O)CO 62a_100000697892_100009815848 [0,1,0,0,0,0|2,1,0]=4 5429 B14R1.833 Cc1cc(cnc1C)SC[C@@H](O)CO 62a_100009815848_100000697892 [0,1,0,0,0,0|2,1,0]=4 5430 B14R1.833 Cc1cc(cnc1Cl)OCC(O)CO 34a_100012002680_100011219619 [0,1,0,0,0,0|1,0,0]=2 5431 B14R1.833 Cc1cc(cnc1Cl)OCC(O)CO 7a_100012002680_100011219619 [0,1,0,0,0,0|1,0,0]=2 5432 B14R1.833 Cc1cc(cnc1Cl)OC[C@@H](C)CO 34a_100012002680_100000059175 [0,1,0,0,0,0|2,0,0]=3 5433 B14R1.833 Cc1cc(cnc1Cl)OC[C@@H](C)CO 7a_100012002680_100000059175 [0,1,0,0,0,0|2,0,0]=3 5434 B14R1.833 Cc1cc(cnc1Cl)OC[C@@H](O)CF 34a_100012002680_100015614560 [0,1,0,0,0,0|2,0,0]=3 5435 B14R1.833 Cc1cc(cnc1Cl)OC[C@@H](O)CF 7a_100012002680_100015614560 [0,1,0,0,0,0|2,0,0]=3 5436 B14R1.833 Cc1cc(cnc1Cl)OC[C@@H](O)CO 34a_100012002680_100009815848 [0,1,0,0,0,0|1,0,0]=2 5437 B14R1.833 Cc1cc(cnc1Cl)OC[C@@H](O)CO 7a_100012002680_100009815848 [0,1,0,0,0,0|1,0,0]=2 5438 B14R1.833 Cc1cc(cnc1Cl)SCC(O)CO 62a_100009922867_100011219619 [0,1,0,0,0,0|1,1,0]=3 5439 B14R1.833 Cc1cc(cnc1Cl)SCC(O)CO 62a_100011219619_100009922867 [0,1,0,0,0,0|1,1,0]=3 5440 B14R1.833 Cc1cc(cnc1Cl)SC[C@@H](C)CO 62a_100000059175_100009922867 [0,1,0,0,0,0|2,1,0]=4 5441 B14R1.833 Cc1cc(cnc1Cl)SC[C@@H](C)CO 62a_100009922867_100000059175 [0,1,0,0,0,0|2,1,0]=4 5442 B14R1.833 Cc1cc(cnc1Cl)SC[C@@H](O)CF 62a_100009922867_100015614560 [0,1,0,0,0,0|2,1,0]=4 5443 B14R1.833 Cc1cc(cnc1Cl)SC[C@@H](O)CF 62a_100015614560_100009922867 [0,1,0,0,0,0|2,1,0]=4 5444 B14R1.833 Cc1cc(cnc1Cl)SC[C@@H](O)CO 62a_100009815848_100009922867 [0,1,0,0,0,0|1,1,0]=3 5445 B14R1.833 Cc1cc(cnc1Cl)SC[C@@H](O)CO 62a_100009922867_100009815848 [0,1,0,0,0,0|1,1,0]=3 5446 B14R1.833 Cc1cc(cnc1F)OCC(O)CO 34a_100000094615_100011219619 [0,1,0,0,0,0|1,1,0]=3 5447 B14R1.833 Cc1cc(cnc1F)OCC(O)CO 7a_100000094615_100011219619 [0,1,0,0,0,0|1,1,0]=3 5448 B14R1.833 Cc1cc(cnc1F)OC[C@@H](C)CO 34a_100000094615_100000059175 [0,1,0,0,0,0|2,1,0]=4 5449 B14R1.833 Cc1cc(cnc1F)OC[C@@H](C)CO 7a_100000094615_100000059175 [0,1,0,0,0,0|2,1,0]=4 5450 B14R1.833 Cc1cc(cnc1F)OC[C@@H](O)CF 34a_100000094615_100015614560 [0,1,0,0,0,0|2,1,0]=4 5451 B14R1.833 Cc1cc(cnc1F)OC[C@@H](O)CF 7a_100000094615_100015614560 [0,1,0,0,0,0|2,1,0]=4 5452 B14R1.833 Cc1cc(cnc1F)OC[C@@H](O)CO 34a_100000094615_100009815848 [0,1,0,0,0,0|1,1,0]=3 5453 B14R1.833 Cc1cc(cnc1F)OC[C@@H](O)CO 7a_100000094615_100009815848 [0,1,0,0,0,0|1,1,0]=3 5454 B14R1.833 Cc1cc(cnc1F)SCC(O)CO 62a_100000709442_100011219619 [0,1,0,0,0,0|1,2,0]=4 5455 B14R1.833 Cc1cc(cnc1F)SCC(O)CO 62a_100011219619_100000709442 [0,1,0,0,0,0|1,2,0]=4 5456 B14R1.833 Cc1cc(cnc1F)SC[C@@H](O)CO 62a_100000709442_100009815848 [0,1,0,0,0,0|1,2,0]=4 5457 B14R1.833 Cc1cc(cnc1F)SC[C@@H](O)CO 62a_100009815848_100000709442 [0,1,0,0,0,0|1,2,0]=4 5458 B14R1.833 Cc1cc(cnc1N)SCC(O)CO 62a_100000684428_100011219619 [0,1,0,0,0,0|2,1,0]=4 5459 B14R1.833 Cc1cc(cnc1N)SCC(O)CO 62a_100011219619_100000684428 [0,1,0,0,0,0|2,1,0]=4 5460 B14R1.833 Cc1cc(cnc1N)SC[C@@H](O)CO 62a_100000684428_100009815848 [0,1,0,0,0,0|2,1,0]=4 5461 B14R1.833 Cc1cc(cnc1N)SC[C@@H](O)CO 62a_100009815848_100000684428 [0,1,0,0,0,0|2,1,0]=4 5462 B14R1.833 Cc1cc(cnc1O)SCC(O)CO 62a_100000685391_100011219619 [0,1,0,0,0,0|2,1,0]=4 5463 B14R1.833 Cc1cc(cnc1O)SCC(O)CO 62a_100011219619_100000685391 [0,1,0,0,0,0|2,1,0]=4 5464 B14R1.833 Cc1cc(cnc1O)SC[C@@H](O)CO 62a_100000685391_100009815848 [0,1,0,0,0,0|2,1,0]=4 5465 B14R1.833 Cc1cc(cnc1O)SC[C@@H](O)CO 62a_100009815848_100000685391 [0,1,0,0,0,0|2,1,0]=4 5466 B14R1.833 Cc1cc(ncc1Br)OCC(O)CO 34a_100000766222_100011219619 [0,1,0,0,0,0|1,1,0]=3 5467 B14R1.833 Cc1cc(ncc1Br)OC[C@@H](C)CO 34a_100000766222_100000059175 [0,1,0,0,0,0|2,1,0]=4 5468 B14R1.833 Cc1cc(ncc1Br)OC[C@@H](O)CF 34a_100000766222_100015614560 [0,1,0,0,0,0|2,1,0]=4 5469 B14R1.833 Cc1cc(ncc1Br)OC[C@@H](O)CO 34a_100000766222_100009815848 [0,1,0,0,0,0|1,1,0]=3 5470 B14R1.833 Cc1cc(ncc1Br)SCC(O)CO 62a_100011219619_100012356354 [0,1,0,0,0,0|1,2,0]=4 5471 B14R1.833 Cc1cc(ncc1Br)SCC(O)CO 62a_100012356354_100011219619 [0,1,0,0,0,0|1,2,0]=4 5472 B14R1.833 Cc1cc(ncc1Br)SC[C@@H](O)CO 62a_100009815848_100012356354 [0,1,0,0,0,0|1,2,0]=4 5473 B14R1.833 Cc1cc(ncc1Br)SC[C@@H](O)CO 62a_100012356354_100009815848 [0,1,0,0,0,0|1,2,0]=4 5474 B14R1.833 Cc1cc(ncc1Cl)OCC(O)CO 34a_200000085746_100011219619 [0,1,0,0,0,0|1,0,0]=2 5475 B14R1.833 Cc1cc(ncc1Cl)OC[C@@H](C)CO 34a_200000085746_100000059175 [0,1,0,0,0,0|2,0,0]=3 5476 B14R1.833 Cc1cc(ncc1Cl)OC[C@@H](O)CF 34a_200000085746_100015614560 [0,1,0,0,0,0|2,0,0]=3 5477 B14R1.833 Cc1cc(ncc1Cl)OC[C@@H](O)CO 34a_200000085746_100009815848 [0,1,0,0,0,0|1,0,0]=2 5478 B14R1.833 Cc1cc(ncc1F)SCC(O)CO 62a_100009818257_100011219619 [0,1,0,0,0,0|1,2,0]=4 5479 B14R1.833 Cc1cc(ncc1F)SCC(O)CO 62a_100011219619_100009818257 [0,1,0,0,0,0|1,2,0]=4 5480 B14R1.833 Cc1cc(ncc1F)SC[C@@H](O)CO 62a_100009815848_100009818257 [0,1,0,0,0,0|1,2,0]=4 5481 B14R1.833 Cc1cc(ncc1F)SC[C@@H](O)CO 62a_100009818257_100009815848 [0,1,0,0,0,0|1,2,0]=4 5482 B14R1.833 Cc1cc(ncc1N)SCC(O)CO 62a_100000067204_100011219619 [0,1,0,0,0,0|2,1,0]=4 5483 B14R1.833 Cc1cc(ncc1N)SCC(O)CO 62a_100011219619_100000067204 [0,1,0,0,0,0|2,1,0]=4 5484 B14R1.833 Cc1cc(ncc1N)SC[C@@H](O)CO 62a_100000067204_100009815848 [0,1,0,0,0,0|2,1,0]=4 5485 B14R1.833 Cc1cc(ncc1N)SC[C@@H](O)CO 62a_100009815848_100000067204 [0,1,0,0,0,0|2,1,0]=4 5486 B14R1.833 Cc1cc(ncc1O)SCC(O)CO 62a_100011219619_100000692680 [0,1,0,0,0,0|2,1,0]=4 5487 B14R1.833 Cc1cc(ncc1O)SC[C@@H](O)CO 62a_100009815848_100000692680 [0,1,0,0,0,0|2,1,0]=4 5488 B14R1.833 Cc1ccc(c[n+]1[O-])SCC(O)CO 62a_100011219619_100000703231 [0,1,0,0,0,0|2,1,0]=4 5489 B14R1.833 Cc1ccc(c[n+]1[O-])SC[C@@H](O)CO 62a_100009815848_100000703231 [0,1,0,0,0,0|2,1,0]=4 5490 B14R1.833 Cc1ccc(cc1Br)NCC(O)CO 2230a_100000736455_100011219619 [0,1,0,0,0,0|2,0,0]=3 5491 B14R1.833 Cc1ccc(cc1Br)NCC(O)CO 34a_100000736455_100011219619 [0,1,0,0,0,0|2,0,0]=3 5492 B14R1.833 Cc1ccc(cc1Br)NCC(O)CO 7a_100000736455_100011219619 [0,1,0,0,0,0|2,0,0]=3 5493 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](C)CO 2230a_100000736455_100000059175 [0,1,0,0,0,0|3,0,0]=4 5494 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](C)CO 34a_100000736455_100000059175 [0,1,0,0,0,0|3,0,0]=4 5495 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](C)CO 7a_100000736455_100000059175 [0,1,0,0,0,0|3,0,0]=4 5496 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](O)CF 2230a_100000736455_100015614560 [0,1,0,0,0,0|3,0,0]=4 5497 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](O)CF 34a_100000736455_100015614560 [0,1,0,0,0,0|3,0,0]=4 5498 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](O)CF 7a_100000736455_100015614560 [0,1,0,0,0,0|3,0,0]=4 5499 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](O)CO 2230a_100000736455_100009815848 [0,1,0,0,0,0|2,0,0]=3 5500 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](O)CO 34a_100000736455_100009815848 [0,1,0,0,0,0|2,0,0]=3 5501 B14R1.833 Cc1ccc(cc1Br)NC[C@@H](O)CO 7a_100000736455_100009815848 [0,1,0,0,0,0|2,0,0]=3 5502 B14R1.833 Cc1ccc(cc1Br)OCC(O)CO 34a_100011380479_100011219619 [0,1,0,0,0,0|1,0,0]=2 5503 B14R1.833 Cc1ccc(cc1Br)OCC(O)CO 7a_100011380479_100011219619 [0,1,0,0,0,0|1,0,0]=2 5504 B14R1.833 Cc1ccc(cc1Br)OC[C@@H](C)CO 34a_100011380479_100000059175 [0,1,0,0,0,0|2,0,0]=3 5505 B14R1.833 Cc1ccc(cc1Br)OC[C@@H](C)CO 7a_100011380479_100000059175 [0,1,0,0,0,0|2,0,0]=3 5506 B14R1.833 Cc1ccc(cc1Br)OC[C@@H](O)CF 34a_100011380479_100015614560 [0,1,0,0,0,0|2,0,0]=3 5507 B14R1.833 Cc1ccc(cc1Br)OC[C@@H](O)CF 7a_100011380479_100015614560 [0,1,0,0,0,0|2,0,0]=3 5508 B14R1.833 Cc1ccc(cc1Br)OC[C@@H](O)CO 34a_100011380479_100009815848 [0,1,0,0,0,0|1,0,0]=2 5509 B14R1.833 Cc1ccc(cc1Br)OC[C@@H](O)CO 7a_100011380479_100009815848 [0,1,0,0,0,0|1,0,0]=2 5510 B14R1.833 Cc1ccc(cc1Br)SCC(O)CO 62a_100011219619_100011847877 [0,1,0,0,0,0|1,1,0]=3 5511 B14R1.833 Cc1ccc(cc1Br)SCC(O)CO 62a_100011847877_100011219619 [0,1,0,0,0,0|1,1,0]=3 5512 B14R1.833 Cc1ccc(cc1Br)SC[C@@H](C)CO 62a_100000059175_100011847877 [0,1,0,0,0,0|2,1,0]=4 5513 B14R1.833 Cc1ccc(cc1Br)SC[C@@H](C)CO 62a_100011847877_100000059175 [0,1,0,0,0,0|2,1,0]=4 5514 B14R1.833 Cc1ccc(cc1Br)SC[C@@H](O)CF 62a_100011847877_100015614560 [0,1,0,0,0,0|2,1,0]=4 5515 B14R1.833 Cc1ccc(cc1Br)SC[C@@H](O)CF 62a_100015614560_100011847877 [0,1,0,0,0,0|2,1,0]=4 5516 B14R1.833 Cc1ccc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100011847877 [0,1,0,0,0,0|1,1,0]=3 5517 B14R1.833 Cc1ccc(cc1Br)SC[C@@H](O)CO 62a_100011847877_100009815848 [0,1,0,0,0,0|1,1,0]=3 5518 B14R1.833 Cc1ccc(cc1C)NCC(O)CO 2230a_100000724040_100011219619 [0,1,0,0,0,0|2,0,0]=3 5519 B14R1.833 Cc1ccc(cc1C)NCC(O)CO 34a_100000724040_100011219619 [0,1,0,0,0,0|2,0,0]=3 5520 B14R1.833 Cc1ccc(cc1C)NCC(O)CO 7a_100000724040_100011219619 [0,1,0,0,0,0|2,0,0]=3 5521 B14R1.833 Cc1ccc(cc1C)NC[C@@H](C)CO 2230a_100000724040_100000059175 [0,1,0,0,0,0|3,0,0]=4 5522 B14R1.833 Cc1ccc(cc1C)NC[C@@H](C)CO 34a_100000724040_100000059175 [0,1,0,0,0,0|3,0,0]=4 5523 B14R1.833 Cc1ccc(cc1C)NC[C@@H](C)CO 7a_100000724040_100000059175 [0,1,0,0,0,0|3,0,0]=4 5524 B14R1.833 Cc1ccc(cc1C)NC[C@@H](O)CF 2230a_100000724040_100015614560 [0,1,0,0,0,0|3,0,0]=4 5525 B14R1.833 Cc1ccc(cc1C)NC[C@@H](O)CF 34a_100000724040_100015614560 [0,1,0,0,0,0|3,0,0]=4 5526 B14R1.833 Cc1ccc(cc1C)NC[C@@H](O)CF 7a_100000724040_100015614560 [0,1,0,0,0,0|3,0,0]=4 5527 B14R1.833 Cc1ccc(cc1C)NC[C@@H](O)CO 2230a_100000724040_100009815848 [0,1,0,0,0,0|2,0,0]=3 5528 B14R1.833 Cc1ccc(cc1C)NC[C@@H](O)CO 34a_100000724040_100009815848 [0,1,0,0,0,0|2,0,0]=3 5529 B14R1.833 Cc1ccc(cc1C)NC[C@@H](O)CO 7a_100000724040_100009815848 [0,1,0,0,0,0|2,0,0]=3 5530 B14R1.833 Cc1ccc(cc1C)OCC(O)CO 34a_100000210932_100011219619 [0,1,0,0,0,0|1,0,0]=2 5531 B14R1.833 Cc1ccc(cc1C)OCC(O)CO 7a_100000210932_100011219619 [0,1,0,0,0,0|1,0,0]=2 5532 B14R1.833 Cc1ccc(cc1C)OC[C@@H](C)CO 34a_100000210932_100000059175 [0,1,0,0,0,0|2,0,0]=3 5533 B14R1.833 Cc1ccc(cc1C)OC[C@@H](C)CO 7a_100000210932_100000059175 [0,1,0,0,0,0|2,0,0]=3 5534 B14R1.833 Cc1ccc(cc1C)OC[C@@H](O)CF 34a_100000210932_100015614560 [0,1,0,0,0,0|2,0,0]=3 5535 B14R1.833 Cc1ccc(cc1C)OC[C@@H](O)CF 7a_100000210932_100015614560 [0,1,0,0,0,0|2,0,0]=3 5536 B14R1.833 Cc1ccc(cc1C)OC[C@@H](O)CO 34a_100000210932_100009815848 [0,1,0,0,0,0|1,0,0]=2 5537 B14R1.833 Cc1ccc(cc1C)OC[C@@H](O)CO 7a_100000210932_100009815848 [0,1,0,0,0,0|1,0,0]=2 5538 B14R1.833 Cc1ccc(cc1C)SCC(O)CO 62a_100011215607_100011219619 [0,1,0,0,0,0|1,1,0]=3 5539 B14R1.833 Cc1ccc(cc1C)SCC(O)CO 62a_100011219619_100011215607 [0,1,0,0,0,0|1,1,0]=3 5540 B14R1.833 Cc1ccc(cc1C)SC[C@@H](C)CO 62a_100000059175_100011215607 [0,1,0,0,0,0|2,1,0]=4 5541 B14R1.833 Cc1ccc(cc1C)SC[C@@H](C)CO 62a_100011215607_100000059175 [0,1,0,0,0,0|2,1,0]=4 5542 B14R1.833 Cc1ccc(cc1C)SC[C@@H](O)CF 62a_100011215607_100015614560 [0,1,0,0,0,0|2,1,0]=4 5543 B14R1.833 Cc1ccc(cc1C)SC[C@@H](O)CF 62a_100015614560_100011215607 [0,1,0,0,0,0|2,1,0]=4 5544 B14R1.833 Cc1ccc(cc1C)SC[C@@H](O)CO 62a_100009815848_100011215607 [0,1,0,0,0,0|1,1,0]=3 5545 B14R1.833 Cc1ccc(cc1C)SC[C@@H](O)CO 62a_100011215607_100009815848 [0,1,0,0,0,0|1,1,0]=3 5546 B14R1.833 Cc1ccc(cc1Cl)NCC(O)CO 2230a_100000188892_100011219619 [0,1,0,0,0,0|2,0,0]=3 5547 B14R1.833 Cc1ccc(cc1Cl)NCC(O)CO 34a_100000188892_100011219619 [0,1,0,0,0,0|2,0,0]=3 5548 B14R1.833 Cc1ccc(cc1Cl)NCC(O)CO 7a_100000188892_100011219619 [0,1,0,0,0,0|2,0,0]=3 5549 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](C)CO 2230a_100000188892_100000059175 [0,1,0,0,0,0|3,0,0]=4 5550 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](C)CO 34a_100000188892_100000059175 [0,1,0,0,0,0|3,0,0]=4 5551 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](C)CO 7a_100000188892_100000059175 [0,1,0,0,0,0|3,0,0]=4 5552 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](O)CF 2230a_100000188892_100015614560 [0,1,0,0,0,0|3,0,0]=4 5553 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](O)CF 34a_100000188892_100015614560 [0,1,0,0,0,0|3,0,0]=4 5554 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](O)CF 7a_100000188892_100015614560 [0,1,0,0,0,0|3,0,0]=4 5555 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](O)CO 2230a_100000188892_100009815848 [0,1,0,0,0,0|2,0,0]=3 5556 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](O)CO 34a_100000188892_100009815848 [0,1,0,0,0,0|2,0,0]=3 5557 B14R1.833 Cc1ccc(cc1Cl)NC[C@@H](O)CO 7a_100000188892_100009815848 [0,1,0,0,0,0|2,0,0]=3 5558 B14R1.833 Cc1ccc(cc1Cl)OCC(O)CO 34a_100011265682_100011219619 [0,1,0,0,0,0|1,0,0]=2 5559 B14R1.833 Cc1ccc(cc1Cl)OCC(O)CO 7a_100011265682_100011219619 [0,1,0,0,0,0|1,0,0]=2 5560 B14R1.833 Cc1ccc(cc1Cl)OC[C@@H](C)CO 34a_100011265682_100000059175 [0,1,0,0,0,0|2,0,0]=3 5561 B14R1.833 Cc1ccc(cc1Cl)OC[C@@H](C)CO 7a_100011265682_100000059175 [0,1,0,0,0,0|2,0,0]=3 5562 B14R1.833 Cc1ccc(cc1Cl)OC[C@@H](O)CF 34a_100011265682_100015614560 [0,1,0,0,0,0|2,0,0]=3 5563 B14R1.833 Cc1ccc(cc1Cl)OC[C@@H](O)CF 7a_100011265682_100015614560 [0,1,0,0,0,0|2,0,0]=3 5564 B14R1.833 Cc1ccc(cc1Cl)OC[C@@H](O)CO 34a_100011265682_100009815848 [0,1,0,0,0,0|1,0,0]=2 5565 B14R1.833 Cc1ccc(cc1Cl)OC[C@@H](O)CO 7a_100011265682_100009815848 [0,1,0,0,0,0|1,0,0]=2 5566 B14R1.833 Cc1ccc(cc1Cl)SCC(O)CO 62a_100011216363_100011219619 [0,1,0,0,0,0|1,1,0]=3 5567 B14R1.833 Cc1ccc(cc1Cl)SCC(O)CO 62a_100011219619_100011216363 [0,1,0,0,0,0|1,1,0]=3 5568 B14R1.833 Cc1ccc(cc1Cl)SC[C@@H](C)CO 62a_100000059175_100011216363 [0,1,0,0,0,0|2,1,0]=4 5569 B14R1.833 Cc1ccc(cc1Cl)SC[C@@H](C)CO 62a_100011216363_100000059175 [0,1,0,0,0,0|2,1,0]=4 5570 B14R1.833 Cc1ccc(cc1Cl)SC[C@@H](O)CF 62a_100011216363_100015614560 [0,1,0,0,0,0|2,1,0]=4 5571 B14R1.833 Cc1ccc(cc1Cl)SC[C@@H](O)CF 62a_100015614560_100011216363 [0,1,0,0,0,0|2,1,0]=4 5572 B14R1.833 Cc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100009815848_100011216363 [0,1,0,0,0,0|1,1,0]=3 5573 B14R1.833 Cc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100011216363_100009815848 [0,1,0,0,0,0|1,1,0]=3 5574 B14R1.833 Cc1ccc(cc1F)NCC(O)CO 2230a_100000210958_100011219619 [0,1,0,0,0,0|2,0,0]=3 5575 B14R1.833 Cc1ccc(cc1F)NCC(O)CO 34a_100000210958_100011219619 [0,1,0,0,0,0|2,0,0]=3 5576 B14R1.833 Cc1ccc(cc1F)NCC(O)CO 7a_100000210958_100011219619 [0,1,0,0,0,0|2,0,0]=3 5577 B14R1.833 Cc1ccc(cc1F)NC[C@@H](C)CO 2230a_100000210958_100000059175 [0,1,0,0,0,0|3,0,0]=4 5578 B14R1.833 Cc1ccc(cc1F)NC[C@@H](C)CO 34a_100000210958_100000059175 [0,1,0,0,0,0|3,0,0]=4 5579 B14R1.833 Cc1ccc(cc1F)NC[C@@H](C)CO 7a_100000210958_100000059175 [0,1,0,0,0,0|3,0,0]=4 5580 B14R1.833 Cc1ccc(cc1F)NC[C@@H](O)CF 2230a_100000210958_100015614560 [0,1,0,0,0,0|3,0,0]=4 5581 B14R1.833 Cc1ccc(cc1F)NC[C@@H](O)CF 34a_100000210958_100015614560 [0,1,0,0,0,0|3,0,0]=4 5582 B14R1.833 Cc1ccc(cc1F)NC[C@@H](O)CF 7a_100000210958_100015614560 [0,1,0,0,0,0|3,0,0]=4 5583 B14R1.833 Cc1ccc(cc1F)NC[C@@H](O)CO 2230a_100000210958_100009815848 [0,1,0,0,0,0|2,0,0]=3 5584 B14R1.833 Cc1ccc(cc1F)NC[C@@H](O)CO 34a_100000210958_100009815848 [0,1,0,0,0,0|2,0,0]=3 5585 B14R1.833 Cc1ccc(cc1F)NC[C@@H](O)CO 7a_100000210958_100009815848 [0,1,0,0,0,0|2,0,0]=3 5586 B14R1.833 Cc1ccc(cc1F)OCC(O)CO 34a_100000722560_100011219619 [0,1,0,0,0,0|1,0,0]=2 5587 B14R1.833 Cc1ccc(cc1F)OCC(O)CO 7a_100000722560_100011219619 [0,1,0,0,0,0|1,0,0]=2 5588 B14R1.833 Cc1ccc(cc1F)OC[C@@H](C)CO 34a_100000722560_100000059175 [0,1,0,0,0,0|2,0,0]=3 5589 B14R1.833 Cc1ccc(cc1F)OC[C@@H](C)CO 7a_100000722560_100000059175 [0,1,0,0,0,0|2,0,0]=3 5590 B14R1.833 Cc1ccc(cc1F)OC[C@@H](O)CF 34a_100000722560_100015614560 [0,1,0,0,0,0|2,0,0]=3 5591 B14R1.833 Cc1ccc(cc1F)OC[C@@H](O)CF 7a_100000722560_100015614560 [0,1,0,0,0,0|2,0,0]=3 5592 B14R1.833 Cc1ccc(cc1F)OC[C@@H](O)CO 34a_100000722560_100009815848 [0,1,0,0,0,0|1,0,0]=2 5593 B14R1.833 Cc1ccc(cc1F)OC[C@@H](O)CO 7a_100000722560_100009815848 [0,1,0,0,0,0|1,0,0]=2 5594 B14R1.833 Cc1ccc(cc1F)SCC(O)CO 62a_100000720648_100011219619 [0,1,0,0,0,0|1,1,0]=3 5595 B14R1.833 Cc1ccc(cc1F)SCC(O)CO 62a_100011219619_100000720648 [0,1,0,0,0,0|1,1,0]=3 5596 B14R1.833 Cc1ccc(cc1F)SC[C@@H](C)CO 62a_100000059175_100000720648 [0,1,0,0,0,0|2,1,0]=4 5597 B14R1.833 Cc1ccc(cc1F)SC[C@@H](C)CO 62a_100000720648_100000059175 [0,1,0,0,0,0|2,1,0]=4 5598 B14R1.833 Cc1ccc(cc1F)SC[C@@H](O)CF 62a_100000720648_100015614560 [0,1,0,0,0,0|2,1,0]=4 5599 B14R1.833 Cc1ccc(cc1F)SC[C@@H](O)CF 62a_100015614560_100000720648 [0,1,0,0,0,0|2,1,0]=4 5600 B14R1.833 Cc1ccc(cc1F)SC[C@@H](O)CO 62a_100000720648_100009815848 [0,1,0,0,0,0|1,1,0]=3 5601 B14R1.833 Cc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000720648 [0,1,0,0,0,0|1,1,0]=3 5602 B14R1.833 Cc1ccc(cc1I)NCC(O)CO 34a_100000184131_100011219619 [0,1,0,0,0,0|2,0,0]=3 5603 B14R1.833 Cc1ccc(cc1I)NCC(O)CO 7a_100000184131_100011219619 [0,1,0,0,0,0|2,0,0]=3 5604 B14R1.833 Cc1ccc(cc1I)NC[C@@H](C)CO 34a_100000184131_100000059175 [0,1,0,0,0,0|3,0,0]=4 5605 B14R1.833 Cc1ccc(cc1I)NC[C@@H](C)CO 7a_100000184131_100000059175 [0,1,0,0,0,0|3,0,0]=4 5606 B14R1.833 Cc1ccc(cc1I)NC[C@@H](O)CF 34a_100000184131_100015614560 [0,1,0,0,0,0|3,0,0]=4 5607 B14R1.833 Cc1ccc(cc1I)NC[C@@H](O)CF 7a_100000184131_100015614560 [0,1,0,0,0,0|3,0,0]=4 5608 B14R1.833 Cc1ccc(cc1I)NC[C@@H](O)CO 34a_100000184131_100009815848 [0,1,0,0,0,0|2,0,0]=3 5609 B14R1.833 Cc1ccc(cc1I)NC[C@@H](O)CO 7a_100000184131_100009815848 [0,1,0,0,0,0|2,0,0]=3 5610 B14R1.833 Cc1ccc(cc1N)OCC(O)CO 34a_100011216113_100011219619 [0,1,0,0,0,0|1,0,0]=2 5611 B14R1.833 Cc1ccc(cc1N)OCC(O)CO 7a_100011216113_100011219619 [0,1,0,0,0,0|1,0,0]=2 5612 B14R1.833 Cc1ccc(cc1N)OC[C@@H](C)CO 34a_100011216113_100000059175 [0,1,0,0,0,0|2,0,0]=3 5613 B14R1.833 Cc1ccc(cc1N)OC[C@@H](C)CO 7a_100011216113_100000059175 [0,1,0,0,0,0|2,0,0]=3 5614 B14R1.833 Cc1ccc(cc1N)OC[C@@H](O)CF 34a_100011216113_100015614560 [0,1,0,0,0,0|2,0,0]=3 5615 B14R1.833 Cc1ccc(cc1N)OC[C@@H](O)CF 7a_100011216113_100015614560 [0,1,0,0,0,0|2,0,0]=3 5616 B14R1.833 Cc1ccc(cc1N)OC[C@@H](O)CO 34a_100011216113_100009815848 [0,1,0,0,0,0|1,0,0]=2 5617 B14R1.833 Cc1ccc(cc1N)OC[C@@H](O)CO 7a_100011216113_100009815848 [0,1,0,0,0,0|1,0,0]=2 5618 B14R1.833 Cc1ccc(cc1N)SCC(O)CO 62a_100000761890_100011219619 [0,1,0,0,0,0|1,1,0]=3 5619 B14R1.833 Cc1ccc(cc1N)SCC(O)CO 62a_100011219619_100000761890 [0,1,0,0,0,0|1,1,0]=3 5620 B14R1.833 Cc1ccc(cc1N)SC[C@@H](C)CO 62a_100000059175_100000761890 [0,1,0,0,0,0|2,1,0]=4 5621 B14R1.833 Cc1ccc(cc1N)SC[C@@H](C)CO 62a_100000761890_100000059175 [0,1,0,0,0,0|2,1,0]=4 5622 B14R1.833 Cc1ccc(cc1N)SC[C@@H](O)CF 62a_100000761890_100015614560 [0,1,0,0,0,0|2,1,0]=4 5623 B14R1.833 Cc1ccc(cc1N)SC[C@@H](O)CF 62a_100015614560_100000761890 [0,1,0,0,0,0|2,1,0]=4 5624 B14R1.833 Cc1ccc(cc1N)SC[C@@H](O)CO 62a_100000761890_100009815848 [0,1,0,0,0,0|1,1,0]=3 5625 B14R1.833 Cc1ccc(cc1N)SC[C@@H](O)CO 62a_100009815848_100000761890 [0,1,0,0,0,0|1,1,0]=3 5626 B14R1.833 Cc1ccc(cc1O)NCC(O)CO 34a_100000759471_100011219619 [0,1,0,0,0,0|2,0,0]=3 5627 B14R1.833 Cc1ccc(cc1O)NCC(O)CO 7a_100000759471_100011219619 [0,1,0,0,0,0|2,0,0]=3 5628 B14R1.833 Cc1ccc(cc1O)NC[C@@H](C)CO 34a_100000759471_100000059175 [0,1,0,0,0,0|3,0,0]=4 5629 B14R1.833 Cc1ccc(cc1O)NC[C@@H](C)CO 7a_100000759471_100000059175 [0,1,0,0,0,0|3,0,0]=4 5630 B14R1.833 Cc1ccc(cc1O)NC[C@@H](O)CF 34a_100000759471_100015614560 [0,1,0,0,0,0|3,0,0]=4 5631 B14R1.833 Cc1ccc(cc1O)NC[C@@H](O)CF 7a_100000759471_100015614560 [0,1,0,0,0,0|3,0,0]=4 5632 B14R1.833 Cc1ccc(cc1O)NC[C@@H](O)CO 34a_100000759471_100009815848 [0,1,0,0,0,0|2,0,0]=3 5633 B14R1.833 Cc1ccc(cc1O)NC[C@@H](O)CO 7a_100000759471_100009815848 [0,1,0,0,0,0|2,0,0]=3 5634 B14R1.833 Cc1ccc(cc1O)SCC(O)CO 62a_100000685420_100011219619 [0,1,0,0,0,0|1,1,0]=3 5635 B14R1.833 Cc1ccc(cc1O)SCC(O)CO 62a_100011219619_100000685420 [0,1,0,0,0,0|1,1,0]=3 5636 B14R1.833 Cc1ccc(cc1O)SC[C@@H](C)CO 62a_100000059175_100000685420 [0,1,0,0,0,0|2,1,0]=4 5637 B14R1.833 Cc1ccc(cc1O)SC[C@@H](C)CO 62a_100000685420_100000059175 [0,1,0,0,0,0|2,1,0]=4 5638 B14R1.833 Cc1ccc(cc1O)SC[C@@H](O)CF 62a_100000685420_100015614560 [0,1,0,0,0,0|2,1,0]=4 5639 B14R1.833 Cc1ccc(cc1O)SC[C@@H](O)CF 62a_100015614560_100000685420 [0,1,0,0,0,0|2,1,0]=4 5640 B14R1.833 Cc1ccc(cc1O)SC[C@@H](O)CO 62a_100000685420_100009815848 [0,1,0,0,0,0|1,1,0]=3 5641 B14R1.833 Cc1ccc(cc1O)SC[C@@H](O)CO 62a_100009815848_100000685420 [0,1,0,0,0,0|1,1,0]=3 5642 B14R1.833 Cc1ccc(nc1C)SCC(O)CO 62a_100000103781_100011219619 [0,1,0,0,0,0|2,1,0]=4 5643 B14R1.833 Cc1ccc(nc1C)SCC(O)CO 62a_100011219619_100000103781 [0,1,0,0,0,0|2,1,0]=4 5644 B14R1.833 Cc1ccc(nc1C)SC[C@@H](O)CO 62a_100000103781_100009815848 [0,1,0,0,0,0|2,1,0]=4 5645 B14R1.833 Cc1ccc(nc1C)SC[C@@H](O)CO 62a_100009815848_100000103781 [0,1,0,0,0,0|2,1,0]=4 5646 B14R1.833 Cc1ccc(nc1N)SCC(O)CO 62a_100009857032_100011219619 [0,1,0,0,0,0|2,1,0]=4 5647 B14R1.833 Cc1ccc(nc1N)SCC(O)CO 62a_100011219619_100009857032 [0,1,0,0,0,0|2,1,0]=4 5648 B14R1.833 Cc1ccc(nc1N)SC[C@@H](O)CO 62a_100009815848_100009857032 [0,1,0,0,0,0|2,1,0]=4 5649 B14R1.833 Cc1ccc(nc1N)SC[C@@H](O)CO 62a_100009857032_100009815848 [0,1,0,0,0,0|2,1,0]=4 5650 B14R1.833 Cc1cnc(cc1Br)OCC(O)CO 34a_100009831917_100011219619 [0,1,0,0,0,0|2,0,0]=3 5651 B14R1.833 Cc1cnc(cc1Br)OC[C@@H](C)CO 34a_100009831917_100000059175 [0,1,0,0,0,0|3,0,0]=4 5652 B14R1.833 Cc1cnc(cc1Br)OC[C@@H](O)CF 34a_100009831917_100015614560 [0,1,0,0,0,0|3,0,0]=4 5653 B14R1.833 Cc1cnc(cc1Br)OC[C@@H](O)CO 34a_100009831917_100009815848 [0,1,0,0,0,0|2,0,0]=3 5654 B14R1.833 Cc1cnc(cc1C)SCC(O)CO 62a_100009850809_100011219619 [0,1,0,0,0,0|2,1,0]=4 5655 B14R1.833 Cc1cnc(cc1C)SCC(O)CO 62a_100011219619_100009850809 [0,1,0,0,0,0|2,1,0]=4 5656 B14R1.833 Cc1cnc(cc1C)SC[C@@H](O)CO 62a_100009815848_100009850809 [0,1,0,0,0,0|2,1,0]=4 5657 B14R1.833 Cc1cnc(cc1C)SC[C@@H](O)CO 62a_100009850809_100009815848 [0,1,0,0,0,0|2,1,0]=4 5658 B14R1.833 Cc1cnc(cc1F)NC[C@H](O)CO 27a_100020644852_100009841206 [0,1,0,0,0,0|3,0,0]=4 5659 B14R1.833 Cc1cnc(cc1F)SCC(O)CO 62a_100009841206_100011219619 [0,1,0,0,0,0|2,1,0]=4 5660 B14R1.833 Cc1cnc(cc1F)SCC(O)CO 62a_100011219619_100009841206 [0,1,0,0,0,0|2,1,0]=4 5661 B14R1.833 Cc1cnc(cc1F)SC[C@@H](O)CO 62a_100009815848_100009841206 [0,1,0,0,0,0|2,1,0]=4 5662 B14R1.833 Cc1cnc(cc1F)SC[C@@H](O)CO 62a_100009841206_100009815848 [0,1,0,0,0,0|2,1,0]=4 5663 B14R1.833 Cc1cnc(cc1N)SCC(O)CO 62a_100000126663_100011219619 [0,1,0,0,0,0|2,1,0]=4 5664 B14R1.833 Cc1cnc(cc1N)SCC(O)CO 62a_100011219619_100000126663 [0,1,0,0,0,0|2,1,0]=4 5665 B14R1.833 Cc1cnc(cc1N)SC[C@@H](O)CO 62a_100000126663_100009815848 [0,1,0,0,0,0|2,1,0]=4 5666 B14R1.833 Cc1cnc(cc1N)SC[C@@H](O)CO 62a_100009815848_100000126663 [0,1,0,0,0,0|2,1,0]=4 5667 B14R1.833 Cc1cnc(cc1O)SCC(O)CO 62a_100000704368_100011219619 [0,1,0,0,0,0|2,1,0]=4 5668 B14R1.833 Cc1cnc(cc1O)SCC(O)CO 62a_100011219619_100000704368 [0,1,0,0,0,0|2,1,0]=4 5669 B14R1.833 Cc1cnc(cc1O)SC[C@@H](O)CO 62a_100000704368_100009815848 [0,1,0,0,0,0|2,1,0]=4 5670 B14R1.833 Cc1cnc(cc1O)SC[C@@H](O)CO 62a_100009815848_100000704368 [0,1,0,0,0,0|2,1,0]=4 5671 B14R1.833 Cc1nc(ccc1Br)OCC(O)CO 34a_100000691680_100011219619 [0,1,0,0,0,0|1,1,0]=3 5672 B14R1.833 Cc1nc(ccc1Br)OC[C@@H](C)CO 34a_100000691680_100000059175 [0,1,0,0,0,0|2,1,0]=4 5673 B14R1.833 Cc1nc(ccc1Br)OC[C@@H](O)CF 34a_100000691680_100015614560 [0,1,0,0,0,0|2,1,0]=4 5674 B14R1.833 Cc1nc(ccc1Br)OC[C@@H](O)CO 34a_100000691680_100009815848 [0,1,0,0,0,0|1,1,0]=3 5675 B14R1.833 Cc1nc(ccc1Br)SCC(O)CO 62a_100011219619_100012360386 [0,1,0,0,0,0|1,2,0]=4 5676 B14R1.833 Cc1nc(ccc1Br)SCC(O)CO 62a_100012360386_100011219619 [0,1,0,0,0,0|1,2,0]=4 5677 B14R1.833 Cc1nc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100012360386 [0,1,0,0,0,0|1,2,0]=4 5678 B14R1.833 Cc1nc(ccc1Br)SC[C@@H](O)CO 62a_100012360386_100009815848 [0,1,0,0,0,0|1,2,0]=4 5679 B14R1.833 Cc1nc(ccc1Cl)OCC(O)CO 34a_200009863735_100011219619 [0,1,0,0,0,0|1,0,0]=2 5680 B14R1.833 Cc1nc(ccc1Cl)OC[C@@H](C)CO 34a_200009863735_100000059175 [0,1,0,0,0,0|2,0,0]=3 5681 B14R1.833 Cc1nc(ccc1Cl)OC[C@@H](O)CF 34a_200009863735_100015614560 [0,1,0,0,0,0|2,0,0]=3 5682 B14R1.833 Cc1nc(ccc1Cl)OC[C@@H](O)CO 34a_200009863735_100009815848 [0,1,0,0,0,0|1,0,0]=2 5683 B14R1.833 Cc1nc(ccc1F)SCC(O)CO 62a_100009814307_100011219619 [0,1,0,0,0,0|1,2,0]=4 5684 B14R1.833 Cc1nc(ccc1F)SCC(O)CO 62a_100011219619_100009814307 [0,1,0,0,0,0|1,2,0]=4 5685 B14R1.833 Cc1nc(ccc1F)SC[C@@H](O)CO 62a_100009814307_100009815848 [0,1,0,0,0,0|1,2,0]=4 5686 B14R1.833 Cc1nc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100009814307 [0,1,0,0,0,0|1,2,0]=4 5687 B14R1.833 Cc1nc(ccc1N)SCC(O)CO 62a_100000720120_100011219619 [0,1,0,0,0,0|2,1,0]=4 5688 B14R1.833 Cc1nc(ccc1N)SCC(O)CO 62a_100011219619_100000720120 [0,1,0,0,0,0|2,1,0]=4 5689 B14R1.833 Cc1nc(ccc1N)SC[C@@H](O)CO 62a_100000720120_100009815848 [0,1,0,0,0,0|2,1,0]=4 5690 B14R1.833 Cc1nc(ccc1N)SC[C@@H](O)CO 62a_100009815848_100000720120 [0,1,0,0,0,0|2,1,0]=4 5691 B14R1.833 Cc1nc(ccc1O)SCC(O)CO 62a_100010233687_100011219619 [0,1,0,0,0,0|2,1,0]=4 5692 B14R1.833 Cc1nc(ccc1O)SCC(O)CO 62a_100011219619_100010233687 [0,1,0,0,0,0|2,1,0]=4 5693 B14R1.833 Cc1nc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100010233687 [0,1,0,0,0,0|2,1,0]=4 5694 B14R1.833 Cc1nc(ccc1O)SC[C@@H](O)CO 62a_100010233687_100009815848 [0,1,0,0,0,0|2,1,0]=4 5695 B14R1.833 Cc1nc(ncc1Cl)NC[C@H](O)CO 27a_100020644852_100010174973 [0,1,0,0,0,0|3,0,0]=4 5696 B14R1.833 Cc1nc(ncc1Cl)SCC(O)CO 62a_100010174973_100011219619 [0,1,0,0,0,0|2,1,0]=4 5697 B14R1.833 Cc1nc(ncc1Cl)SCC(O)CO 62a_100011219619_100010174973 [0,1,0,0,0,0|2,1,0]=4 5698 B14R1.833 Cc1nc(ncc1Cl)SC[C@@H](O)CO 62a_100009815848_100010174973 [0,1,0,0,0,0|2,1,0]=4 5699 B14R1.833 Cc1nc(ncc1Cl)SC[C@@H](O)CO 62a_100010174973_100009815848 [0,1,0,0,0,0|2,1,0]=4 5700 B14R1.833 Cc1ncc(cc1Br)OCC(O)CO 34a_100009819603_100011219619 [0,1,0,0,0,0|2,0,0]=3 5701 B14R1.833 Cc1ncc(cc1Br)OCC(O)CO 7a_100009819603_100011219619 [0,1,0,0,0,0|2,0,0]=3 5702 B14R1.833 Cc1ncc(cc1Br)OC[C@@H](C)CO 34a_100009819603_100000059175 [0,1,0,0,0,0|3,0,0]=4 5703 B14R1.833 Cc1ncc(cc1Br)OC[C@@H](C)CO 7a_100009819603_100000059175 [0,1,0,0,0,0|3,0,0]=4 5704 B14R1.833 Cc1ncc(cc1Br)OC[C@@H](O)CF 34a_100009819603_100015614560 [0,1,0,0,0,0|3,0,0]=4 5705 B14R1.833 Cc1ncc(cc1Br)OC[C@@H](O)CF 7a_100009819603_100015614560 [0,1,0,0,0,0|3,0,0]=4 5706 B14R1.833 Cc1ncc(cc1Br)OC[C@@H](O)CO 34a_100009819603_100009815848 [0,1,0,0,0,0|2,0,0]=3 5707 B14R1.833 Cc1ncc(cc1Br)OC[C@@H](O)CO 7a_100009819603_100009815848 [0,1,0,0,0,0|2,0,0]=3 5708 B14R1.833 Cc1ncc(cc1F)SCC(O)CO 62a_100009845756_100011219619 [0,1,0,0,0,0|2,1,0]=4 5709 B14R1.833 Cc1ncc(cc1F)SCC(O)CO 62a_100011219619_100009845756 [0,1,0,0,0,0|2,1,0]=4 5710 B14R1.833 Cc1ncc(cc1F)SC[C@@H](O)CO 62a_100009815848_100009845756 [0,1,0,0,0,0|2,1,0]=4 5711 B14R1.833 Cc1ncc(cc1F)SC[C@@H](O)CO 62a_100009845756_100009815848 [0,1,0,0,0,0|2,1,0]=4 5712 B14R1.833 Cc1ncc(cc1N)SCC(O)CO 62a_100011219619_100011999542 [0,1,0,0,0,0|2,1,0]=4 5713 B14R1.833 Cc1ncc(cc1N)SCC(O)CO 62a_100011999542_100011219619 [0,1,0,0,0,0|2,1,0]=4 5714 B14R1.833 Cc1ncc(cc1N)SC[C@@H](O)CO 62a_100009815848_100011999542 [0,1,0,0,0,0|2,1,0]=4 5715 B14R1.833 Cc1ncc(cc1N)SC[C@@H](O)CO 62a_100011999542_100009815848 [0,1,0,0,0,0|2,1,0]=4 5716 B14R1.833 Cc1ncc(cc1O)SCC(O)CO 62a_100009864810_100011219619 [0,1,0,0,0,0|2,1,0]=4 5717 B14R1.833 Cc1ncc(cc1O)SCC(O)CO 62a_100011219619_100009864810 [0,1,0,0,0,0|2,1,0]=4 5718 B14R1.833 Cc1ncc(cc1O)SC[C@@H](O)CO 62a_100009815848_100009864810 [0,1,0,0,0,0|2,1,0]=4 5719 B14R1.833 Cc1ncc(cc1O)SC[C@@H](O)CO 62a_100009864810_100009815848 [0,1,0,0,0,0|2,1,0]=4 5720 B14R1.833 Cc1ncc(nc1C)OCC(O)CO 34a_200000700380_100011219619 [0,1,0,0,0,0|3,0,0]=4 5721 B14R1.833 Cc1ncc(nc1C)OC[C@@H](O)CO 34a_200000700380_100009815848 [0,1,0,0,0,0|3,0,0]=4 5722 B14R1.833 Cn1cc(ccc1=O)SCC(O)CO 62a_100011219619_100011245003 [0,1,0,0,0,0|2,1,0]=4 5723 B14R1.833 Cn1cc(ccc1=O)SCC(O)CO 62a_100011245003_100011219619 [0,1,0,0,0,0|2,1,0]=4 5724 B14R1.833 Cn1cc(ccc1=O)SC[C@@H](O)CO 62a_100009815848_100011245003 [0,1,0,0,0,0|2,1,0]=4 5725 B14R1.833 Cn1cc(ccc1=O)SC[C@@H](O)CO 62a_100011245003_100009815848 [0,1,0,0,0,0|2,1,0]=4 5726 B14R1.833 Cn1ccc(cc1=O)NC[C@H](O)CO 27a_100020644852_100009820031 [0,1,0,0,0,0|3,0,0]=4 5727 B14R1.833 Cn1ccc(cc1=O)SCC(O)CO 62a_100009820031_100011219619 [0,1,0,0,0,0|2,1,0]=4 5728 B14R1.833 Cn1ccc(cc1=O)SCC(O)CO 62a_100011219619_100009820031 [0,1,0,0,0,0|2,1,0]=4 5729 B14R1.833 Cn1ccc(cc1=O)SC[C@@H](O)CO 62a_100009815848_100009820031 [0,1,0,0,0,0|2,1,0]=4 5730 B14R1.833 Cn1ccc(cc1=O)SC[C@@H](O)CO 62a_100009820031_100009815848 [0,1,0,0,0,0|2,1,0]=4 5731 B14R1.833 Nc1cc(ccc1Br)OCC(O)CO 34a_100011999798_100011219619 [0,1,0,0,0,0|0,1,0]=2 5732 B14R1.833 Nc1cc(ccc1Br)OCC(O)CO 7a_100011999798_100011219619 [0,1,0,0,0,0|0,1,0]=2 5733 B14R1.833 Nc1cc(ccc1Br)OC[C@@H](O)CF 34a_100011999798_100015614560 [0,1,0,0,0,0|1,1,0]=3 5734 B14R1.833 Nc1cc(ccc1Br)OC[C@@H](O)CF 7a_100011999798_100015614560 [0,1,0,0,0,0|1,1,0]=3 5735 B14R1.833 Nc1cc(ccc1Br)OC[C@@H](O)CO 34a_100011999798_100009815848 [0,1,0,0,0,0|0,1,0]=2 5736 B14R1.833 Nc1cc(ccc1Br)OC[C@@H](O)CO 7a_100011999798_100009815848 [0,1,0,0,0,0|0,1,0]=2 5737 B14R1.833 Nc1cc(ccc1Br)SCC(O)CO 62a_100000750456_100011219619 [0,1,0,0,0,0|0,2,0]=3 5738 B14R1.833 Nc1cc(ccc1Br)SCC(O)CO 62a_100011219619_100000750456 [0,1,0,0,0,0|0,2,0]=3 5739 B14R1.833 Nc1cc(ccc1Br)SC[C@@H](O)CF 62a_100000750456_100015614560 [0,1,0,0,0,0|1,2,0]=4 5740 B14R1.833 Nc1cc(ccc1Br)SC[C@@H](O)CF 62a_100015614560_100000750456 [0,1,0,0,0,0|1,2,0]=4 5741 B14R1.833 Nc1cc(ccc1Br)SC[C@@H](O)CO 62a_100000750456_100009815848 [0,1,0,0,0,0|0,2,0]=3 5742 B14R1.833 Nc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100000750456 [0,1,0,0,0,0|0,2,0]=3 5743 B14R1.833 Nc1cc(ccc1Cl)OCC(O)CO 34a_100011934297_100011219619 [0,1,0,0,0,0|0,0,0]=1 5744 B14R1.833 Nc1cc(ccc1Cl)OC[C@@H](O)CF 34a_100011934297_100015614560 [0,1,0,0,0,0|1,0,0]=2 5745 B14R1.833 Nc1cc(ccc1Cl)OC[C@@H](O)CO 34a_100011934297_100009815848 [0,1,0,0,0,0|0,0,0]=1 5746 B14R1.833 Nc1cc(ccc1Cl)SCC(O)CO 62a_100011219619_200000761891 [0,1,0,0,0,0|0,1,0]=2 5747 B14R1.833 Nc1cc(ccc1Cl)SCC(O)CO 62a_200000761891_100011219619 [0,1,0,0,0,0|0,1,0]=2 5748 B14R1.833 Nc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100015614560_200000761891 [0,1,0,0,0,0|1,1,0]=3 5749 B14R1.833 Nc1cc(ccc1Cl)SC[C@@H](O)CF 62a_200000761891_100015614560 [0,1,0,0,0,0|1,1,0]=3 5750 B14R1.833 Nc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100009815848_200000761891 [0,1,0,0,0,0|0,1,0]=2 5751 B14R1.833 Nc1cc(ccc1Cl)SC[C@@H](O)CO 62a_200000761891_100009815848 [0,1,0,0,0,0|0,1,0]=2 5752 B14R1.833 Nc1cc(ccc1F)OCC(O)CO 34a_100012017239_100011219619 [0,1,0,0,0,0|0,1,0]=2 5753 B14R1.833 Nc1cc(ccc1F)OCC(O)CO 7a_100012017239_100011219619 [0,1,0,0,0,0|0,1,0]=2 5754 B14R1.833 Nc1cc(ccc1F)OC[C@@H](O)CF 34a_100012017239_100015614560 [0,1,0,0,0,0|1,1,0]=3 5755 B14R1.833 Nc1cc(ccc1F)OC[C@@H](O)CF 7a_100012017239_100015614560 [0,1,0,0,0,0|1,1,0]=3 5756 B14R1.833 Nc1cc(ccc1F)OC[C@@H](O)CO 34a_100012017239_100009815848 [0,1,0,0,0,0|0,1,0]=2 5757 B14R1.833 Nc1cc(ccc1F)OC[C@@H](O)CO 7a_100012017239_100009815848 [0,1,0,0,0,0|0,1,0]=2 5758 B14R1.833 Nc1cc(ccc1F)SCC(O)CO 62a_100000740924_100011219619 [0,1,0,0,0,0|0,2,0]=3 5759 B14R1.833 Nc1cc(ccc1F)SCC(O)CO 62a_100011219619_100000740924 [0,1,0,0,0,0|0,2,0]=3 5760 B14R1.833 Nc1cc(ccc1F)SC[C@@H](O)CF 62a_100000740924_100015614560 [0,1,0,0,0,0|1,2,0]=4 5761 B14R1.833 Nc1cc(ccc1F)SC[C@@H](O)CF 62a_100015614560_100000740924 [0,1,0,0,0,0|1,2,0]=4 5762 B14R1.833 Nc1cc(ccc1F)SC[C@@H](O)CO 62a_100000740924_100009815848 [0,1,0,0,0,0|0,2,0]=3 5763 B14R1.833 Nc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100000740924 [0,1,0,0,0,0|0,2,0]=3 5764 B14R1.833 Nc1cc(ccc1O)SCC(O)CO 62a_100000752626_100011219619 [0,1,0,0,0,0|1,1,0]=3 5765 B14R1.833 Nc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000752626 [0,1,0,0,0,0|1,1,0]=3 5766 B14R1.833 Nc1cc(ccc1O)SC[C@@H](O)CF 62a_100000752626_100015614560 [0,1,0,0,0,0|2,1,0]=4 5767 B14R1.833 Nc1cc(ccc1O)SC[C@@H](O)CF 62a_100015614560_100000752626 [0,1,0,0,0,0|2,1,0]=4 5768 B14R1.833 Nc1cc(ccc1O)SC[C@@H](O)CO 62a_100000752626_100009815848 [0,1,0,0,0,0|1,1,0]=3 5769 B14R1.833 Nc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000752626 [0,1,0,0,0,0|1,1,0]=3 5770 B14R1.833 Nc1cc(cnc1Cl)SCC(O)CO 62a_100009828400_100011219619 [0,1,0,0,0,0|1,1,0]=3 5771 B14R1.833 Nc1cc(cnc1Cl)SCC(O)CO 62a_100011219619_100009828400 [0,1,0,0,0,0|1,1,0]=3 5772 B14R1.833 Nc1cc(cnc1Cl)SC[C@@H](O)CF 62a_100009828400_100015614560 [0,1,0,0,0,0|2,1,0]=4 5773 B14R1.833 Nc1cc(cnc1Cl)SC[C@@H](O)CF 62a_100015614560_100009828400 [0,1,0,0,0,0|2,1,0]=4 5774 B14R1.833 Nc1cc(cnc1Cl)SC[C@@H](O)CO 62a_100009815848_100009828400 [0,1,0,0,0,0|1,1,0]=3 5775 B14R1.833 Nc1cc(cnc1Cl)SC[C@@H](O)CO 62a_100009828400_100009815848 [0,1,0,0,0,0|1,1,0]=3 5776 B14R1.833 Nc1cc(cnc1F)SCC(O)CO 62a_100009816798_100011219619 [0,1,0,0,0,0|1,2,0]=4 5777 B14R1.833 Nc1cc(cnc1F)SCC(O)CO 62a_100011219619_100009816798 [0,1,0,0,0,0|1,2,0]=4 5778 B14R1.833 Nc1cc(cnc1F)SC[C@@H](O)CO 62a_100009815848_100009816798 [0,1,0,0,0,0|1,2,0]=4 5779 B14R1.833 Nc1cc(cnc1F)SC[C@@H](O)CO 62a_100009816798_100009815848 [0,1,0,0,0,0|1,2,0]=4 5780 B14R1.833 Nc1cc(cnc1N)SCC(O)CO 62a_100000184470_100011219619 [0,1,0,0,0,0|2,1,0]=4 5781 B14R1.833 Nc1cc(cnc1N)SCC(O)CO 62a_100011219619_100000184470 [0,1,0,0,0,0|2,1,0]=4 5782 B14R1.833 Nc1cc(cnc1N)SC[C@@H](O)CO 62a_100000184470_100009815848 [0,1,0,0,0,0|2,1,0]=4 5783 B14R1.833 Nc1cc(cnc1N)SC[C@@H](O)CO 62a_100009815848_100000184470 [0,1,0,0,0,0|2,1,0]=4 5784 B14R1.833 Nc1cc(cnc1O)SCC(O)CO 62a_100000743729_100011219619 [0,1,0,0,0,0|2,1,0]=4 5785 B14R1.833 Nc1cc(cnc1O)SCC(O)CO 62a_100011219619_100000743729 [0,1,0,0,0,0|2,1,0]=4 5786 B14R1.833 Nc1cc(cnc1O)SC[C@@H](O)CO 62a_100000743729_100009815848 [0,1,0,0,0,0|2,1,0]=4 5787 B14R1.833 Nc1cc(cnc1O)SC[C@@H](O)CO 62a_100009815848_100000743729 [0,1,0,0,0,0|2,1,0]=4 5788 B14R1.833 Nc1cc(ncc1F)SCC(O)CO 62a_100000126464_100011219619 [0,1,0,0,0,0|1,2,0]=4 5789 B14R1.833 Nc1cc(ncc1F)SCC(O)CO 62a_100011219619_100000126464 [0,1,0,0,0,0|1,2,0]=4 5790 B14R1.833 Nc1cc(ncc1F)SC[C@@H](O)CO 62a_100000126464_100009815848 [0,1,0,0,0,0|1,2,0]=4 5791 B14R1.833 Nc1cc(ncc1F)SC[C@@H](O)CO 62a_100009815848_100000126464 [0,1,0,0,0,0|1,2,0]=4 5792 B14R1.833 Nc1cc(ncc1O)SCC(O)CO 62a_100009819941_100011219619 [0,1,0,0,0,0|2,1,0]=4 5793 B14R1.833 Nc1cc(ncc1O)SCC(O)CO 62a_100011219619_100009819941 [0,1,0,0,0,0|2,1,0]=4 5794 B14R1.833 Nc1cc(ncc1O)SC[C@@H](O)CO 62a_100009815848_100009819941 [0,1,0,0,0,0|2,1,0]=4 5795 B14R1.833 Nc1cc(ncc1O)SC[C@@H](O)CO 62a_100009819941_100009815848 [0,1,0,0,0,0|2,1,0]=4 5796 B14R1.833 Nc1ccc(cc1Br)OCC(O)CO 34a_100012001276_100011219619 [0,1,0,0,0,0|1,0,0]=2 5797 B14R1.833 Nc1ccc(cc1Br)OCC(O)CO 7a_100012001276_100011219619 [0,1,0,0,0,0|1,0,0]=2 5798 B14R1.833 Nc1ccc(cc1Br)OC[C@@H](O)CF 34a_100012001276_100015614560 [0,1,0,0,0,0|2,0,0]=3 5799 B14R1.833 Nc1ccc(cc1Br)OC[C@@H](O)CF 7a_100012001276_100015614560 [0,1,0,0,0,0|2,0,0]=3 5800 B14R1.833 Nc1ccc(cc1Br)OC[C@@H](O)CO 34a_100012001276_100009815848 [0,1,0,0,0,0|1,0,0]=2 5801 B14R1.833 Nc1ccc(cc1Br)OC[C@@H](O)CO 7a_100012001276_100009815848 [0,1,0,0,0,0|1,0,0]=2 5802 B14R1.833 Nc1ccc(cc1Br)SCC(O)CO 62a_100000750455_100011219619 [0,1,0,0,0,0|1,1,0]=3 5803 B14R1.833 Nc1ccc(cc1Br)SCC(O)CO 62a_100011219619_100000750455 [0,1,0,0,0,0|1,1,0]=3 5804 B14R1.833 Nc1ccc(cc1Br)SC[C@@H](O)CF 62a_100000750455_100015614560 [0,1,0,0,0,0|2,1,0]=4 5805 B14R1.833 Nc1ccc(cc1Br)SC[C@@H](O)CF 62a_100015614560_100000750455 [0,1,0,0,0,0|2,1,0]=4 5806 B14R1.833 Nc1ccc(cc1Br)SC[C@@H](O)CO 62a_100000750455_100009815848 [0,1,0,0,0,0|1,1,0]=3 5807 B14R1.833 Nc1ccc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100000750455 [0,1,0,0,0,0|1,1,0]=3 5808 B14R1.833 Nc1ccc(cc1Cl)OCC(O)CO 34a_100011215599_100011219619 [0,1,0,0,0,0|1,0,0]=2 5809 B14R1.833 Nc1ccc(cc1Cl)OCC(O)CO 7a_100011215599_100011219619 [0,1,0,0,0,0|1,0,0]=2 5810 B14R1.833 Nc1ccc(cc1Cl)OC[C@@H](O)CF 34a_100011215599_100015614560 [0,1,0,0,0,0|2,0,0]=3 5811 B14R1.833 Nc1ccc(cc1Cl)OC[C@@H](O)CF 7a_100011215599_100015614560 [0,1,0,0,0,0|2,0,0]=3 5812 B14R1.833 Nc1ccc(cc1Cl)OC[C@@H](O)CO 34a_100011215599_100009815848 [0,1,0,0,0,0|1,0,0]=2 5813 B14R1.833 Nc1ccc(cc1Cl)OC[C@@H](O)CO 7a_100011215599_100009815848 [0,1,0,0,0,0|1,0,0]=2 5814 B14R1.833 Nc1ccc(cc1Cl)SCC(O)CO 62a_100011218065_100011219619 [0,1,0,0,0,0|1,1,0]=3 5815 B14R1.833 Nc1ccc(cc1Cl)SCC(O)CO 62a_100011219619_100011218065 [0,1,0,0,0,0|1,1,0]=3 5816 B14R1.833 Nc1ccc(cc1Cl)SC[C@@H](O)CF 62a_100011218065_100015614560 [0,1,0,0,0,0|2,1,0]=4 5817 B14R1.833 Nc1ccc(cc1Cl)SC[C@@H](O)CF 62a_100015614560_100011218065 [0,1,0,0,0,0|2,1,0]=4 5818 B14R1.833 Nc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100009815848_100011218065 [0,1,0,0,0,0|1,1,0]=3 5819 B14R1.833 Nc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100011218065_100009815848 [0,1,0,0,0,0|1,1,0]=3 5820 B14R1.833 Nc1ccc(cc1F)OCC(O)CO 34a_100000759473_100011219619 [0,1,0,0,0,0|1,0,0]=2 5821 B14R1.833 Nc1ccc(cc1F)OCC(O)CO 7a_100000759473_100011219619 [0,1,0,0,0,0|1,0,0]=2 5822 B14R1.833 Nc1ccc(cc1F)OC[C@@H](O)CF 34a_100000759473_100015614560 [0,1,0,0,0,0|2,0,0]=3 5823 B14R1.833 Nc1ccc(cc1F)OC[C@@H](O)CF 7a_100000759473_100015614560 [0,1,0,0,0,0|2,0,0]=3 5824 B14R1.833 Nc1ccc(cc1F)OC[C@@H](O)CO 34a_100000759473_100009815848 [0,1,0,0,0,0|1,0,0]=2 5825 B14R1.833 Nc1ccc(cc1F)OC[C@@H](O)CO 7a_100000759473_100009815848 [0,1,0,0,0,0|1,0,0]=2 5826 B14R1.833 Nc1ccc(cc1F)SCC(O)CO 62a_100011215594_100011219619 [0,1,0,0,0,0|1,1,0]=3 5827 B14R1.833 Nc1ccc(cc1F)SCC(O)CO 62a_100011219619_100011215594 [0,1,0,0,0,0|1,1,0]=3 5828 B14R1.833 Nc1ccc(cc1F)SC[C@@H](O)CF 62a_100011215594_100015614560 [0,1,0,0,0,0|2,1,0]=4 5829 B14R1.833 Nc1ccc(cc1F)SC[C@@H](O)CF 62a_100015614560_100011215594 [0,1,0,0,0,0|2,1,0]=4 5830 B14R1.833 Nc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100011215594 [0,1,0,0,0,0|1,1,0]=3 5831 B14R1.833 Nc1ccc(cc1F)SC[C@@H](O)CO 62a_100011215594_100009815848 [0,1,0,0,0,0|1,1,0]=3 5832 B14R1.833 Nc1ccc(cc1I)OCC(O)CO 34a_100010084370_100011219619 [0,1,0,0,0,0|1,0,0]=2 5833 B14R1.833 Nc1ccc(cc1I)OCC(O)CO 7a_100010084370_100011219619 [0,1,0,0,0,0|1,0,0]=2 5834 B14R1.833 Nc1ccc(cc1I)OC[C@@H](O)CF 34a_100010084370_100015614560 [0,1,0,0,0,0|2,0,0]=3 5835 B14R1.833 Nc1ccc(cc1I)OC[C@@H](O)CF 7a_100010084370_100015614560 [0,1,0,0,0,0|2,0,0]=3 5836 B14R1.833 Nc1ccc(cc1I)OC[C@@H](O)CO 34a_100010084370_100009815848 [0,1,0,0,0,0|1,0,0]=2 5837 B14R1.833 Nc1ccc(cc1I)OC[C@@H](O)CO 7a_100010084370_100009815848 [0,1,0,0,0,0|1,0,0]=2 5838 B14R1.833 Nc1ccc(cc1N)OCC(O)CO 34a_100025771000_100011219619 [0,1,0,0,0,0|1,0,0]=2 5839 B14R1.833 Nc1ccc(cc1N)OC[C@@H](O)CF 34a_100025771000_100015614560 [0,1,0,0,0,0|2,0,0]=3 5840 B14R1.833 Nc1ccc(cc1N)OC[C@@H](O)CO 34a_100025771000_100009815848 [0,1,0,0,0,0|1,0,0]=2 5841 B14R1.833 Nc1ccc(cc1N)SCC(O)CO 62a_100000741789_100011219619 [0,1,0,0,0,0|1,1,0]=3 5842 B14R1.833 Nc1ccc(cc1N)SCC(O)CO 62a_100011219619_100011534411 [0,1,0,0,0,0|1,1,0]=3 5843 B14R1.833 Nc1ccc(cc1N)SC[C@@H](O)CF 62a_100000741789_100015614560 [0,1,0,0,0,0|2,1,0]=4 5844 B14R1.833 Nc1ccc(cc1N)SC[C@@H](O)CF 62a_100015614560_100011534411 [0,1,0,0,0,0|2,1,0]=4 5845 B14R1.833 Nc1ccc(cc1N)SC[C@@H](O)CO 62a_100000741789_100009815848 [0,1,0,0,0,0|1,1,0]=3 5846 B14R1.833 Nc1ccc(cc1N)SC[C@@H](O)CO 62a_100009815848_100011534411 [0,1,0,0,0,0|1,1,0]=3 5847 B14R1.833 Nc1ccc(cc1O)SCC(O)CO 62a_100000739049_100011219619 [0,1,0,0,0,0|1,1,0]=3 5848 B14R1.833 Nc1ccc(cc1O)SCC(O)CO 62a_100011219619_100000739049 [0,1,0,0,0,0|1,1,0]=3 5849 B14R1.833 Nc1ccc(cc1O)SC[C@@H](O)CF 62a_100000739049_100015614560 [0,1,0,0,0,0|2,1,0]=4 5850 B14R1.833 Nc1ccc(cc1O)SC[C@@H](O)CF 62a_100015614560_100000739049 [0,1,0,0,0,0|2,1,0]=4 5851 B14R1.833 Nc1ccc(cc1O)SC[C@@H](O)CO 62a_100000739049_100009815848 [0,1,0,0,0,0|1,1,0]=3 5852 B14R1.833 Nc1ccc(cc1O)SC[C@@H](O)CO 62a_100009815848_100000739049 [0,1,0,0,0,0|1,1,0]=3 5853 B14R1.833 Nc1ccc(nc1Cl)SCC(O)CO 62a_100011219619_200010233646 [0,1,0,0,0,0|2,1,0]=4 5854 B14R1.833 Nc1ccc(nc1Cl)SCC(O)CO 62a_200010233646_100011219619 [0,1,0,0,0,0|2,1,0]=4 5855 B14R1.833 Nc1ccc(nc1Cl)SC[C@@H](O)CO 62a_100009815848_200010233646 [0,1,0,0,0,0|2,1,0]=4 5856 B14R1.833 Nc1ccc(nc1Cl)SC[C@@H](O)CO 62a_200010233646_100009815848 [0,1,0,0,0,0|2,1,0]=4 5857 B14R1.833 Nc1ccc(nc1F)SCC(O)CO 62a_100009856439_100011219619 [0,1,0,0,0,0|2,1,0]=4 5858 B14R1.833 Nc1ccc(nc1F)SCC(O)CO 62a_100011219619_100009856439 [0,1,0,0,0,0|2,1,0]=4 5859 B14R1.833 Nc1ccc(nc1F)SC[C@@H](O)CO 62a_100009815848_100009856439 [0,1,0,0,0,0|2,1,0]=4 5860 B14R1.833 Nc1ccc(nc1F)SC[C@@H](O)CO 62a_100009856439_100009815848 [0,1,0,0,0,0|2,1,0]=4 5861 B14R1.833 Nc1ccc(nc1N)SCC(O)CO 62a_100000747239_100011219619 [0,1,0,0,0,0|2,1,0]=4 5862 B14R1.833 Nc1ccc(nc1N)SC[C@@H](O)CO 62a_100000747239_100009815848 [0,1,0,0,0,0|2,1,0]=4 5863 B14R1.833 Nc1ccc(nc1O)SCC(O)CO 62a_100000718904_100011219619 [0,1,0,0,0,0|2,1,0]=4 5864 B14R1.833 Nc1ccc(nc1O)SC[C@@H](O)CO 62a_100000718904_100009815848 [0,1,0,0,0,0|2,1,0]=4 5865 B14R1.833 Nc1cnc(cc1N)SCC(O)CO 62a_100000067514_100011219619 [0,1,0,0,0,0|2,1,0]=4 5866 B14R1.833 Nc1cnc(cc1N)SCC(O)CO 62a_100011219619_100000067514 [0,1,0,0,0,0|2,1,0]=4 5867 B14R1.833 Nc1cnc(cc1N)SC[C@@H](O)CO 62a_100000067514_100009815848 [0,1,0,0,0,0|2,1,0]=4 5868 B14R1.833 Nc1cnc(cc1N)SC[C@@H](O)CO 62a_100009815848_100000067514 [0,1,0,0,0,0|2,1,0]=4 5869 B14R1.833 Nc1nc(ccc1F)SCC(O)CO 62a_100011219619_100016091773 [0,1,0,0,0,0|1,2,0]=4 5870 B14R1.833 Nc1nc(ccc1F)SCC(O)CO 62a_100016091773_100011219619 [0,1,0,0,0,0|1,2,0]=4 5871 B14R1.833 Nc1nc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100016091773 [0,1,0,0,0,0|1,2,0]=4 5872 B14R1.833 Nc1nc(ccc1F)SC[C@@H](O)CO 62a_100016091773_100009815848 [0,1,0,0,0,0|1,2,0]=4 5873 B14R1.833 Nc1nc(ccc1O)SCC(O)CO 62a_100000685527_100011219619 [0,1,0,0,0,0|2,1,0]=4 5874 B14R1.833 Nc1nc(ccc1O)SCC(O)CO 62a_100011219619_100000685527 [0,1,0,0,0,0|2,1,0]=4 5875 B14R1.833 Nc1nc(ccc1O)SC[C@@H](O)CO 62a_100000685527_100009815848 [0,1,0,0,0,0|2,1,0]=4 5876 B14R1.833 Nc1nc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000685527 [0,1,0,0,0,0|2,1,0]=4 5877 B14R1.833 Nc1ncc(cc1Br)SCC(O)CO 62a_100011219619_100012353989 [0,1,0,0,0,0|2,1,0]=4 5878 B14R1.833 Nc1ncc(cc1Br)SCC(O)CO 62a_100012353989_100011219619 [0,1,0,0,0,0|2,1,0]=4 5879 B14R1.833 Nc1ncc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100012353989 [0,1,0,0,0,0|2,1,0]=4 5880 B14R1.833 Nc1ncc(cc1Br)SC[C@@H](O)CO 62a_100012353989_100009815848 [0,1,0,0,0,0|2,1,0]=4 5881 B14R1.833 Nc1ncc(cc1Cl)SCC(O)CO 62a_100011219619_100012356299 [0,1,0,0,0,0|2,1,0]=4 5882 B14R1.833 Nc1ncc(cc1Cl)SCC(O)CO 62a_100012356299_100011219619 [0,1,0,0,0,0|2,1,0]=4 5883 B14R1.833 Nc1ncc(cc1Cl)SC[C@@H](O)CO 62a_100009815848_100012356299 [0,1,0,0,0,0|2,1,0]=4 5884 B14R1.833 Nc1ncc(cc1Cl)SC[C@@H](O)CO 62a_100012356299_100009815848 [0,1,0,0,0,0|2,1,0]=4 5885 B14R1.833 Nc1ncc(cc1F)SCC(O)CO 62a_100000693161_100011219619 [0,1,0,0,0,0|2,1,0]=4 5886 B14R1.833 Nc1ncc(cc1F)SCC(O)CO 62a_100011219619_100000693161 [0,1,0,0,0,0|2,1,0]=4 5887 B14R1.833 Nc1ncc(cc1F)SC[C@@H](O)CO 62a_100000693161_100009815848 [0,1,0,0,0,0|2,1,0]=4 5888 B14R1.833 Nc1ncc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000693161 [0,1,0,0,0,0|2,1,0]=4 5889 B14R1.833 Nc1ncc(cc1O)SCC(O)CO 62a_100009819042_100011219619 [0,1,0,0,0,0|2,1,0]=4 5890 B14R1.833 Nc1ncc(cc1O)SCC(O)CO 62a_100011219619_100009819042 [0,1,0,0,0,0|2,1,0]=4 5891 B14R1.833 Nc1ncc(cc1O)SC[C@@H](O)CO 62a_100009815848_100009819042 [0,1,0,0,0,0|2,1,0]=4 5892 B14R1.833 Nc1ncc(cc1O)SC[C@@H](O)CO 62a_100009819042_100009815848 [0,1,0,0,0,0|2,1,0]=4 5893 B14R1.833 O=C(CF)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_100015361967 [0,1,0,0,0,0|1,0,2]=4 5894 B14R1.833 O=C(CF)COc1ccc(c(c1)F)Cl 1458a_100012982646_100015361967 [0,1,0,0,0,0|1,0,2]=4 5895 B14R1.833 O=C(CO)CCc1ccc(c(c1)Cl)Cl 1458a_100000210174_100011713676 [0,1,0,0,0,0|1,0,2]=4 5896 B14R1.833 O=c1[nH]cc(cc1Br)SCC(O)CO 62a_100010125443_100011219619 [0,1,0,0,0,0|2,1,0]=4 5897 B14R1.833 O=c1[nH]cc(cc1Br)SCC(O)CO 62a_100011219619_100010125443 [0,1,0,0,0,0|2,1,0]=4 5898 B14R1.833 O=c1[nH]cc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100010125443 [0,1,0,0,0,0|2,1,0]=4 5899 B14R1.833 O=c1[nH]cc(cc1Br)SC[C@@H](O)CO 62a_100010125443_100009815848 [0,1,0,0,0,0|2,1,0]=4 5900 B14R1.833 O=c1[nH]cc(cc1F)SCC(O)CO 62a_100000723523_100011219619 [0,1,0,0,0,0|2,1,0]=4 5901 B14R1.833 O=c1[nH]cc(cc1F)SCC(O)CO 62a_100011219619_100000723523 [0,1,0,0,0,0|2,1,0]=4 5902 B14R1.833 O=c1[nH]cc(cc1F)SC[C@@H](O)CO 62a_100000723523_100009815848 [0,1,0,0,0,0|2,1,0]=4 5903 B14R1.833 O=c1[nH]cc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000723523 [0,1,0,0,0,0|2,1,0]=4 5904 B14R1.833 O=c1[nH]cc(cc1O)SCC(O)CO 62a_100011219619_100009814561 [0,1,0,0,0,0|2,1,0]=4 5905 B14R1.833 O=c1[nH]cc(cc1O)SC[C@@H](O)CO 62a_100009815848_100009814561 [0,1,0,0,0,0|2,1,0]=4 5906 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100011219619 [0,1,0,0,0,0|1,1,0]=3 5907 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100011219619 [0,1,0,0,0,0|1,1,0]=3 5908 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100011219619 [0,1,0,0,0,0|1,1,0]=3 5909 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011219619 [0,1,0,0,0,0|1,0,0]=2 5910 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100011219619 [0,1,0,0,0,0|1,0,0]=2 5911 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100011219619 [0,1,0,0,0,0|1,1,0]=3 5912 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)F 34a_100000760356_100011219619 [0,1,0,0,0,0|1,1,0]=3 5913 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)F 7a_100000760356_100011219619 [0,1,0,0,0,0|1,1,0]=3 5914 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)I 34a_100000750458_100011219619 [0,1,0,0,0,0|1,1,0]=3 5915 B14R1.833 OCC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011219619 [0,1,0,0,0,0|2,0,0]=3 5916 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011219619 [0,1,0,0,0,0|1,1,0]=3 5917 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100011219619 [0,1,0,0,0,0|1,1,0]=3 5918 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100011219619 [0,1,0,0,0,0|1,1,0]=3 5919 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011219619 [0,1,0,0,0,0|1,0,0]=2 5920 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011219619 [0,1,0,0,0,0|1,0,0]=2 5921 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100011219619 [0,1,0,0,0,0|1,1,0]=3 5922 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100011219619 [0,1,0,0,0,0|1,1,0]=3 5923 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100011219619 [0,1,0,0,0,0|1,1,0]=3 5924 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100011219619 [0,1,0,0,0,0|1,1,0]=3 5925 B14R1.833 OCC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011219619 [0,1,0,0,0,0|2,0,0]=3 5926 B14R1.833 OCC(O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100011219619 [0,1,0,0,0,0|1,1,0]=3 5927 B14R1.833 OCC(O)CNc1ccc(c(c1)F)Br 34a_100000759894_100011219619 [0,1,0,0,0,0|1,1,0]=3 5928 B14R1.833 OCC(O)CNc1ccc(c(c1)F)Br 7a_100000759894_100011219619 [0,1,0,0,0,0|1,1,0]=3 5929 B14R1.833 OCC(O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100011219619 [0,1,0,0,0,0|1,0,0]=2 5930 B14R1.833 OCC(O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100011219619 [0,1,0,0,0,0|1,0,0]=2 5931 B14R1.833 OCC(O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100011219619 [0,1,0,0,0,0|1,0,0]=2 5932 B14R1.833 OCC(O)CNc1ccc(c(c1)F)F 2230a_100000210724_100011219619 [0,1,0,0,0,0|1,1,0]=3 5933 B14R1.833 OCC(O)CNc1ccc(c(c1)F)F 34a_100000210724_100011219619 [0,1,0,0,0,0|1,1,0]=3 5934 B14R1.833 OCC(O)CNc1ccc(c(c1)F)F 7a_100000210724_100011219619 [0,1,0,0,0,0|1,1,0]=3 5935 B14R1.833 OCC(O)CNc1ccc(c(c1)F)I 34a_100011356925_100011219619 [0,1,0,0,0,0|1,1,0]=3 5936 B14R1.833 OCC(O)CNc1ccc(c(c1)F)I 7a_100011356925_100011219619 [0,1,0,0,0,0|1,1,0]=3 5937 B14R1.833 OCC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011219619 [0,1,0,0,0,0|2,0,0]=3 5938 B14R1.833 OCC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011219619 [0,1,0,0,0,0|2,0,0]=3 5939 B14R1.833 OCC(O)CNc1ccc(c(c1)I)Br 34a_100000750459_100011219619 [0,1,0,0,0,0|1,1,0]=3 5940 B14R1.833 OCC(O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100011219619 [0,1,0,0,0,0|1,0,0]=2 5941 B14R1.833 OCC(O)CNc1ccc(c(c1)I)F 34a_114828291077_100011219619 [0,1,0,0,0,0|1,1,0]=3 5942 B14R1.833 OCC(O)CNc1ccc(c(c1)I)F 7a_114828291077_100011219619 [0,1,0,0,0,0|1,1,0]=3 5943 B14R1.833 OCC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011219619 [0,1,0,0,0,0|1,0,0]=2 5944 B14R1.833 OCC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011219619 [0,1,0,0,0,0|1,1,0]=3 5945 B14R1.833 OCC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011219619 [0,1,0,0,0,0|1,1,0]=3 5946 B14R1.833 OCC(O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100011219619 [0,1,0,0,0,0|1,1,0]=3 5947 B14R1.833 OCC(O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100011219619 [0,1,0,0,0,0|1,0,0]=2 5948 B14R1.833 OCC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011219619 [0,1,0,0,0,0|0,0,0]=1 5949 B14R1.833 OCC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011219619 [0,1,0,0,0,0|0,0,0]=1 5950 B14R1.833 OCC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100011219619 [0,1,0,0,0,0|0,1,0]=2 5951 B14R1.833 OCC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100011219619 [0,1,0,0,0,0|0,1,0]=2 5952 B14R1.833 OCC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100011219619 [0,1,0,0,0,0|0,1,0]=2 5953 B14R1.833 OCC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100011219619 [0,1,0,0,0,0|0,1,0]=2 5954 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011219619 [0,1,0,0,0,0|0,1,0]=2 5955 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011219619 [0,1,0,0,0,0|0,1,0]=2 5956 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011219619 [0,1,0,0,0,0|0,0,0]=1 5957 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011219619 [0,1,0,0,0,0|0,0,0]=1 5958 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100011219619 [0,1,0,0,0,0|0,1,0]=2 5959 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100011219619 [0,1,0,0,0,0|0,1,0]=2 5960 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100011219619 [0,1,0,0,0,0|0,1,0]=2 5961 B14R1.833 OCC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100011219619 [0,1,0,0,0,0|0,1,0]=2 5962 B14R1.833 OCC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100011219619 [0,1,0,0,0,0|0,1,0]=2 5963 B14R1.833 OCC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100011219619 [0,1,0,0,0,0|0,1,0]=2 5964 B14R1.833 OCC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100011219619 [0,1,0,0,0,0|0,0,0]=1 5965 B14R1.833 OCC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100011219619 [0,1,0,0,0,0|0,0,0]=1 5966 B14R1.833 OCC(O)COc1ccc(c(c1)F)F 34a_100000181275_100011219619 [0,1,0,0,0,0|0,1,0]=2 5967 B14R1.833 OCC(O)COc1ccc(c(c1)F)F 7a_100000181275_100011219619 [0,1,0,0,0,0|0,1,0]=2 5968 B14R1.833 OCC(O)COc1ccc(c(c1)F)I 34a_100009990212_100011219619 [0,1,0,0,0,0|0,1,0]=2 5969 B14R1.833 OCC(O)COc1ccc(c(c1)F)I 7a_100009990212_100011219619 [0,1,0,0,0,0|0,1,0]=2 5970 B14R1.833 OCC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100011219619 [0,1,0,0,0,0|0,1,0]=2 5971 B14R1.833 OCC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100011219619 [0,1,0,0,0,0|0,1,0]=2 5972 B14R1.833 OCC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100011219619 [0,1,0,0,0,0|0,0,0]=1 5973 B14R1.833 OCC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100011219619 [0,1,0,0,0,0|0,0,0]=1 5974 B14R1.833 OCC(O)COc1ccc(c(n1)F)Br 34a_100009879308_100011219619 [0,1,0,0,0,0|1,1,0]=3 5975 B14R1.833 OCC(O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100011219619 [0,1,0,0,0,0|1,0,0]=2 5976 B14R1.833 OCC(O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100011219619 [0,1,0,0,0,0|1,0,0]=2 5977 B14R1.833 OCC(O)COc1cnc(c(c1)Br)F 34a_100009817267_100011219619 [0,1,0,0,0,0|1,1,0]=3 5978 B14R1.833 OCC(O)COc1cnc(c(c1)Br)F 7a_100009817267_100011219619 [0,1,0,0,0,0|1,1,0]=3 5979 B14R1.833 OCC(O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100011219619 [0,1,0,0,0,0|1,1,0]=3 5980 B14R1.833 OCC(O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100011219619 [0,1,0,0,0,0|1,1,0]=3 5981 B14R1.833 OCC(O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100011219619 [0,1,0,0,0,0|1,0,0]=2 5982 B14R1.833 OCC(O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100011219619 [0,1,0,0,0,0|1,0,0]=2 5983 B14R1.833 OCC(O)COc1cnc(c(c1)Cl)F 34a_100000087088_100011219619 [0,1,0,0,0,0|1,1,0]=3 5984 B14R1.833 OCC(O)COc1cnc(c(c1)Cl)F 7a_100000087088_100011219619 [0,1,0,0,0,0|1,1,0]=3 5985 B14R1.833 OCC(O)COc1cnc(c(c1)F)Cl 34a_100000063512_100011219619 [0,1,0,0,0,0|1,0,0]=2 5986 B14R1.833 OCC(O)COc1cnc(c(c1)F)Cl 7a_100000063512_100011219619 [0,1,0,0,0,0|1,0,0]=2 5987 B14R1.833 OCC(O)COc1cnc(c(n1)Cl)Br 34a_100010080449_100011219619 [0,1,0,0,0,0|2,1,0]=4 5988 B14R1.833 OCC(O)CSc1cc(c(cn1)F)O 62a_100009854642_100011219619 [0,1,0,0,0,0|1,2,0]=4 5989 B14R1.833 OCC(O)CSc1cc(c(cn1)F)O 62a_100011219619_100009854642 [0,1,0,0,0,0|1,2,0]=4 5990 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)Br 62a_100011219619_100012356285 [0,1,0,0,0,0|0,2,0]=3 5991 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100011219619 [0,1,0,0,0,0|0,2,0]=3 5992 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)Cl 62a_100011219619_100012353702 [0,1,0,0,0,0|0,1,0]=2 5993 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100011219619 [0,1,0,0,0,0|0,1,0]=2 5994 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)F 62a_100011219619_100012047266 [0,1,0,0,0,0|0,2,0]=3 5995 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)F 62a_100012047266_100011219619 [0,1,0,0,0,0|0,2,0]=3 5996 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)O 62a_100011219619_100012361655 [0,1,0,0,0,0|1,1,0]=3 5997 B14R1.833 OCC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011219619 [0,1,0,0,0,0|1,1,0]=3 5998 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)Br 62a_100011219619_100012047281 [0,1,0,0,0,0|0,2,0]=3 5999 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100011219619 [0,1,0,0,0,0|0,2,0]=3 6000 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011219619 [0,1,0,0,0,0|0,1,0]=2 6001 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011219619_100011214914 [0,1,0,0,0,0|0,1,0]=2 6002 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100011219619 [0,1,0,0,0,0|0,2,0]=3 6003 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)F 62a_100011219619_100011215976 [0,1,0,0,0,0|0,2,0]=3 6004 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)O 62a_100011219619_100012360047 [0,1,0,0,0,0|1,1,0]=3 6005 B14R1.833 OCC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011219619 [0,1,0,0,0,0|1,1,0]=3 6006 B14R1.833 OCC(O)CSc1ccc(c(c1)F)Br 62a_100000685389_100011219619 [0,1,0,0,0,0|0,2,0]=3 6007 B14R1.833 OCC(O)CSc1ccc(c(c1)F)Br 62a_100011219619_100000685389 [0,1,0,0,0,0|0,2,0]=3 6008 B14R1.833 OCC(O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100011219619 [0,1,0,0,0,0|0,1,0]=2 6009 B14R1.833 OCC(O)CSc1ccc(c(c1)F)Cl 62a_100011219619_100011216805 [0,1,0,0,0,0|0,1,0]=2 6010 B14R1.833 OCC(O)CSc1ccc(c(c1)F)F 62a_100000703953_100011219619 [0,1,0,0,0,0|0,2,0]=3 6011 B14R1.833 OCC(O)CSc1ccc(c(c1)F)F 62a_100011219619_100000703953 [0,1,0,0,0,0|0,2,0]=3 6012 B14R1.833 OCC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011219619 [0,1,0,0,0,0|1,1,0]=3 6013 B14R1.833 OCC(O)CSc1ccc(c(c1)F)O 62a_100011219619_100000185481 [0,1,0,0,0,0|1,1,0]=3 6014 B14R1.833 OCC(O)CSc1ccc(c(c1)O)Br 62a_100011219619_100012356990 [0,1,0,0,0,0|0,2,0]=3 6015 B14R1.833 OCC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011219619 [0,1,0,0,0,0|0,2,0]=3 6016 B14R1.833 OCC(O)CSc1ccc(c(c1)O)Cl 62a_100011219619_100011356854 [0,1,0,0,0,0|0,1,0]=2 6017 B14R1.833 OCC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011219619 [0,1,0,0,0,0|0,1,0]=2 6018 B14R1.833 OCC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011219619 [0,1,0,0,0,0|0,2,0]=3 6019 B14R1.833 OCC(O)CSc1ccc(c(c1)O)F 62a_100011219619_100000686035 [0,1,0,0,0,0|0,2,0]=3 6020 B14R1.833 OCC(O)CSc1ccc(c(c1)O)O 62a_100011219619_100009813601 [0,1,0,0,0,0|1,1,0]=3 6021 B14R1.833 OCC(O)CSc1ccc(c(n1)Br)O 62a_100000725334_100011219619 [0,1,0,0,0,0|2,1,0]=4 6022 B14R1.833 OCC(O)CSc1ccc(c(n1)Br)O 62a_100011219619_100000725334 [0,1,0,0,0,0|2,1,0]=4 6023 B14R1.833 OCC(O)CSc1ccc(c(n1)Cl)O 62a_100011219619_100000721234 [0,1,0,0,0,0|2,1,0]=4 6024 B14R1.833 OCC(O)CSc1ccc(c(n1)F)Br 62a_100010134343_100011219619 [0,1,0,0,0,0|1,2,0]=4 6025 B14R1.833 OCC(O)CSc1ccc(c(n1)F)Br 62a_100011219619_100010134343 [0,1,0,0,0,0|1,2,0]=4 6026 B14R1.833 OCC(O)CSc1ccc(c(n1)F)O 62a_100009819667_100011219619 [0,1,0,0,0,0|2,1,0]=4 6027 B14R1.833 OCC(O)CSc1ccc(c(n1)F)O 62a_100011219619_100009819667 [0,1,0,0,0,0|2,1,0]=4 6028 B14R1.833 OCC(O)CSc1ccc(c(n1)O)F 62a_100011219619_100010729010 [0,1,0,0,0,0|1,2,0]=4 6029 B14R1.833 OCC(O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100011219619 [0,1,0,0,0,0|1,1,0]=3 6030 B14R1.833 OCC(O)CSc1cnc(c(c1)Br)Cl 62a_100011219619_100010172733 [0,1,0,0,0,0|1,1,0]=3 6031 B14R1.833 OCC(O)CSc1cnc(c(c1)Cl)O 62a_100010238531_100011219619 [0,1,0,0,0,0|2,1,0]=4 6032 B14R1.833 OCC(O)CSc1cnc(c(c1)Cl)O 62a_100011219619_100010238531 [0,1,0,0,0,0|2,1,0]=4 6033 B14R1.833 OCC(O)CSc1cnc(c(c1)F)F 62a_100009817721_100011219619 [0,1,0,0,0,0|1,2,0]=4 6034 B14R1.833 OCC(O)CSc1cnc(c(c1)F)F 62a_100011219619_100009817721 [0,1,0,0,0,0|1,2,0]=4 6035 B14R1.833 OCC(O)CSc1cnc(c(c1)O)F 62a_100009819871_100011219619 [0,1,0,0,0,0|1,2,0]=4 6036 B14R1.833 OCC(O)CSc1cnc(c(c1)O)F 62a_100011219619_100009819871 [0,1,0,0,0,0|1,2,0]=4 6037 B14R1.833 OC[C@@H](O)CNc1ccc(c(n1)F)Br 27a_100020644852_100010134343 [0,1,0,0,0,0|2,1,0]=4 6038 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100009815848 [0,1,0,0,0,0|1,1,0]=3 6039 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100009815848 [0,1,0,0,0,0|1,1,0]=3 6040 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100009815848 [0,1,0,0,0,0|1,1,0]=3 6041 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100009815848 [0,1,0,0,0,0|1,0,0]=2 6042 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100009815848 [0,1,0,0,0,0|1,0,0]=2 6043 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100009815848 [0,1,0,0,0,0|1,1,0]=3 6044 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)F 34a_100000760356_100009815848 [0,1,0,0,0,0|1,1,0]=3 6045 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)F 7a_100000760356_100009815848 [0,1,0,0,0,0|1,1,0]=3 6046 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)I 34a_100000750458_100009815848 [0,1,0,0,0,0|1,1,0]=3 6047 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Br)O 34a_100011534360_100009815848 [0,1,0,0,0,0|2,0,0]=3 6048 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100009815848 [0,1,0,0,0,0|1,1,0]=3 6049 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100009815848 [0,1,0,0,0,0|1,1,0]=3 6050 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100009815848 [0,1,0,0,0,0|1,1,0]=3 6051 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100009815848 [0,1,0,0,0,0|1,0,0]=2 6052 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100009815848 [0,1,0,0,0,0|1,0,0]=2 6053 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100009815848 [0,1,0,0,0,0|1,1,0]=3 6054 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100009815848 [0,1,0,0,0,0|1,1,0]=3 6055 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100009815848 [0,1,0,0,0,0|1,1,0]=3 6056 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100009815848 [0,1,0,0,0,0|1,1,0]=3 6057 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009815848 [0,1,0,0,0,0|2,0,0]=3 6058 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100009815848 [0,1,0,0,0,0|1,1,0]=3 6059 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)Br 34a_100000759894_100009815848 [0,1,0,0,0,0|1,1,0]=3 6060 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)Br 7a_100000759894_100009815848 [0,1,0,0,0,0|1,1,0]=3 6061 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100009815848 [0,1,0,0,0,0|1,0,0]=2 6062 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100009815848 [0,1,0,0,0,0|1,0,0]=2 6063 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100009815848 [0,1,0,0,0,0|1,0,0]=2 6064 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)F 2230a_100000210724_100009815848 [0,1,0,0,0,0|1,1,0]=3 6065 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)F 34a_100000210724_100009815848 [0,1,0,0,0,0|1,1,0]=3 6066 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)F 7a_100000210724_100009815848 [0,1,0,0,0,0|1,1,0]=3 6067 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)I 34a_100011356925_100009815848 [0,1,0,0,0,0|1,1,0]=3 6068 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)I 7a_100011356925_100009815848 [0,1,0,0,0,0|1,1,0]=3 6069 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)O 34a_100011220035_100009815848 [0,1,0,0,0,0|2,0,0]=3 6070 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)F)O 7a_100011220035_100009815848 [0,1,0,0,0,0|2,0,0]=3 6071 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)I)Br 34a_100000750459_100009815848 [0,1,0,0,0,0|1,1,0]=3 6072 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100009815848 [0,1,0,0,0,0|1,0,0]=2 6073 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)I)F 34a_114828291077_100009815848 [0,1,0,0,0,0|1,1,0]=3 6074 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)I)F 7a_114828291077_100009815848 [0,1,0,0,0,0|1,1,0]=3 6075 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009815848 [0,1,0,0,0,0|1,0,0]=2 6076 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)O)F 34a_100012017398_100009815848 [0,1,0,0,0,0|1,1,0]=3 6077 B14R1.833 OC[C@H](O)CNc1ccc(c(c1)O)F 7a_100012017398_100009815848 [0,1,0,0,0,0|1,1,0]=3 6078 B14R1.833 OC[C@H](O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100009815848 [0,1,0,0,0,0|1,1,0]=3 6079 B14R1.833 OC[C@H](O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100009815848 [0,1,0,0,0,0|1,0,0]=2 6080 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009815848 [0,1,0,0,0,0|0,0,0]=1 6081 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100009815848 [0,1,0,0,0,0|0,0,0]=1 6082 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Br)F 34a_100000693481_100009815848 [0,1,0,0,0,0|0,1,0]=2 6083 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Br)F 7a_100000693481_100009815848 [0,1,0,0,0,0|0,1,0]=2 6084 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Br)I 34a_100000701344_100009815848 [0,1,0,0,0,0|0,1,0]=2 6085 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Br)I 7a_100000701344_100009815848 [0,1,0,0,0,0|0,1,0]=2 6086 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009815848 [0,1,0,0,0,0|0,1,0]=2 6087 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100009815848 [0,1,0,0,0,0|0,1,0]=2 6088 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009815848 [0,1,0,0,0,0|0,0,0]=1 6089 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100009815848 [0,1,0,0,0,0|0,0,0]=1 6090 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)F 34a_100000211030_100009815848 [0,1,0,0,0,0|0,1,0]=2 6091 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)F 7a_100000211030_100009815848 [0,1,0,0,0,0|0,1,0]=2 6092 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)I 34a_100000047559_100009815848 [0,1,0,0,0,0|0,1,0]=2 6093 B14R1.833 OC[C@H](O)COc1ccc(c(c1)Cl)I 7a_100000047559_100009815848 [0,1,0,0,0,0|0,1,0]=2 6094 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)Br 34a_100000755031_100009815848 [0,1,0,0,0,0|0,1,0]=2 6095 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)Br 7a_100000755031_100009815848 [0,1,0,0,0,0|0,1,0]=2 6096 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)Cl 34a_100000691581_100009815848 [0,1,0,0,0,0|0,0,0]=1 6097 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)Cl 7a_100000691581_100009815848 [0,1,0,0,0,0|0,0,0]=1 6098 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)F 34a_100000181275_100009815848 [0,1,0,0,0,0|0,1,0]=2 6099 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)F 7a_100000181275_100009815848 [0,1,0,0,0,0|0,1,0]=2 6100 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)I 34a_100009990212_100009815848 [0,1,0,0,0,0|0,1,0]=2 6101 B14R1.833 OC[C@H](O)COc1ccc(c(c1)F)I 7a_100009990212_100009815848 [0,1,0,0,0,0|0,1,0]=2 6102 B14R1.833 OC[C@H](O)COc1ccc(c(c1)I)Br 34a_100012339312_100009815848 [0,1,0,0,0,0|0,1,0]=2 6103 B14R1.833 OC[C@H](O)COc1ccc(c(c1)I)Br 7a_100012339312_100009815848 [0,1,0,0,0,0|0,1,0]=2 6104 B14R1.833 OC[C@H](O)COc1ccc(c(c1)I)Cl 34a_100000049588_100009815848 [0,1,0,0,0,0|0,0,0]=1 6105 B14R1.833 OC[C@H](O)COc1ccc(c(c1)I)Cl 7a_100000049588_100009815848 [0,1,0,0,0,0|0,0,0]=1 6106 B14R1.833 OC[C@H](O)COc1ccc(c(n1)F)Br 34a_100009879308_100009815848 [0,1,0,0,0,0|1,1,0]=3 6107 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100009815848 [0,1,0,0,0,0|1,0,0]=2 6108 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100009815848 [0,1,0,0,0,0|1,0,0]=2 6109 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Br)F 34a_100009817267_100009815848 [0,1,0,0,0,0|1,1,0]=3 6110 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Br)F 7a_100009817267_100009815848 [0,1,0,0,0,0|1,1,0]=3 6111 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100009815848 [0,1,0,0,0,0|1,1,0]=3 6112 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100009815848 [0,1,0,0,0,0|1,1,0]=3 6113 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100009815848 [0,1,0,0,0,0|1,0,0]=2 6114 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100009815848 [0,1,0,0,0,0|1,0,0]=2 6115 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Cl)F 34a_100000087088_100009815848 [0,1,0,0,0,0|1,1,0]=3 6116 B14R1.833 OC[C@H](O)COc1cnc(c(c1)Cl)F 7a_100000087088_100009815848 [0,1,0,0,0,0|1,1,0]=3 6117 B14R1.833 OC[C@H](O)COc1cnc(c(c1)F)Cl 34a_100000063512_100009815848 [0,1,0,0,0,0|1,0,0]=2 6118 B14R1.833 OC[C@H](O)COc1cnc(c(c1)F)Cl 7a_100000063512_100009815848 [0,1,0,0,0,0|1,0,0]=2 6119 B14R1.833 OC[C@H](O)COc1cnc(c(n1)Cl)Br 34a_100010080449_100009815848 [0,1,0,0,0,0|2,1,0]=4 6120 B14R1.833 OC[C@H](O)CSc1cc(c(cn1)F)O 62a_100009815848_100009854642 [0,1,0,0,0,0|1,2,0]=4 6121 B14R1.833 OC[C@H](O)CSc1cc(c(cn1)F)O 62a_100009854642_100009815848 [0,1,0,0,0,0|1,2,0]=4 6122 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)Br 62a_100009815848_100012356285 [0,1,0,0,0,0|0,2,0]=3 6123 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100009815848 [0,1,0,0,0,0|0,2,0]=3 6124 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)Cl 62a_100009815848_100012353702 [0,1,0,0,0,0|0,1,0]=2 6125 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100009815848 [0,1,0,0,0,0|0,1,0]=2 6126 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)F 62a_100009815848_100012047266 [0,1,0,0,0,0|0,2,0]=3 6127 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)F 62a_100012047266_100009815848 [0,1,0,0,0,0|0,2,0]=3 6128 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)O 62a_100009815848_100012361655 [0,1,0,0,0,0|1,1,0]=3 6129 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Br)O 62a_100012361655_100009815848 [0,1,0,0,0,0|1,1,0]=3 6130 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)Br 62a_100009815848_100012047281 [0,1,0,0,0,0|0,2,0]=3 6131 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100009815848 [0,1,0,0,0,0|0,2,0]=3 6132 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100009815848_100011214914 [0,1,0,0,0,0|0,1,0]=2 6133 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100009815848 [0,1,0,0,0,0|0,1,0]=2 6134 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)F 62a_100009815848_100011215976 [0,1,0,0,0,0|0,2,0]=3 6135 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100009815848 [0,1,0,0,0,0|0,2,0]=3 6136 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)O 62a_100009815848_100012360047 [0,1,0,0,0,0|1,1,0]=3 6137 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100009815848 [0,1,0,0,0,0|1,1,0]=3 6138 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)Br 62a_100000685389_100009815848 [0,1,0,0,0,0|0,2,0]=3 6139 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)Br 62a_100009815848_100000685389 [0,1,0,0,0,0|0,2,0]=3 6140 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)Cl 62a_100009815848_100011216805 [0,1,0,0,0,0|0,1,0]=2 6141 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100009815848 [0,1,0,0,0,0|0,1,0]=2 6142 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)F 62a_100000703953_100009815848 [0,1,0,0,0,0|0,2,0]=3 6143 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)F 62a_100009815848_100000703953 [0,1,0,0,0,0|0,2,0]=3 6144 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)O 62a_100000185481_100009815848 [0,1,0,0,0,0|1,1,0]=3 6145 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)F)O 62a_100009815848_100000185481 [0,1,0,0,0,0|1,1,0]=3 6146 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)Br 62a_100009815848_100012356990 [0,1,0,0,0,0|0,2,0]=3 6147 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)Br 62a_100012356990_100009815848 [0,1,0,0,0,0|0,2,0]=3 6148 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)Cl 62a_100009815848_100011356854 [0,1,0,0,0,0|0,1,0]=2 6149 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100009815848 [0,1,0,0,0,0|0,1,0]=2 6150 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)F 62a_100000686035_100009815848 [0,1,0,0,0,0|0,2,0]=3 6151 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)F 62a_100009815848_100000686035 [0,1,0,0,0,0|0,2,0]=3 6152 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)O 62a_100009815848_100009813601 [0,1,0,0,0,0|1,1,0]=3 6153 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)Br)O 62a_100000725334_100009815848 [0,1,0,0,0,0|2,1,0]=4 6154 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)Br)O 62a_100009815848_100000725334 [0,1,0,0,0,0|2,1,0]=4 6155 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)Cl)O 62a_100009815848_100000721234 [0,1,0,0,0,0|2,1,0]=4 6156 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)F)Br 62a_100009815848_100010134343 [0,1,0,0,0,0|1,2,0]=4 6157 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)F)Br 62a_100010134343_100009815848 [0,1,0,0,0,0|1,2,0]=4 6158 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)F)O 62a_100009815848_100009819667 [0,1,0,0,0,0|2,1,0]=4 6159 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)F)O 62a_100009819667_100009815848 [0,1,0,0,0,0|2,1,0]=4 6160 B14R1.833 OC[C@H](O)CSc1ccc(c(n1)O)F 62a_100009815848_100010729010 [0,1,0,0,0,0|1,2,0]=4 6161 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)Br)Cl 62a_100009815848_100010172733 [0,1,0,0,0,0|1,1,0]=3 6162 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100009815848 [0,1,0,0,0,0|1,1,0]=3 6163 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)Cl)O 62a_100009815848_100010238531 [0,1,0,0,0,0|2,1,0]=4 6164 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)Cl)O 62a_100010238531_100009815848 [0,1,0,0,0,0|2,1,0]=4 6165 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)F)F 62a_100009815848_100009817721 [0,1,0,0,0,0|1,2,0]=4 6166 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)F)F 62a_100009817721_100009815848 [0,1,0,0,0,0|1,2,0]=4 6167 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)O)F 62a_100009815848_100009819871 [0,1,0,0,0,0|1,2,0]=4 6168 B14R1.833 OC[C@H](O)CSc1cnc(c(c1)O)F 62a_100009819871_100009815848 [0,1,0,0,0,0|1,2,0]=4 6169 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100015614560 [0,1,0,0,0,0|2,1,0]=4 6170 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)Br 34a_100011306057_100015614560 [0,1,0,0,0,0|2,1,0]=4 6171 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)Br 7a_100011306057_100015614560 [0,1,0,0,0,0|2,1,0]=4 6172 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100015614560 [0,1,0,0,0,0|2,0,0]=3 6173 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100015614560 [0,1,0,0,0,0|2,0,0]=3 6174 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)F 2230a_100000760356_100015614560 [0,1,0,0,0,0|2,1,0]=4 6175 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)F 34a_100000760356_100015614560 [0,1,0,0,0,0|2,1,0]=4 6176 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)F 7a_100000760356_100015614560 [0,1,0,0,0,0|2,1,0]=4 6177 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Br)I 34a_100000750458_100015614560 [0,1,0,0,0,0|2,1,0]=4 6178 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100015614560 [0,1,0,0,0,0|2,1,0]=4 6179 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100015614560 [0,1,0,0,0,0|2,1,0]=4 6180 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100015614560 [0,1,0,0,0,0|2,1,0]=4 6181 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100015614560 [0,1,0,0,0,0|2,0,0]=3 6182 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015614560 [0,1,0,0,0,0|2,0,0]=3 6183 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100015614560 [0,1,0,0,0,0|2,1,0]=4 6184 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)F 34a_100000211060_100015614560 [0,1,0,0,0,0|2,1,0]=4 6185 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)F 7a_100000211060_100015614560 [0,1,0,0,0,0|2,1,0]=4 6186 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)Cl)I 34a_100000761885_100015614560 [0,1,0,0,0,0|2,1,0]=4 6187 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)Br 2230a_100000759894_100015614560 [0,1,0,0,0,0|2,1,0]=4 6188 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)Br 34a_100000759894_100015614560 [0,1,0,0,0,0|2,1,0]=4 6189 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)Br 7a_100000759894_100015614560 [0,1,0,0,0,0|2,1,0]=4 6190 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100015614560 [0,1,0,0,0,0|2,0,0]=3 6191 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)Cl 34a_100000739366_100015614560 [0,1,0,0,0,0|2,0,0]=3 6192 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)Cl 7a_100000739366_100015614560 [0,1,0,0,0,0|2,0,0]=3 6193 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)F 2230a_100000210724_100015614560 [0,1,0,0,0,0|2,1,0]=4 6194 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)F 34a_100000210724_100015614560 [0,1,0,0,0,0|2,1,0]=4 6195 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)F 7a_100000210724_100015614560 [0,1,0,0,0,0|2,1,0]=4 6196 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)I 34a_100011356925_100015614560 [0,1,0,0,0,0|2,1,0]=4 6197 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)F)I 7a_100011356925_100015614560 [0,1,0,0,0,0|2,1,0]=4 6198 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)I)Br 34a_100000750459_100015614560 [0,1,0,0,0,0|2,1,0]=4 6199 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)I)Cl 34a_100012360549_100015614560 [0,1,0,0,0,0|2,0,0]=3 6200 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)I)F 34a_114828291077_100015614560 [0,1,0,0,0,0|2,1,0]=4 6201 B14R1.833 O[C@@H](CF)CNc1ccc(c(c1)I)F 7a_114828291077_100015614560 [0,1,0,0,0,0|2,1,0]=4 6202 B14R1.833 O[C@@H](CF)COc1cc(c(cn1)Br)Cl 34a_100010369989_100015614560 [0,1,0,0,0,0|2,1,0]=4 6203 B14R1.833 O[C@@H](CF)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100015614560 [0,1,0,0,0,0|2,0,0]=3 6204 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Br)Cl 34a_100011933957_100015614560 [0,1,0,0,0,0|1,0,0]=2 6205 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Br)Cl 7a_100011933957_100015614560 [0,1,0,0,0,0|1,0,0]=2 6206 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Br)F 34a_100000693481_100015614560 [0,1,0,0,0,0|1,1,0]=3 6207 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Br)F 7a_100000693481_100015614560 [0,1,0,0,0,0|1,1,0]=3 6208 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Br)I 34a_100000701344_100015614560 [0,1,0,0,0,0|1,1,0]=3 6209 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Br)I 7a_100000701344_100015614560 [0,1,0,0,0,0|1,1,0]=3 6210 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)Br 34a_100011215161_100015614560 [0,1,0,0,0,0|1,1,0]=3 6211 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)Br 7a_100011215161_100015614560 [0,1,0,0,0,0|1,1,0]=3 6212 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100015614560 [0,1,0,0,0,0|1,0,0]=2 6213 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100015614560 [0,1,0,0,0,0|1,0,0]=2 6214 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)F 34a_100000211030_100015614560 [0,1,0,0,0,0|1,1,0]=3 6215 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)F 7a_100000211030_100015614560 [0,1,0,0,0,0|1,1,0]=3 6216 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)I 34a_100000047559_100015614560 [0,1,0,0,0,0|1,1,0]=3 6217 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)Cl)I 7a_100000047559_100015614560 [0,1,0,0,0,0|1,1,0]=3 6218 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)Br 34a_100000755031_100015614560 [0,1,0,0,0,0|1,1,0]=3 6219 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)Br 7a_100000755031_100015614560 [0,1,0,0,0,0|1,1,0]=3 6220 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)Cl 34a_100000691581_100015614560 [0,1,0,0,0,0|1,0,0]=2 6221 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)Cl 7a_100000691581_100015614560 [0,1,0,0,0,0|1,0,0]=2 6222 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)F 34a_100000181275_100015614560 [0,1,0,0,0,0|1,1,0]=3 6223 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)F 7a_100000181275_100015614560 [0,1,0,0,0,0|1,1,0]=3 6224 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)I 34a_100009990212_100015614560 [0,1,0,0,0,0|1,1,0]=3 6225 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)F)I 7a_100009990212_100015614560 [0,1,0,0,0,0|1,1,0]=3 6226 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)I)Br 34a_100012339312_100015614560 [0,1,0,0,0,0|1,1,0]=3 6227 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)I)Br 7a_100012339312_100015614560 [0,1,0,0,0,0|1,1,0]=3 6228 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)I)Cl 34a_100000049588_100015614560 [0,1,0,0,0,0|1,0,0]=2 6229 B14R1.833 O[C@@H](CF)COc1ccc(c(c1)I)Cl 7a_100000049588_100015614560 [0,1,0,0,0,0|1,0,0]=2 6230 B14R1.833 O[C@@H](CF)COc1ccc(c(n1)F)Br 34a_100009879308_100015614560 [0,1,0,0,0,0|2,1,0]=4 6231 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Br)Cl 34a_100012356455_100015614560 [0,1,0,0,0,0|2,0,0]=3 6232 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Br)Cl 7a_100012356455_100015614560 [0,1,0,0,0,0|2,0,0]=3 6233 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Br)F 34a_100009817267_100015614560 [0,1,0,0,0,0|2,1,0]=4 6234 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Br)F 7a_100009817267_100015614560 [0,1,0,0,0,0|2,1,0]=4 6235 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Cl)Br 34a_100010209684_100015614560 [0,1,0,0,0,0|2,1,0]=4 6236 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Cl)Br 7a_100010209684_100015614560 [0,1,0,0,0,0|2,1,0]=4 6237 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100015614560 [0,1,0,0,0,0|2,0,0]=3 6238 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100015614560 [0,1,0,0,0,0|2,0,0]=3 6239 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Cl)F 34a_100000087088_100015614560 [0,1,0,0,0,0|2,1,0]=4 6240 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)Cl)F 7a_100000087088_100015614560 [0,1,0,0,0,0|2,1,0]=4 6241 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)F)Cl 34a_100000063512_100015614560 [0,1,0,0,0,0|2,0,0]=3 6242 B14R1.833 O[C@@H](CF)COc1cnc(c(c1)F)Cl 7a_100000063512_100015614560 [0,1,0,0,0,0|2,0,0]=3 6243 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Br)Br 62a_100012356285_100015614560 [0,1,0,0,0,0|1,2,0]=4 6244 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Br)Br 62a_100015614560_100012356285 [0,1,0,0,0,0|1,2,0]=4 6245 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100015614560 [0,1,0,0,0,0|1,1,0]=3 6246 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Br)Cl 62a_100015614560_100012353702 [0,1,0,0,0,0|1,1,0]=3 6247 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Br)F 62a_100012047266_100015614560 [0,1,0,0,0,0|1,2,0]=4 6248 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Br)F 62a_100015614560_100012047266 [0,1,0,0,0,0|1,2,0]=4 6249 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100015614560 [0,1,0,0,0,0|1,2,0]=4 6250 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Cl)Br 62a_100015614560_100012047281 [0,1,0,0,0,0|1,2,0]=4 6251 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100015614560 [0,1,0,0,0,0|1,1,0]=3 6252 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Cl)Cl 62a_100015614560_100011214914 [0,1,0,0,0,0|1,1,0]=3 6253 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Cl)F 62a_100011215976_100015614560 [0,1,0,0,0,0|1,2,0]=4 6254 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)Cl)F 62a_100015614560_100011215976 [0,1,0,0,0,0|1,2,0]=4 6255 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)F)Br 62a_100000685389_100015614560 [0,1,0,0,0,0|1,2,0]=4 6256 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)F)Br 62a_100015614560_100000685389 [0,1,0,0,0,0|1,2,0]=4 6257 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)F)Cl 62a_100011216805_100015614560 [0,1,0,0,0,0|1,1,0]=3 6258 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)F)Cl 62a_100015614560_100011216805 [0,1,0,0,0,0|1,1,0]=3 6259 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)F)F 62a_100000703953_100015614560 [0,1,0,0,0,0|1,2,0]=4 6260 B14R1.833 O[C@@H](CF)CSc1ccc(c(c1)F)F 62a_100015614560_100000703953 [0,1,0,0,0,0|1,2,0]=4 6261 B14R1.833 O[C@@H](CF)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100015614560 [0,1,0,0,0,0|2,1,0]=4 6262 B14R1.833 O[C@@H](CF)CSc1cnc(c(c1)Br)Cl 62a_100015614560_100010172733 [0,1,0,0,0,0|2,1,0]=4 6263 B14R1.833 Oc1cc(ccc1Br)SC[C@@H](O)CF 62a_100012356990_100015614560 [0,1,0,0,0,0|1,2,0]=4 6264 B14R1.833 Oc1cc(ccc1Br)SC[C@@H](O)CF 62a_100015614560_100012356990 [0,1,0,0,0,0|1,2,0]=4 6265 B14R1.833 Oc1cc(ccc1Cl)NC[C@@H](O)CF 34a_100011934209_100015614560 [0,1,0,0,0,0|2,0,0]=3 6266 B14R1.833 Oc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100011356854_100015614560 [0,1,0,0,0,0|1,1,0]=3 6267 B14R1.833 Oc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100015614560_100011356854 [0,1,0,0,0,0|1,1,0]=3 6268 B14R1.833 Oc1cc(ccc1F)NC[C@@H](O)CF 34a_100012017398_100015614560 [0,1,0,0,0,0|2,1,0]=4 6269 B14R1.833 Oc1cc(ccc1F)NC[C@@H](O)CF 7a_100012017398_100015614560 [0,1,0,0,0,0|2,1,0]=4 6270 B14R1.833 Oc1cc(ccc1F)SC[C@@H](O)CF 62a_100000686035_100015614560 [0,1,0,0,0,0|1,2,0]=4 6271 B14R1.833 Oc1cc(ccc1F)SC[C@@H](O)CF 62a_100015614560_100000686035 [0,1,0,0,0,0|1,2,0]=4 6272 B14R1.833 Oc1ccc(cc1Br)NC[C@@H](O)CF 34a_100011534360_100015614560 [0,1,0,0,0,0|3,0,0]=4 6273 B14R1.833 Oc1ccc(cc1Br)SC[C@@H](O)CF 62a_100012361655_100015614560 [0,1,0,0,0,0|2,1,0]=4 6274 B14R1.833 Oc1ccc(cc1Br)SC[C@@H](O)CF 62a_100015614560_100012361655 [0,1,0,0,0,0|2,1,0]=4 6275 B14R1.833 Oc1ccc(cc1Cl)NC[C@@H](O)CF 34a_100000744943_100015614560 [0,1,0,0,0,0|3,0,0]=4 6276 B14R1.833 Oc1ccc(cc1Cl)SC[C@@H](O)CF 62a_100012360047_100015614560 [0,1,0,0,0,0|2,1,0]=4 6277 B14R1.833 Oc1ccc(cc1Cl)SC[C@@H](O)CF 62a_100015614560_100012360047 [0,1,0,0,0,0|2,1,0]=4 6278 B14R1.833 Oc1ccc(cc1F)NC[C@@H](O)CF 34a_100011220035_100015614560 [0,1,0,0,0,0|3,0,0]=4 6279 B14R1.833 Oc1ccc(cc1F)NC[C@@H](O)CF 7a_100011220035_100015614560 [0,1,0,0,0,0|3,0,0]=4 6280 B14R1.833 Oc1ccc(cc1F)SC[C@@H](O)CF 62a_100000185481_100015614560 [0,1,0,0,0,0|2,1,0]=4 6281 B14R1.833 Oc1ccc(cc1F)SC[C@@H](O)CF 62a_100015614560_100000185481 [0,1,0,0,0,0|2,1,0]=4 6282 B14R1.833 Oc1ccc(cc1O)NC[C@@H](O)CF 34a_100102946323_100015614560 [0,1,0,0,0,0|3,0,0]=4 6283 B14R1.833 Oc1ccc(cc1O)SC[C@@H](O)CF 62a_100015614560_100009813601 [0,1,0,0,0,0|2,1,0]=4 6284 B14R2.946 O=C1CCC1Oc2ccc(cc2)Cl 34a_100000210216_100009892977 [0,0,0,1,0,0|1,0,2]=4 6285 B14R2.946 O=C1CCC1Oc2ccc(cc2)Cl 7a_100000210216_100009892977 [0,0,0,1,0,0|1,0,2]=4 6286 B14R2.948 CC1(CO1)CNc2ccc(cc2)Br 34a_100000210018_100000760498 [0,0,0,1,0,0|2,1,0]=4 6287 B14R2.948 CC1(CO1)CNc2ccc(cc2)Cl 34a_100000210052_100000760498 [0,0,0,1,0,0|2,0,0]=3 6288 B14R2.948 CC1(CO1)CNc2ccc(cc2)F 34a_100000185862_100000760498 [0,0,0,1,0,0|2,1,0]=4 6289 B14R2.948 CC1(CO1)CNc2ccc(cc2)I 34a_100000185761_100000760498 [0,0,0,1,0,0|2,1,0]=4 6290 B14R2.948 CC1(CO1)CNc2ccc(cc2)O 34a_100000185829_100000760498 [0,0,0,1,0,0|3,0,0]=4 6291 B14R2.948 CC1(CO1)COc2ccc(=O)[nH]c2 34a_100000075641_100000760498 [0,0,0,1,0,0|3,0,0]=4 6292 B14R2.948 CC1(CO1)COc2ccc(cc2)Br 34a_100000185759_100000760498 [0,0,0,1,0,0|1,1,0]=3 6293 B14R2.948 CC1(CO1)COc2ccc(cc2)Cl 34a_100000210216_100000760498 [0,0,0,1,0,0|1,0,0]=2 6294 B14R2.948 CC1(CO1)COc2ccc(cc2)F 34a_100000210339_100000760498 [0,0,0,1,0,0|1,1,0]=3 6295 B14R2.948 CC1(CO1)COc2ccc(cc2)I 34a_100000212066_100000760498 [0,0,0,1,0,0|1,1,0]=3 6296 B14R2.948 CC1(CO1)COc2ccc(cc2)N 34a_100000185829_100000760498 [0,0,0,1,0,0|2,0,0]=3 6297 B14R2.948 CC1(CO1)COc2ccc(cn2)Cl 34a_100011215309_100000760498 [0,0,0,1,0,0|2,0,0]=3 6298 B14R2.948 CC1(CO1)COc2ccc(cn2)F 34a_100000742473_100000760498 [0,0,0,1,0,0|2,1,0]=4 6299 B14R2.948 CC1(CO1)COc2ccc(cn2)N 34a_100000729260_100000760498 [0,0,0,1,0,0|3,0,0]=4 6300 B14R2.948 CC1(CO1)COc2ccc(nc2)Br 34a_100000685995_100000760498 [0,0,0,1,0,0|2,1,0]=4 6301 B14R2.948 CC1(CO1)COc2ccc(nc2)Cl 34a_100000744096_100000760498 [0,0,0,1,0,0|2,0,0]=3 6302 B14R2.948 CC1(CO1)COc2ccc(nc2)F 34a_100000688820_100000760498 [0,0,0,1,0,0|2,1,0]=4 6303 B14R2.948 CC1(CO1)COc2ccc(nc2)I 34a_100000687607_100000760498 [0,0,0,1,0,0|2,1,0]=4 6304 B14R2.948 CC1(CO1)COc2ccc(nc2)N 34a_100015188713_100000760498 [0,0,0,1,0,0|3,0,0]=4 6305 B14R2.948 CC1(CO1)COc2cnc(cn2)Cl 34a_100015839800_100000760498 [0,0,0,1,0,0|3,0,0]=4 6306 B14R2.948 CC1(CO1)COc2cnc(nc2)Cl 34a_100000092845_100000760498 [0,0,0,1,0,0|3,0,0]=4 6307 B14R2.948 CC1(CO1)CSc2ccc(cc2)Br 62a_100000752885_100000760498 [0,0,0,1,0,0|1,2,0]=4 6308 B14R2.948 CC1(CO1)CSc2ccc(cc2)Br 62a_100000760498_100000752885 [0,0,0,1,0,0|1,2,0]=4 6309 B14R2.948 CC1(CO1)CSc2ccc(cc2)Cl 62a_100000755918_100000760498 [0,0,0,1,0,0|1,1,0]=3 6310 B14R2.948 CC1(CO1)CSc2ccc(cc2)Cl 62a_100000760498_100000755918 [0,0,0,1,0,0|1,1,0]=3 6311 B14R2.948 CC1(CO1)CSc2ccc(cc2)F 62a_100000211213_100000760498 [0,0,0,1,0,0|1,2,0]=4 6312 B14R2.948 CC1(CO1)CSc2ccc(cc2)F 62a_100000760498_100000211213 [0,0,0,1,0,0|1,2,0]=4 6313 B14R2.948 CC1(CO1)CSc2ccc(cc2)N 62a_100000185761_100000760498 [0,0,0,1,0,0|2,1,0]=4 6314 B14R2.948 CC1(CO1)CSc2ccc(cc2)N 62a_100000760498_100000185761 [0,0,0,1,0,0|2,1,0]=4 6315 B14R2.948 CC1(CO1)CSc2ccc(cc2)O 62a_100000760498_100000185759 [0,0,0,1,0,0|2,1,0]=4 6316 B14R2.948 CC1(CO1)CSc2ccc(cn2)Cl 62a_100000760498_100011356976 [0,0,0,1,0,0|2,1,0]=4 6317 B14R2.948 CC1(CO1)CSc2ccc(cn2)Cl 62a_100011356976_100000760498 [0,0,0,1,0,0|2,1,0]=4 6318 B14R2.948 CC1(CO1)CSc2ccc(nc2)Cl 62a_100000034144_100000760498 [0,0,0,1,0,0|2,1,0]=4 6319 B14R2.948 CC1(CO1)CSc2ccc(nc2)Cl 62a_100000760498_100000034144 [0,0,0,1,0,0|2,1,0]=4 6320 B14R2.948 Cc1ccc(cc1)NCC2(CO2)C 34a_100000124888_100000760498 [0,0,0,1,0,0|3,0,0]=4 6321 B14R2.948 Cc1ccc(cc1)OCC2(CO2)C 34a_100000210336_100000760498 [0,0,0,1,0,0|2,0,0]=3 6322 B14R2.948 Cc1ccc(cc1)SCC2(CO2)C 62a_100000186775_100000760498 [0,0,0,1,0,0|2,1,0]=4 6323 B14R2.948 Cc1ccc(cc1)SCC2(CO2)C 62a_100000760498_100000186775 [0,0,0,1,0,0|2,1,0]=4 6324 B14R2.948 Cc1ccc(cn1)OCC2(CO2)C 34a_100000745506_100000760498 [0,0,0,1,0,0|3,0,0]=4 6325 B14R2.948 Cc1ccc(nc1)OCC2(CO2)C 34a_100000759353_100000760498 [0,0,0,1,0,0|3,0,0]=4 6326 B14R2.10626 Brc1ccc(cc1)NCC2CCO2 2230a_100000210018_100000103362 [0,0,0,1,0,0|2,1,0]=4 6327 B14R2.10626 Brc1ccc(cc1)NCC2CCO2 34a_100000210018_100000103362 [0,0,0,1,0,0|2,1,0]=4 6328 B14R2.10626 Brc1ccc(cc1)NCC2COC2 2230a_100000210018_100010264016 [0,0,0,1,0,0|2,1,0]=4 6329 B14R2.10626 Brc1ccc(cc1)NCC2COC2 34a_100000210018_100010264016 [0,0,0,1,0,0|2,1,0]=4 6330 B14R2.10626 Brc1ccc(cc1)OCC2CCC2 34a_100000185759_100000763275 [0,0,0,1,0,0|2,1,0]=4 6331 B14R2.10626 Brc1ccc(cc1)OCC2CCC2 7a_100000185759_100000763275 [0,0,0,1,0,0|2,1,0]=4 6332 B14R2.10626 Brc1ccc(cc1)OCC2CCO2 34a_100000185759_100000103362 [0,0,0,1,0,0|1,1,0]=3 6333 B14R2.10626 Brc1ccc(cc1)OCC2CCO2 7a_100000185759_100000103362 [0,0,0,1,0,0|1,1,0]=3 6334 B14R2.10626 Brc1ccc(cc1)OCC2COC2 34a_100000185759_100010264016 [0,0,0,1,0,0|1,1,0]=3 6335 B14R2.10626 Brc1ccc(cc1)OCC2COC2 7a_100000185759_100010264016 [0,0,0,1,0,0|1,1,0]=3 6336 B14R2.10626 Brc1ccc(cc1)SCC2CCO2 62a_100000103362_100000752885 [0,0,0,1,0,0|1,2,0]=4 6337 B14R2.10626 Brc1ccc(cc1)SCC2CCO2 62a_100000752885_100000103362 [0,0,0,1,0,0|1,2,0]=4 6338 B14R2.10626 Brc1ccc(cc1)SCC2COC2 62a_100000752885_100010264016 [0,0,0,1,0,0|1,2,0]=4 6339 B14R2.10626 Brc1ccc(cc1)SCC2COC2 62a_100010264016_100000752885 [0,0,0,1,0,0|1,2,0]=4 6340 B14R2.10626 Brc1ccc(cn1)OCC2CCO2 34a_100000685995_100000103362 [0,0,0,1,0,0|2,1,0]=4 6341 B14R2.10626 Brc1ccc(cn1)OCC2CCO2 7a_100000685995_100000103362 [0,0,0,1,0,0|2,1,0]=4 6342 B14R2.10626 Brc1ccc(cn1)OCC2COC2 34a_100000685995_100010264016 [0,0,0,1,0,0|2,1,0]=4 6343 B14R2.10626 Brc1ccc(cn1)OCC2COC2 7a_100000685995_100010264016 [0,0,0,1,0,0|2,1,0]=4 6344 B14R2.10626 Cc1ccc(cc1)NCC2CCO2 34a_100000124888_100000103362 [0,0,0,1,0,0|3,0,0]=4 6345 B14R2.10626 Cc1ccc(cc1)NCC2COC2 34a_100000124888_100010264016 [0,0,0,1,0,0|3,0,0]=4 6346 B14R2.10626 Cc1ccc(cc1)OCC2CCC2 34a_100000210336_100000763275 [0,0,0,1,0,0|3,0,0]=4 6347 B14R2.10626 Cc1ccc(cc1)OCC2CCC2 7a_100000210336_100000763275 [0,0,0,1,0,0|3,0,0]=4 6348 B14R2.10626 Cc1ccc(cc1)OCC2CCO2 34a_100000210336_100000103362 [0,0,0,1,0,0|2,0,0]=3 6349 B14R2.10626 Cc1ccc(cc1)OCC2CCO2 7a_100000210336_100000103362 [0,0,0,1,0,0|2,0,0]=3 6350 B14R2.10626 Cc1ccc(cc1)OCC2COC2 34a_100000210336_100010264016 [0,0,0,1,0,0|2,0,0]=3 6351 B14R2.10626 Cc1ccc(cc1)OCC2COC2 7a_100000210336_100010264016 [0,0,0,1,0,0|2,0,0]=3 6352 B14R2.10626 Cc1ccc(cc1)SCC2CCO2 62a_100000103362_100000186775 [0,0,0,1,0,0|2,1,0]=4 6353 B14R2.10626 Cc1ccc(cc1)SCC2CCO2 62a_100000186775_100000103362 [0,0,0,1,0,0|2,1,0]=4 6354 B14R2.10626 Cc1ccc(cc1)SCC2COC2 62a_100000186775_100010264016 [0,0,0,1,0,0|2,1,0]=4 6355 B14R2.10626 Cc1ccc(cc1)SCC2COC2 62a_100010264016_100000186775 [0,0,0,1,0,0|2,1,0]=4 6356 B14R2.10626 Cc1ccc(cn1)OCC2CCO2 34a_100000745506_100000103362 [0,0,0,1,0,0|3,0,0]=4 6357 B14R2.10626 Cc1ccc(cn1)OCC2CCO2 7a_100000745506_100000103362 [0,0,0,1,0,0|3,0,0]=4 6358 B14R2.10626 Cc1ccc(cn1)OCC2COC2 34a_100000745506_100010264016 [0,0,0,1,0,0|3,0,0]=4 6359 B14R2.10626 Cc1ccc(cn1)OCC2COC2 7a_100000745506_100010264016 [0,0,0,1,0,0|3,0,0]=4 6360 B14R2.10626 Cc1ccc(nc1)OCC2CCO2 34a_100000759353_100000103362 [0,0,0,1,0,0|3,0,0]=4 6361 B14R2.10626 Cc1ccc(nc1)OCC2COC2 34a_100000759353_100010264016 [0,0,0,1,0,0|3,0,0]=4 6362 B14R2.10626 Clc1ccc(cc1)CNC2COC2 207a_100016991112_100000189385 [0,0,0,1,0,0|3,0,0]=4 6363 B14R2.10626 Clc1ccc(cc1)CNC2COC2 2230a_100016991112_100000694040 [0,0,0,1,0,0|3,0,0]=4 6364 B14R2.10626 Clc1ccc(cc1)CNC2COC2 270004a_100016991112_100000189385 [0,0,0,1,0,0|3,0,0]=4 6365 B14R2.10626 Clc1ccc(cc1)CNC2COC2 34a_100000174871_100009818527 [0,0,0,1,0,0|3,0,0]=4 6366 B14R2.10626 Clc1ccc(cc1)COC2COC2 34a_100000211118_100009818527 [0,0,0,1,0,0|3,0,0]=4 6367 B14R2.10626 Clc1ccc(cc1)COC2COC2 7a_100000211118_100009818527 [0,0,0,1,0,0|3,0,0]=4 6368 B14R2.10626 Clc1ccc(cc1)CSC2COC2 62a_100000187161_100009818527 [0,0,0,1,0,0|3,0,0]=4 6369 B14R2.10626 Clc1ccc(cc1)NCC2CCC2 2230a_100000210052_100000763275 [0,0,0,1,0,0|3,0,0]=4 6370 B14R2.10626 Clc1ccc(cc1)NCC2CCC2 34a_100000210052_100000763275 [0,0,0,1,0,0|3,0,0]=4 6371 B14R2.10626 Clc1ccc(cc1)NCC2CCO2 2230a_100000210052_100000103362 [0,0,0,1,0,0|2,0,0]=3 6372 B14R2.10626 Clc1ccc(cc1)NCC2CCO2 34a_100000210052_100000103362 [0,0,0,1,0,0|2,0,0]=3 6373 B14R2.10626 Clc1ccc(cc1)NCC2COC2 2230a_100000210052_100010264016 [0,0,0,1,0,0|2,0,0]=3 6374 B14R2.10626 Clc1ccc(cc1)NCC2COC2 34a_100000210052_100010264016 [0,0,0,1,0,0|2,0,0]=3 6375 B14R2.10626 Clc1ccc(cc1)OCC2CCC2 34a_100000210216_100000763275 [0,0,0,1,0,0|2,0,0]=3 6376 B14R2.10626 Clc1ccc(cc1)OCC2CCC2 7a_100000210216_100000763275 [0,0,0,1,0,0|2,0,0]=3 6377 B14R2.10626 Clc1ccc(cc1)OCC2CCO2 34a_100000210216_100000103362 [0,0,0,1,0,0|1,0,0]=2 6378 B14R2.10626 Clc1ccc(cc1)OCC2CCO2 7a_100000210216_100000103362 [0,0,0,1,0,0|1,0,0]=2 6379 B14R2.10626 Clc1ccc(cc1)OCC2COC2 34a_100000210216_100010264016 [0,0,0,1,0,0|1,0,0]=2 6380 B14R2.10626 Clc1ccc(cc1)OCC2COC2 7a_100000210216_100010264016 [0,0,0,1,0,0|1,0,0]=2 6381 B14R2.10626 Clc1ccc(cc1)SCC2CCC2 62a_100000755918_100000763275 [0,0,0,1,0,0|2,1,0]=4 6382 B14R2.10626 Clc1ccc(cc1)SCC2CCC2 62a_100000763275_100000755918 [0,0,0,1,0,0|2,1,0]=4 6383 B14R2.10626 Clc1ccc(cc1)SCC2CCO2 62a_100000103362_100000755918 [0,0,0,1,0,0|1,1,0]=3 6384 B14R2.10626 Clc1ccc(cc1)SCC2CCO2 62a_100000755918_100000103362 [0,0,0,1,0,0|1,1,0]=3 6385 B14R2.10626 Clc1ccc(cc1)SCC2COC2 62a_100000755918_100010264016 [0,0,0,1,0,0|1,1,0]=3 6386 B14R2.10626 Clc1ccc(cc1)SCC2COC2 62a_100010264016_100000755918 [0,0,0,1,0,0|1,1,0]=3 6387 B14R2.10626 Clc1ccc(cn1)OCC2CCC2 34a_100000744096_100000763275 [0,0,0,1,0,0|3,0,0]=4 6388 B14R2.10626 Clc1ccc(cn1)OCC2CCC2 7a_100000744096_100000763275 [0,0,0,1,0,0|3,0,0]=4 6389 B14R2.10626 Clc1ccc(cn1)OCC2CCO2 34a_100000744096_100000103362 [0,0,0,1,0,0|2,0,0]=3 6390 B14R2.10626 Clc1ccc(cn1)OCC2CCO2 7a_100000744096_100000103362 [0,0,0,1,0,0|2,0,0]=3 6391 B14R2.10626 Clc1ccc(cn1)OCC2COC2 34a_100000744096_100010264016 [0,0,0,1,0,0|2,0,0]=3 6392 B14R2.10626 Clc1ccc(cn1)OCC2COC2 7a_100000744096_100010264016 [0,0,0,1,0,0|2,0,0]=3 6393 B14R2.10626 Clc1ccc(cn1)SCC2CCO2 62a_100000034144_100000103362 [0,0,0,1,0,0|2,1,0]=4 6394 B14R2.10626 Clc1ccc(cn1)SCC2CCO2 62a_100000103362_100000034144 [0,0,0,1,0,0|2,1,0]=4 6395 B14R2.10626 Clc1ccc(cn1)SCC2COC2 62a_100000034144_100010264016 [0,0,0,1,0,0|2,1,0]=4 6396 B14R2.10626 Clc1ccc(cn1)SCC2COC2 62a_100010264016_100000034144 [0,0,0,1,0,0|2,1,0]=4 6397 B14R2.10626 Clc1ccc(nc1)OCC2CCC2 34a_100011215309_100000763275 [0,0,0,1,0,0|3,0,0]=4 6398 B14R2.10626 Clc1ccc(nc1)OCC2CCO2 34a_100011215309_100000103362 [0,0,0,1,0,0|2,0,0]=3 6399 B14R2.10626 Clc1ccc(nc1)OCC2COC2 34a_100011215309_100010264016 [0,0,0,1,0,0|2,0,0]=3 6400 B14R2.10626 Clc1ccc(nc1)SCC2CCO2 62a_100000103362_100011356976 [0,0,0,1,0,0|2,1,0]=4 6401 B14R2.10626 Clc1ccc(nc1)SCC2CCO2 62a_100011356976_100000103362 [0,0,0,1,0,0|2,1,0]=4 6402 B14R2.10626 Clc1ccc(nc1)SCC2COC2 62a_100010264016_100011356976 [0,0,0,1,0,0|2,1,0]=4 6403 B14R2.10626 Clc1ccc(nc1)SCC2COC2 62a_100011356976_100010264016 [0,0,0,1,0,0|2,1,0]=4 6404 B14R2.10626 Clc1cnc(cn1)OCC2CCO2 34a_100015839800_100000103362 [0,0,0,1,0,0|3,0,0]=4 6405 B14R2.10626 Clc1cnc(cn1)OCC2COC2 34a_100015839800_100010264016 [0,0,0,1,0,0|3,0,0]=4 6406 B14R2.10626 Clc1ncc(cn1)OCC2CCO2 34a_100000092845_100000103362 [0,0,0,1,0,0|3,0,0]=4 6407 B14R2.10626 Clc1ncc(cn1)OCC2CCO2 7a_100000092845_100000103362 [0,0,0,1,0,0|3,0,0]=4 6408 B14R2.10626 Clc1ncc(cn1)OCC2COC2 34a_100000092845_100010264016 [0,0,0,1,0,0|3,0,0]=4 6409 B14R2.10626 Clc1ncc(cn1)OCC2COC2 7a_100000092845_100010264016 [0,0,0,1,0,0|3,0,0]=4 6410 B14R2.10626 Fc1ccc(cc1)NCC2CCO2 34a_100000185862_100000103362 [0,0,0,1,0,0|2,1,0]=4 6411 B14R2.10626 Fc1ccc(cc1)NCC2COC2 34a_100000185862_100010264016 [0,0,0,1,0,0|2,1,0]=4 6412 B14R2.10626 Fc1ccc(cc1)OCC2CCC2 34a_100000210339_100000763275 [0,0,0,1,0,0|2,1,0]=4 6413 B14R2.10626 Fc1ccc(cc1)OCC2CCO2 34a_100000210339_100000103362 [0,0,0,1,0,0|1,1,0]=3 6414 B14R2.10626 Fc1ccc(cc1)OCC2COC2 34a_100000210339_100010264016 [0,0,0,1,0,0|1,1,0]=3 6415 B14R2.10626 Fc1ccc(cc1)SCC2CCO2 62a_100000103362_100000211213 [0,0,0,1,0,0|1,2,0]=4 6416 B14R2.10626 Fc1ccc(cc1)SCC2CCO2 62a_100000211213_100000103362 [0,0,0,1,0,0|1,2,0]=4 6417 B14R2.10626 Fc1ccc(cc1)SCC2COC2 62a_100000211213_100010264016 [0,0,0,1,0,0|1,2,0]=4 6418 B14R2.10626 Fc1ccc(cc1)SCC2COC2 62a_100010264016_100000211213 [0,0,0,1,0,0|1,2,0]=4 6419 B14R2.10626 Fc1ccc(cn1)OCC2CCO2 34a_100000688820_100000103362 [0,0,0,1,0,0|2,1,0]=4 6420 B14R2.10626 Fc1ccc(cn1)OCC2CCO2 7a_100000688820_100000103362 [0,0,0,1,0,0|2,1,0]=4 6421 B14R2.10626 Fc1ccc(cn1)OCC2COC2 34a_100000688820_100010264016 [0,0,0,1,0,0|2,1,0]=4 6422 B14R2.10626 Fc1ccc(cn1)OCC2COC2 7a_100000688820_100010264016 [0,0,0,1,0,0|2,1,0]=4 6423 B14R2.10626 Fc1ccc(nc1)OCC2CCO2 34a_100000742473_100000103362 [0,0,0,1,0,0|2,1,0]=4 6424 B14R2.10626 Fc1ccc(nc1)OCC2COC2 34a_100000742473_100010264016 [0,0,0,1,0,0|2,1,0]=4 6425 B14R2.10626 Ic1ccc(cc1)NCC2CCO2 34a_100000185761_100000103362 [0,0,0,1,0,0|2,1,0]=4 6426 B14R2.10626 Ic1ccc(cc1)NCC2COC2 34a_100000185761_100010264016 [0,0,0,1,0,0|2,1,0]=4 6427 B14R2.10626 Ic1ccc(cc1)OCC2CCC2 34a_100000212066_100000763275 [0,0,0,1,0,0|2,1,0]=4 6428 B14R2.10626 Ic1ccc(cc1)OCC2CCC2 7a_100000212066_100000763275 [0,0,0,1,0,0|2,1,0]=4 6429 B14R2.10626 Ic1ccc(cc1)OCC2CCO2 34a_100000212066_100000103362 [0,0,0,1,0,0|1,1,0]=3 6430 B14R2.10626 Ic1ccc(cc1)OCC2CCO2 7a_100000212066_100000103362 [0,0,0,1,0,0|1,1,0]=3 6431 B14R2.10626 Ic1ccc(cc1)OCC2COC2 34a_100000212066_100010264016 [0,0,0,1,0,0|1,1,0]=3 6432 B14R2.10626 Ic1ccc(cc1)OCC2COC2 7a_100000212066_100010264016 [0,0,0,1,0,0|1,1,0]=3 6433 B14R2.10626 Ic1ccc(cn1)OCC2CCO2 34a_100000687607_100000103362 [0,0,0,1,0,0|2,1,0]=4 6434 B14R2.10626 Ic1ccc(cn1)OCC2CCO2 7a_100000687607_100000103362 [0,0,0,1,0,0|2,1,0]=4 6435 B14R2.10626 Ic1ccc(cn1)OCC2COC2 34a_100000687607_100010264016 [0,0,0,1,0,0|2,1,0]=4 6436 B14R2.10626 Ic1ccc(cn1)OCC2COC2 7a_100000687607_100010264016 [0,0,0,1,0,0|2,1,0]=4 6437 B14R2.10626 Nc1ccc(cc1)OCC2CCC2 34a_100000185829_100000763275 [0,0,0,1,0,0|3,0,0]=4 6438 B14R2.10626 Nc1ccc(cc1)OCC2CCO2 34a_100000185829_100000103362 [0,0,0,1,0,0|2,0,0]=3 6439 B14R2.10626 Nc1ccc(cc1)OCC2COC2 34a_100000185829_100010264016 [0,0,0,1,0,0|2,0,0]=3 6440 B14R2.10626 Nc1ccc(cc1)SCC2CCO2 62a_100000103362_100000185761 [0,0,0,1,0,0|2,1,0]=4 6441 B14R2.10626 Nc1ccc(cc1)SCC2CCO2 62a_100000185761_100000103362 [0,0,0,1,0,0|2,1,0]=4 6442 B14R2.10626 Nc1ccc(cc1)SCC2COC2 62a_100000185761_100010264016 [0,0,0,1,0,0|2,1,0]=4 6443 B14R2.10626 Nc1ccc(cc1)SCC2COC2 62a_100010264016_100000185761 [0,0,0,1,0,0|2,1,0]=4 6444 B14R2.10626 Nc1ccc(cn1)OCC2CCO2 34a_100015188713_100000103362 [0,0,0,1,0,0|3,0,0]=4 6445 B14R2.10626 Nc1ccc(cn1)OCC2CCO2 7a_100015188713_100000103362 [0,0,0,1,0,0|3,0,0]=4 6446 B14R2.10626 Nc1ccc(cn1)OCC2COC2 34a_100015188713_100010264016 [0,0,0,1,0,0|3,0,0]=4 6447 B14R2.10626 Nc1ccc(cn1)OCC2COC2 7a_100015188713_100010264016 [0,0,0,1,0,0|3,0,0]=4 6448 B14R2.10626 Nc1ccc(nc1)OCC2CCO2 34a_100000729260_100000103362 [0,0,0,1,0,0|3,0,0]=4 6449 B14R2.10626 Nc1ccc(nc1)OCC2COC2 34a_100000729260_100010264016 [0,0,0,1,0,0|3,0,0]=4 6450 B14R2.10626 O=c1ccc(c[nH]1)OCC2CCO2 34a_100000075641_100000103362 [0,0,0,1,0,0|3,0,0]=4 6451 B14R2.10626 O=c1ccc(c[nH]1)OCC2COC2 34a_100000075641_100010264016 [0,0,0,1,0,0|3,0,0]=4 6452 B14R2.10626 Oc1ccc(cc1)NCC2CCO2 34a_100000185829_100000103362 [0,0,0,1,0,0|3,0,0]=4 6453 B14R2.10626 Oc1ccc(cc1)NCC2COC2 34a_100000185829_100010264016 [0,0,0,1,0,0|3,0,0]=4 6454 B14R2.10626 Oc1ccc(cc1)SCC2CCO2 62a_100000103362_100000185759 [0,0,0,1,0,0|2,1,0]=4 6455 B14R2.10626 Oc1ccc(cc1)SCC2COC2 62a_100010264016_100000185759 [0,0,0,1,0,0|2,1,0]=4 6456 B12R1.26 Cc1cc(cs1)SCC(O)CO 62a_100000759034_100011219619 [0,0,0,0,1,0|2,1,0]=4 6457 B12R1.26 Cc1cc(cs1)SCC(O)CO 62a_100011219619_100000759034 [0,0,0,0,1,0|2,1,0]=4 6458 B12R1.26 Cc1cc(cs1)SC[C@@H](O)CO 62a_100000759034_100009815848 [0,0,0,0,1,0|2,1,0]=4 6459 B12R1.26 Cc1cc(cs1)SC[C@@H](O)CO 62a_100009815848_100000759034 [0,0,0,0,1,0|2,1,0]=4 6460 B12R1.26 Cc1ccc(s1)SCC(O)CO 62a_100000031368_100011219619 [0,0,0,0,1,0|2,1,0]=4 6461 B12R1.26 Cc1ccc(s1)SCC(O)CO 62a_100011219619_100000031368 [0,0,0,0,1,0|2,1,0]=4 6462 B12R1.26 Cc1ccc(s1)SC[C@@H](O)CO 62a_100000031368_100009815848 [0,0,0,0,1,0|2,1,0]=4 6463 B12R1.26 Cc1ccc(s1)SC[C@@H](O)CO 62a_100009815848_100000031368 [0,0,0,0,1,0|2,1,0]=4 6464 B12R1.26 Cc1csc(c1)SCC(O)CO 62a_100009876951_100011219619 [0,0,0,0,1,0|2,1,0]=4 6465 B12R1.26 Cc1csc(c1)SCC(O)CO 62a_100011219619_100009876951 [0,0,0,0,1,0|2,1,0]=4 6466 B12R1.26 Cc1csc(c1)SC[C@@H](O)CO 62a_100009815848_100009876951 [0,0,0,0,1,0|2,1,0]=4 6467 B12R1.26 Cc1csc(c1)SC[C@@H](O)CO 62a_100009876951_100009815848 [0,0,0,0,1,0|2,1,0]=4 6468 B12R1.26 Cn1cc(cn1)OCC(O)CO 34a_100000707646_100011219619 [0,0,0,0,1,0|3,0,0]=4 6469 B12R1.26 Cn1cc(cn1)OC[C@@H](O)CO 34a_100000707646_100009815848 [0,0,0,0,1,0|3,0,0]=4 6470 B12R1.26 Cn1ccc(n1)OCC(O)CO 34a_100012642153_100011219619 [0,0,0,0,1,0|3,0,0]=4 6471 B12R1.26 Cn1ccc(n1)OC[C@@H](O)CO 34a_100012642153_100009815848 [0,0,0,0,1,0|3,0,0]=4 6472 B12R1.26 OCC(O)CSc1ccc(s1)Br 62a_100010197418_100011219619 [0,0,0,0,1,0|1,2,0]=4 6473 B12R1.26 OCC(O)CSc1ccc(s1)Br 62a_100011219619_100010197418 [0,0,0,0,1,0|1,2,0]=4 6474 B12R1.26 OC[C@H](O)CSc1ccc(s1)Br 62a_100009815848_100010197418 [0,0,0,0,1,0|1,2,0]=4 6475 B12R1.26 OC[C@H](O)CSc1ccc(s1)Br 62a_100010197418_100009815848 [0,0,0,0,1,0|1,2,0]=4 6476 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,0,0,0,1,0|2,0,1]=4 6477 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,0,0,0,1,0|2,0,1]=4 6478 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,0,0,0,1,0|2,1,0]=4 6479 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,0,0,0,1,0|2,1,0]=4 6480 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,0,0,0,1,0|2,0,0]=3 6481 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,0,0,0,1,0|2,0,0]=3 6482 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,0,0,0,1,0|2,1,0]=4 6483 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,0,0,0,1,0|2,1,0]=4 6484 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,0,0,0,1,0|3,0,0]=4 6485 B12R1.49 CC(CO)Oc1ccc(=O)[nH]c1 34a_100000075641_100012180447 [0,0,0,0,1,0|3,0,0]=4 6486 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,0,0,0,1,0|1,1,0]=3 6487 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,0,0,0,1,0|1,1,0]=3 6488 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,0,0,0,1,0|1,0,0]=2 6489 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,0,0,0,1,0|1,0,0]=2 6490 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,0,0,0,1,0|1,1,0]=3 6491 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,0,0,0,1,0|1,1,0]=3 6492 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,0,0,0,1,0|1,1,0]=3 6493 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,0,0,0,1,0|2,0,0]=3 6494 B12R1.49 CC(CO)Oc1ccc(cn1)Cl 34a_100011215309_100012180447 [0,0,0,0,1,0|2,0,0]=3 6495 B12R1.49 CC(CO)Oc1ccc(cn1)F 34a_100000742473_100012180447 [0,0,0,0,1,0|2,1,0]=4 6496 B12R1.49 CC(CO)Oc1ccc(cn1)N 34a_100000729260_100012180447 [0,0,0,0,1,0|3,0,0]=4 6497 B12R1.49 CC(CO)Oc1ccc(nc1)Br 34a_100000685995_100012180447 [0,0,0,0,1,0|2,1,0]=4 6498 B12R1.49 CC(CO)Oc1ccc(nc1)Br 7a_100000685995_100012180447 [0,0,0,0,1,0|2,1,0]=4 6499 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 34a_100000744096_100012180447 [0,0,0,0,1,0|2,0,0]=3 6500 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 7a_100000744096_100012180447 [0,0,0,0,1,0|2,0,0]=3 6501 B12R1.49 CC(CO)Oc1ccc(nc1)F 34a_100000688820_100012180447 [0,0,0,0,1,0|2,1,0]=4 6502 B12R1.49 CC(CO)Oc1ccc(nc1)F 7a_100000688820_100012180447 [0,0,0,0,1,0|2,1,0]=4 6503 B12R1.49 CC(CO)Oc1ccc(nc1)I 34a_100000687607_100012180447 [0,0,0,0,1,0|2,1,0]=4 6504 B12R1.49 CC(CO)Oc1ccc(nc1)I 7a_100000687607_100012180447 [0,0,0,0,1,0|2,1,0]=4 6505 B12R1.49 CC(CO)Oc1ccc(nc1)N 34a_100015188713_100012180447 [0,0,0,0,1,0|3,0,0]=4 6506 B12R1.49 CC(CO)Oc1ccc(nc1)N 7a_100015188713_100012180447 [0,0,0,0,1,0|3,0,0]=4 6507 B12R1.49 CC(CO)Oc1cnc(cn1)Cl 34a_100015839800_100012180447 [0,0,0,0,1,0|3,0,0]=4 6508 B12R1.49 CC(CO)Oc1cnc(nc1)Cl 34a_100000092845_100012180447 [0,0,0,0,1,0|3,0,0]=4 6509 B12R1.49 CC(CO)Oc1cnc(nc1)Cl 7a_100000092845_100012180447 [0,0,0,0,1,0|3,0,0]=4 6510 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,0,0,0,1,0|1,2,0]=4 6511 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,0,0,0,1,0|1,1,0]=3 6512 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,0,0,0,1,0|1,2,0]=4 6513 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,0,0,0,1,0|2,1,0]=4 6514 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,0,0,0,1,0|2,1,0]=4 6515 B12R1.49 CC(CO)Sc1ccc(cn1)Cl 62a_100012180447_100011356976 [0,0,0,0,1,0|2,1,0]=4 6516 B12R1.49 CC(CO)Sc1ccc(nc1)Cl 62a_100012180447_100000034144 [0,0,0,0,1,0|2,1,0]=4 6517 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,0,0,0,1,0|1,0,2]=4 6518 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,0,0,0,1,0|1,0,2]=4 6519 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,0,0,0,1,0|3,0,0]=4 6520 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,0,0,0,1,0|3,0,0]=4 6521 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,0,0,0,1,0|2,1,0]=4 6522 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,0,0,0,1,0|2,1,0]=4 6523 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,0,0,0,1,0|3,0,0]=4 6524 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,0,0,0,1,0|3,0,0]=4 6525 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,0,0,0,1,0|2,0,0]=3 6526 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,0,0,0,1,0|2,0,0]=3 6527 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,0,0,0,1,0|2,1,0]=4 6528 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,0,0,0,1,0|2,1,0]=4 6529 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,0,0,0,1,0|2,1,0]=4 6530 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,0,0,0,1,0|3,0,0]=4 6531 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100011215416 [0,0,0,0,1,0|3,0,0]=4 6532 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100011215416 [0,0,0,0,1,0|3,0,0]=4 6533 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000758301 [0,0,0,0,1,0|3,0,0]=4 6534 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,0,0,0,1,0|2,1,0]=4 6535 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,0,0,0,1,0|2,1,0]=4 6536 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,0,0,0,1,0|3,0,0]=4 6537 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,0,0,0,1,0|3,0,0]=4 6538 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,0,0,0,1,0|3,0,0]=4 6539 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,0,0,0,1,0|3,0,0]=4 6540 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,0,0,0,1,0|3,0,0]=4 6541 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,0,0,0,1,0|3,0,0]=4 6542 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,0,0,0,1,0|3,0,0]=4 6543 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,0,0,0,1,0|3,0,0]=4 6544 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,0,0,0,1,0|3,0,0]=4 6545 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 269982a_100000184517_100015361967 [0,0,0,0,1,0|3,0,0]=4 6546 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 34a_100000184517_100015361967 [0,0,0,0,1,0|3,0,0]=4 6547 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,0,0,0,1,0|3,0,0]=4 6548 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,0,0,0,1,0|1,2,0]=4 6549 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,0,0,0,1,0|1,2,0]=4 6550 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,0,0,0,1,0|1,1,0]=3 6551 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,0,0,0,1,0|1,1,0]=3 6552 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,0,0,0,1,0|1,2,0]=4 6553 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,0,0,0,1,0|1,2,0]=4 6554 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,0,0,0,1,0|2,1,0]=4 6555 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,0,0,0,1,0|2,1,0]=4 6556 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,0,0,0,1,0|2,1,0]=4 6557 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100011356976_100016084084 [0,0,0,0,1,0|2,1,0]=4 6558 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100016084084_100011356976 [0,0,0,0,1,0|2,1,0]=4 6559 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100000034144_100016084084 [0,0,0,0,1,0|2,1,0]=4 6560 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100016084084_100000034144 [0,0,0,0,1,0|2,1,0]=4 6561 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,0,0,0,1,0|1,0,2]=4 6562 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,0,0,0,1,0|3,0,0]=4 6563 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,0,0,0,1,0|2,0,0]=3 6564 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,0,0,0,1,0|2,0,0]=3 6565 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,0,0,0,1,0|2,1,0]=4 6566 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,0,0,0,1,0|2,1,0]=4 6567 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,0,0,0,1,0|2,1,0]=4 6568 B12R1.49 Cc1ccc(cn1)OC(C)CO 34a_100000745506_100012180447 [0,0,0,0,1,0|3,0,0]=4 6569 B12R1.49 Cc1ccc(cn1)OC(C)CO 7a_100000745506_100012180447 [0,0,0,0,1,0|3,0,0]=4 6570 B12R1.49 Cc1ccc(nc1)OC(C)CO 34a_100000759353_100012180447 [0,0,0,0,1,0|3,0,0]=4 6571 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,0,0,0,1,0|1,0,2]=4 6572 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,0,0,0,1,0|0,1,2]=4 6573 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,0,0,0,1,0|0,0,2]=3 6574 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,0,0,0,1,0|0,1,2]=4 6575 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,0,0,0,1,0|0,1,2]=4 6576 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,0,0,0,1,0|1,0,2]=4 6577 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,0,0,0,1,0|1,0,2]=4 6578 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,0,0,0,1,0|1,0,2]=4 6579 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,0,0,0,1,0|1,0,2]=4 6580 B14R1.13 C=CC(C)COCc1ccc(cc1)Cl 34a_100011215527_100000694040 [0,0,0,0,0,1|2,0,1]=4 6581 B14R1.13 C=CC(C)COCc1ccc(cc1)Cl 7a_100011215527_100000187161 [0,0,0,0,0,1|2,0,1]=4 6582 B14R1.13 C=CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000730141 [0,0,0,0,0,1|2,0,1]=4 6583 B14R1.13 C=CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100000730141 [0,0,0,0,0,1|2,0,1]=4 6584 B14R1.13 C=CC(O)COCc1ccc(cc1)Br 34a_100000695286_100000730141 [0,0,0,0,0,1|1,1,1]=4 6585 B14R1.13 C=CC(O)COCc1ccc(cc1)C 34a_100011215236_100000730141 [0,0,0,0,0,1|2,0,1]=4 6586 B14R1.13 C=CC(O)COCc1ccc(cc1)C 7a_100011215236_100000730141 [0,0,0,0,0,1|2,0,1]=4 6587 B14R1.13 C=CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100000730141 [0,0,0,0,0,1|1,0,1]=3 6588 B14R1.13 C=CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100000730141 [0,0,0,0,0,1|1,0,1]=3 6589 B14R1.13 C=CC(O)COCc1ccc(cc1)F 34a_100000210977_100000730141 [0,0,0,0,0,1|1,1,1]=4 6590 B14R1.13 C=CC(O)COCc1ccc(cc1)F 7a_100000210977_100000730141 [0,0,0,0,0,1|1,1,1]=4 6591 B14R1.13 C=CC(O)COCc1ccc(cc1)I 34a_100000690907_100000730141 [0,0,0,0,0,1|1,1,1]=4 6592 B14R1.13 C=CC(O)COCc1ccc(cc1)I 7a_100000690907_100000730141 [0,0,0,0,0,1|1,1,1]=4 6593 B14R1.13 C=CC(O)COCc1ccc(cc1)N 34a_100011215238_100000730141 [0,0,0,0,0,1|2,0,1]=4 6594 B14R1.13 C=CC(O)COCc1ccc(cn1)Cl 34a_100000703999_100000730141 [0,0,0,0,0,1|2,0,1]=4 6595 B14R1.13 C=CC(O)COCc1ccc(nc1)Cl 34a_100000755211_100000730141 [0,0,0,0,0,1|2,0,1]=4 6596 B14R1.13 C=CC(O)COCc1ccc(nc1)Cl 7a_100000755211_100000730141 [0,0,0,0,0,1|2,0,1]=4 6597 B14R1.13 C=CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100000730141 [0,0,0,0,0,1|1,1,1]=4 6598 B14R1.13 C=CC(O)CSCc1ccc(cc1)Cl 62a_100000730141_100000187161 [0,0,0,0,0,1|1,1,1]=4 6599 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)Cl 34a_100016989147_100000694040 [0,0,0,0,0,1|2,0,1]=4 6600 B14R1.13 CC(CF)OCCc1ccc(cc1)Cl 34a_100016041109_100011713675 [0,0,0,0,0,1|3,0,0]=4 6601 B14R1.13 CC(CF)OCCc1ccc(cc1)Cl 7a_100016041109_100011713675 [0,0,0,0,0,1|3,0,0]=4 6602 B14R1.13 CC(CN)COCc1ccc(cc1)Br 34a_100000744482_100000189115 [0,0,0,0,0,1|2,1,0]=4 6603 B14R1.13 CC(CN)COCc1ccc(cc1)Cl 34a_100000744482_100000694040 [0,0,0,0,0,1|2,0,0]=3 6604 B14R1.13 CC(CN)COCc1ccc(cc1)F 34a_100000744482_100000198546 [0,0,0,0,0,1|2,1,0]=4 6605 B14R1.13 CC(CN)COCc1ccc(cc1)I 34a_100000744482_100000189116 [0,0,0,0,0,1|2,1,0]=4 6606 B14R1.13 CC(CN)COCc1ccc(cn1)Cl 34a_100000744482_100012066911 [0,0,0,0,0,1|3,0,0]=4 6607 B14R1.13 CC(CN)COCc1ccc(nc1)Cl 34a_100000744482_100000735431 [0,0,0,0,0,1|3,0,0]=4 6608 B14R1.13 CC(CN)OCCc1ccc(cc1)Cl 34a_100000210904_100011713675 [0,0,0,0,0,1|3,0,0]=4 6609 B14R1.13 CC(CO)CNCc1ccc(cc1)Br 207a_100000744482_100000186029 [0,0,0,0,0,1|2,1,0]=4 6610 B14R1.13 CC(CO)CNCc1ccc(cc1)Br 34a_100000744482_100000189115 [0,0,0,0,0,1|2,1,0]=4 6611 B14R1.13 CC(CO)CNCc1ccc(cc1)Cl 207a_100000744482_100000189385 [0,0,0,0,0,1|2,0,0]=3 6612 B14R1.13 CC(CO)CNCc1ccc(cc1)Cl 34a_100000744482_100000694040 [0,0,0,0,0,1|2,0,0]=3 6613 B14R1.13 CC(CO)CNCc1ccc(cc1)F 207a_100000744482_100000210084 [0,0,0,0,0,1|2,1,0]=4 6614 B14R1.13 CC(CO)CNCc1ccc(cc1)F 34a_100000744482_100000198546 [0,0,0,0,0,1|2,1,0]=4 6615 B14R1.13 CC(CO)CNCc1ccc(cc1)I 207a_100000744482_100000188517 [0,0,0,0,0,1|2,1,0]=4 6616 B14R1.13 CC(CO)CNCc1ccc(cc1)I 34a_100000744482_100000189116 [0,0,0,0,0,1|2,1,0]=4 6617 B14R1.13 CC(CO)CNCc1ccc(cn1)Cl 207a_100000744482_100011361569 [0,0,0,0,0,1|3,0,0]=4 6618 B14R1.13 CC(CO)CNCc1ccc(cn1)Cl 34a_100000744482_100012066911 [0,0,0,0,0,1|3,0,0]=4 6619 B14R1.13 CC(CO)CNCc1ccc(nc1)Cl 34a_100000744482_100000735431 [0,0,0,0,0,1|3,0,0]=4 6620 B14R1.13 CC(CO)NCCc1ccc(cc1)Br 2230a_100000755846_100012180447 [0,0,0,0,0,1|2,1,0]=4 6621 B14R1.13 CC(CO)NCCc1ccc(cc1)Br 34a_100000755846_100012180447 [0,0,0,0,0,1|2,1,0]=4 6622 B14R1.13 CC(CO)NCCc1ccc(cc1)Cl 2230a_100000185265_100012180447 [0,0,0,0,0,1|2,0,0]=3 6623 B14R1.13 CC(CO)NCCc1ccc(cc1)Cl 34a_100000185265_100012180447 [0,0,0,0,0,1|2,0,0]=3 6624 B14R1.13 CC(CO)NCCc1ccc(cc1)F 2230a_100000199005_100012180447 [0,0,0,0,0,1|2,1,0]=4 6625 B14R1.13 CC(CO)NCCc1ccc(cc1)F 34a_100000199005_100012180447 [0,0,0,0,0,1|2,1,0]=4 6626 B14R1.13 CC(CO)NCCc1ccc(cc1)O 34a_100000743037_100012180447 [0,0,0,0,0,1|3,0,0]=4 6627 B14R1.13 CC(CO)OCCc1ccc(cc1)Br 34a_100000766406_100012180447 [0,0,0,0,0,1|2,1,0]=4 6628 B14R1.13 CC(CO)OCCc1ccc(cc1)Br 7a_100000766406_100012180447 [0,0,0,0,0,1|2,1,0]=4 6629 B14R1.13 CC(CO)OCCc1ccc(cc1)Cl 34a_100011219627_100012180447 [0,0,0,0,0,1|2,0,0]=3 6630 B14R1.13 CC(CO)OCCc1ccc(cc1)Cl 7a_100011219627_100012180447 [0,0,0,0,0,1|2,0,0]=3 6631 B14R1.13 CC(CO)OCCc1ccc(cc1)F 34a_100000754732_100012180447 [0,0,0,0,0,1|2,1,0]=4 6632 B14R1.13 CC(CO)OCCc1ccc(cc1)F 7a_100000754732_100012180447 [0,0,0,0,0,1|2,1,0]=4 6633 B14R1.13 CC(CO)OCCc1ccc(cc1)I 34a_100012291149_100012180447 [0,0,0,0,0,1|2,1,0]=4 6634 B14R1.13 CC(CO)OCCc1ccc(cc1)I 7a_100012291149_100012180447 [0,0,0,0,0,1|2,1,0]=4 6635 B14R1.13 CC(CO)OCCc1ccc(cc1)N 34a_100011204434_100012180447 [0,0,0,0,0,1|3,0,0]=4 6636 B14R1.13 CC(CO)OCCc1ccc(nc1)Cl 34a_100009880866_100012180447 [0,0,0,0,0,1|3,0,0]=4 6637 B14R1.13 CC(CO)OCCc1ccc(nc1)Cl 7a_100009880866_100012180447 [0,0,0,0,0,1|3,0,0]=4 6638 B14R1.13 CC(CO)SCCc1ccc(cc1)Br 62a_100012180447_100011740612 [0,0,0,0,0,1|2,1,0]=4 6639 B14R1.13 CC(CO)SCCc1ccc(cc1)Cl 62a_100012180447_100011713675 [0,0,0,0,0,1|2,0,0]=3 6640 B14R1.13 CC(CO)SCCc1ccc(cc1)F 62a_100012180447_100011217392 [0,0,0,0,0,1|2,1,0]=4 6641 B14R1.13 CC(CO)SCCc1ccc(cc1)O 62a_100012180447_100009816426 [0,0,0,0,0,1|3,0,0]=4 6642 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_100000210202 [0,0,0,0,0,1|1,0,2]=4 6643 B14R1.13 CCC(=O)CCOc1ccc(cc1)Cl 1458a_100000210414_100000184122 [0,0,0,0,0,1|1,0,2]=4 6644 B14R1.13 CCC(=O)COCc1ccc(cc1)Cl 34a_100000725409_100000694040 [0,0,0,0,0,1|1,0,2]=4 6645 B14R1.13 CCC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000747405 [0,0,0,0,0,1|1,0,2]=4 6646 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 207a_100020588543_100000189385 [0,0,0,0,0,1|3,0,0]=4 6647 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000748023 [0,0,0,0,0,1|3,0,0]=4 6648 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 2230a_100020588543_100000694040 [0,0,0,0,0,1|3,0,0]=4 6649 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000243153 [0,0,0,0,0,1|3,0,0]=4 6650 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 270004a_100020588543_100000189385 [0,0,0,0,0,1|3,0,0]=4 6651 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000748023 [0,0,0,0,0,1|3,0,0]=4 6652 B14R1.13 CCC(C)COCc1ccc(cc1)Br 34a_100000695286_100000748023 [0,0,0,0,0,1|2,1,0]=4 6653 B14R1.13 CCC(C)COCc1ccc(cc1)C 34a_100011215236_100000748023 [0,0,0,0,0,1|3,0,0]=4 6654 B14R1.13 CCC(C)COCc1ccc(cc1)C 7a_100011215236_100000748023 [0,0,0,0,0,1|3,0,0]=4 6655 B14R1.13 CCC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748023 [0,0,0,0,0,1|2,0,0]=3 6656 B14R1.13 CCC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748023 [0,0,0,0,0,1|2,0,0]=3 6657 B14R1.13 CCC(C)COCc1ccc(cc1)F 34a_100000210977_100000748023 [0,0,0,0,0,1|2,1,0]=4 6658 B14R1.13 CCC(C)COCc1ccc(cc1)F 7a_100000210977_100000748023 [0,0,0,0,0,1|2,1,0]=4 6659 B14R1.13 CCC(C)COCc1ccc(cc1)I 34a_100000690907_100000748023 [0,0,0,0,0,1|2,1,0]=4 6660 B14R1.13 CCC(C)COCc1ccc(cc1)I 7a_100000690907_100000748023 [0,0,0,0,0,1|2,1,0]=4 6661 B14R1.13 CCC(C)COCc1ccc(cc1)N 34a_100011215238_100000748023 [0,0,0,0,0,1|3,0,0]=4 6662 B14R1.13 CCC(C)COCc1ccc(cn1)Cl 34a_100000703999_100000748023 [0,0,0,0,0,1|3,0,0]=4 6663 B14R1.13 CCC(C)COCc1ccc(nc1)Cl 34a_100000755211_100000748023 [0,0,0,0,0,1|3,0,0]=4 6664 B14R1.13 CCC(C)COCc1ccc(nc1)Cl 7a_100000755211_100000748023 [0,0,0,0,0,1|3,0,0]=4 6665 B14R1.13 CCC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000748023 [0,0,0,0,0,1|2,1,0]=4 6666 B14R1.13 CCC(C)CSCc1ccc(cc1)Cl 62a_100000748023_100000187161 [0,0,0,0,0,1|2,1,0]=4 6667 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000758301 [0,0,0,0,0,1|3,0,0]=4 6668 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 2230a_100000209981_100011713675 [0,0,0,0,0,1|3,0,0]=4 6669 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100011215416 [0,0,0,0,0,1|3,0,0]=4 6670 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100011215416 [0,0,0,0,0,1|3,0,0]=4 6671 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 7a_100000210228_100011713675 [0,0,0,0,0,1|3,0,0]=4 6672 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000758301 [0,0,0,0,0,1|3,0,0]=4 6673 B14R1.13 CCC(C)SCCc1ccc(cc1)Cl 62a_100000758301_100011713675 [0,0,0,0,0,1|3,0,0]=4 6674 B14R1.13 CCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000758301 [0,0,0,0,0,1|3,0,0]=4 6675 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 207a_100011218483_100000186029 [0,0,0,0,0,1|2,1,0]=4 6676 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218378 [0,0,0,0,0,1|2,1,0]=4 6677 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 2230a_100011218483_100011217064 [0,0,0,0,0,1|2,1,0]=4 6678 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 270004a_100011218483_100000186029 [0,0,0,0,0,1|2,1,0]=4 6679 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218378 [0,0,0,0,0,1|2,1,0]=4 6680 B14R1.13 CCC(O)CNCc1ccc(cc1)C 207a_100011218483_100000211033 [0,0,0,0,0,1|3,0,0]=4 6681 B14R1.13 CCC(O)CNCc1ccc(cc1)C 2230a_100000174908_100011218378 [0,0,0,0,0,1|3,0,0]=4 6682 B14R1.13 CCC(O)CNCc1ccc(cc1)C 2230a_100011218483_100000210814 [0,0,0,0,0,1|3,0,0]=4 6683 B14R1.13 CCC(O)CNCc1ccc(cc1)C 270004a_100011218483_100000211033 [0,0,0,0,0,1|3,0,0]=4 6684 B14R1.13 CCC(O)CNCc1ccc(cc1)C 34a_100000174908_100011218378 [0,0,0,0,0,1|3,0,0]=4 6685 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 207a_100011218483_100000189385 [0,0,0,0,0,1|2,0,0]=3 6686 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218378 [0,0,0,0,0,1|2,0,0]=3 6687 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 2230a_100011218483_100000694040 [0,0,0,0,0,1|2,0,0]=3 6688 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 270004a_100011218483_100000189385 [0,0,0,0,0,1|2,0,0]=3 6689 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218378 [0,0,0,0,0,1|2,0,0]=3 6690 B14R1.13 CCC(O)CNCc1ccc(cc1)F 207a_100011218483_100000210084 [0,0,0,0,0,1|2,1,0]=4 6691 B14R1.13 CCC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218378 [0,0,0,0,0,1|2,1,0]=4 6692 B14R1.13 CCC(O)CNCc1ccc(cc1)F 2230a_100011218483_100000198546 [0,0,0,0,0,1|2,1,0]=4 6693 B14R1.13 CCC(O)CNCc1ccc(cc1)F 270004a_100011218483_100000210084 [0,0,0,0,0,1|2,1,0]=4 6694 B14R1.13 CCC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218378 [0,0,0,0,0,1|2,1,0]=4 6695 B14R1.13 CCC(O)CNCc1ccc(cc1)I 207a_100011218483_100000188517 [0,0,0,0,0,1|2,1,0]=4 6696 B14R1.13 CCC(O)CNCc1ccc(cc1)I 2230a_100011218483_100000189116 [0,0,0,0,0,1|2,1,0]=4 6697 B14R1.13 CCC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218378 [0,0,0,0,0,1|2,1,0]=4 6698 B14R1.13 CCC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218378 [0,0,0,0,0,1|2,1,0]=4 6699 B14R1.13 CCC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218378 [0,0,0,0,0,1|3,0,0]=4 6700 B14R1.13 CCC(O)CNCc1ccc(cn1)Cl 207a_100011218483_100011361569 [0,0,0,0,0,1|3,0,0]=4 6701 B14R1.13 CCC(O)CNCc1ccc(cn1)Cl 2230a_100011218483_100012066911 [0,0,0,0,0,1|3,0,0]=4 6702 B14R1.13 CCC(O)CNCc1ccc(cn1)Cl 270004a_100011218483_100011361569 [0,0,0,0,0,1|3,0,0]=4 6703 B14R1.13 CCC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011218378 [0,0,0,0,0,1|3,0,0]=4 6704 B14R1.13 CCC(O)CNCc1ccc(nc1)Cl 2230a_100000735879_100011218378 [0,0,0,0,0,1|3,0,0]=4 6705 B14R1.13 CCC(O)CNCc1ccc(nc1)Cl 2230a_100011218483_100000735431 [0,0,0,0,0,1|3,0,0]=4 6706 B14R1.13 CCC(O)CNCc1ccc(nc1)Cl 34a_100000735879_100011218378 [0,0,0,0,0,1|3,0,0]=4 6707 B14R1.13 CCC(O)COCc1cc[n+](cc1)C 34a_100009831711_100011218378 [0,0,0,0,0,1|3,0,0]=4 6708 B14R1.13 CCC(O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100011218378 [0,0,0,0,0,1|3,0,0]=4 6709 B14R1.13 CCC(O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100011218378 [0,0,0,0,0,1|3,0,0]=4 6710 B14R1.13 CCC(O)COCc1ccc(=O)[nH]c1 34a_100011999846_100011218378 [0,0,0,0,0,1|3,0,0]=4 6711 B14R1.13 CCC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218378 [0,0,0,0,0,1|1,1,0]=3 6712 B14R1.13 CCC(O)COCc1ccc(cc1)C 34a_100011215236_100011218378 [0,0,0,0,0,1|2,0,0]=3 6713 B14R1.13 CCC(O)COCc1ccc(cc1)C 7a_100011215236_100011218378 [0,0,0,0,0,1|2,0,0]=3 6714 B14R1.13 CCC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218378 [0,0,0,0,0,1|1,0,0]=2 6715 B14R1.13 CCC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218378 [0,0,0,0,0,1|1,0,0]=2 6716 B14R1.13 CCC(O)COCc1ccc(cc1)F 34a_100000210977_100011218378 [0,0,0,0,0,1|1,1,0]=3 6717 B14R1.13 CCC(O)COCc1ccc(cc1)F 7a_100000210977_100011218378 [0,0,0,0,0,1|1,1,0]=3 6718 B14R1.13 CCC(O)COCc1ccc(cc1)I 34a_100000690907_100011218378 [0,0,0,0,0,1|1,1,0]=3 6719 B14R1.13 CCC(O)COCc1ccc(cc1)I 7a_100000690907_100011218378 [0,0,0,0,0,1|1,1,0]=3 6720 B14R1.13 CCC(O)COCc1ccc(cc1)N 34a_100011215238_100011218378 [0,0,0,0,0,1|2,0,0]=3 6721 B14R1.13 CCC(O)COCc1ccc(cn1)Br 34a_100000754261_100011218378 [0,0,0,0,0,1|2,1,0]=4 6722 B14R1.13 CCC(O)COCc1ccc(cn1)C 34a_100012001401_100011218378 [0,0,0,0,0,1|3,0,0]=4 6723 B14R1.13 CCC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011218378 [0,0,0,0,0,1|2,0,0]=3 6724 B14R1.13 CCC(O)COCc1ccc(cn1)F 34a_100011999454_100011218378 [0,0,0,0,0,1|2,1,0]=4 6725 B14R1.13 CCC(O)COCc1ccc(cn1)N 34a_100011998161_100011218378 [0,0,0,0,0,1|3,0,0]=4 6726 B14R1.13 CCC(O)COCc1ccc(nc1)Br 34a_100009816760_100011218378 [0,0,0,0,0,1|2,1,0]=4 6727 B14R1.13 CCC(O)COCc1ccc(nc1)Br 7a_100009816760_100011218378 [0,0,0,0,0,1|2,1,0]=4 6728 B14R1.13 CCC(O)COCc1ccc(nc1)C 34a_100011248133_100011218378 [0,0,0,0,0,1|3,0,0]=4 6729 B14R1.13 CCC(O)COCc1ccc(nc1)Cl 34a_100000755211_100011218378 [0,0,0,0,0,1|2,0,0]=3 6730 B14R1.13 CCC(O)COCc1ccc(nc1)Cl 7a_100000755211_100011218378 [0,0,0,0,0,1|2,0,0]=3 6731 B14R1.13 CCC(O)COCc1ccc(nc1)F 34a_100000079959_100011218378 [0,0,0,0,0,1|2,1,0]=4 6732 B14R1.13 CCC(O)COCc1ccc(nc1)N 34a_100000704267_100011218378 [0,0,0,0,0,1|3,0,0]=4 6733 B14R1.13 CCC(O)COCc1cnc(cn1)Cl 34a_100012002382_100011218378 [0,0,0,0,0,1|3,0,0]=4 6734 B14R1.13 CCC(O)COCc1cnc(nc1)Cl 34a_100009855073_100011218378 [0,0,0,0,0,1|3,0,0]=4 6735 B14R1.13 CCC(O)COCc1cnc(nc1)Cl 7a_100009855073_100011218378 [0,0,0,0,0,1|3,0,0]=4 6736 B14R1.13 CCC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218378 [0,0,0,0,0,1|1,2,0]=4 6737 B14R1.13 CCC(O)CSCc1ccc(cc1)Br 62a_100011218378_100000189115 [0,0,0,0,0,1|1,2,0]=4 6738 B14R1.13 CCC(O)CSCc1ccc(cc1)C 62a_100000210814_100011218378 [0,0,0,0,0,1|2,1,0]=4 6739 B14R1.13 CCC(O)CSCc1ccc(cc1)C 62a_100011218378_100000210814 [0,0,0,0,0,1|2,1,0]=4 6740 B14R1.13 CCC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218378 [0,0,0,0,0,1|1,1,0]=3 6741 B14R1.13 CCC(O)CSCc1ccc(cc1)Cl 62a_100011218378_100000187161 [0,0,0,0,0,1|1,1,0]=3 6742 B14R1.13 CCC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218378 [0,0,0,0,0,1|1,2,0]=4 6743 B14R1.13 CCC(O)CSCc1ccc(cc1)F 62a_100011218378_100000187164 [0,0,0,0,0,1|1,2,0]=4 6744 B14R1.13 CCC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218378 [0,0,0,0,0,1|1,2,0]=4 6745 B14R1.13 CCC(O)CSCc1ccc(cc1)I 62a_100011218378_100000189116 [0,0,0,0,0,1|1,2,0]=4 6746 B14R1.13 CCC(O)CSCc1ccc(cn1)Cl 62a_100011218378_100000697101 [0,0,0,0,0,1|2,1,0]=4 6747 B14R1.13 CCC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011218378 [0,0,0,0,0,1|2,1,0]=4 6748 B14R1.13 CCC(O)CSCc1ccc(nc1)Cl 62a_100000735431_100011218378 [0,0,0,0,0,1|2,1,0]=4 6749 B14R1.13 CCC(O)CSCc1ccc(nc1)Cl 62a_100011218378_100000735431 [0,0,0,0,0,1|2,1,0]=4 6750 B14R1.13 CCN(C)CCOc1ccc(cc1)Cl 2230a_100000225621_100000184122 [0,0,0,0,0,1|3,0,0]=4 6751 B14R1.13 CCN(C)CCOc1ccc(cc1)Cl 2230a_100015185056_200000210301 [0,0,0,0,0,1|3,0,0]=4 6752 B14R1.13 CCN(C)CCOc1ccc(cc1)Cl 269982a_100000225621_100000184122 [0,0,0,0,0,1|3,0,0]=4 6753 B14R1.13 CCN(C)CCOc1ccc(cc1)Cl 269982a_100015185056_200000210301 [0,0,0,0,0,1|3,0,0]=4 6754 B14R1.13 CCN(C)CCOc1ccc(cc1)Cl 34a_100015185056_200000210301 [0,0,0,0,0,1|3,0,0]=4 6755 B14R1.13 CCN([13CH3])CCOc1ccc(cc1)Cl 2230a_100015185056_200025704644 [0,0,0,0,0,1|3,0,0]=4 6756 B14R1.13 CCN([13CH3])CCOc1ccc(cc1)Cl 269982a_100015185056_200025704644 [0,0,0,0,0,1|3,0,0]=4 6757 B14R1.13 CCN([13CH3])CCOc1ccc(cc1)Cl 34a_100015185056_200025704644 [0,0,0,0,0,1|3,0,0]=4 6758 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Cl 2230a_100000174871_100009816398 [0,0,0,0,0,1|3,0,0]=4 6759 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Cl 34a_100000174871_100009816398 [0,0,0,0,0,1|3,0,0]=4 6760 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Br 34a_100000695286_100009816398 [0,0,0,0,0,1|2,1,0]=4 6761 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Br 7a_100009816381_100011217064 [0,0,0,0,0,1|2,1,0]=4 6762 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 34a_100011215236_100009816398 [0,0,0,0,0,1|3,0,0]=4 6763 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 7a_100009816381_100000210814 [0,0,0,0,0,1|3,0,0]=4 6764 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 7a_100011215236_100009816398 [0,0,0,0,0,1|3,0,0]=4 6765 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 34a_100000211118_100009816398 [0,0,0,0,0,1|2,0,0]=3 6766 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 7a_100000211118_100009816398 [0,0,0,0,0,1|2,0,0]=3 6767 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 7a_100009816381_100000187161 [0,0,0,0,0,1|2,0,0]=3 6768 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 34a_100000210977_100009816398 [0,0,0,0,0,1|2,1,0]=4 6769 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 7a_100000210977_100009816398 [0,0,0,0,0,1|2,1,0]=4 6770 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 7a_100009816381_100000198546 [0,0,0,0,0,1|2,1,0]=4 6771 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 34a_100000690907_100009816398 [0,0,0,0,0,1|2,1,0]=4 6772 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 7a_100000690907_100009816398 [0,0,0,0,0,1|2,1,0]=4 6773 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 7a_100009816381_100000189116 [0,0,0,0,0,1|2,1,0]=4 6774 B14R1.13 CC[C@H](C)COCc1ccc(cc1)N 34a_100011215238_100009816398 [0,0,0,0,0,1|3,0,0]=4 6775 B14R1.13 CC[C@H](C)COCc1ccc(cn1)Cl 34a_100000703999_100009816398 [0,0,0,0,0,1|3,0,0]=4 6776 B14R1.13 CC[C@H](C)COCc1ccc(cn1)Cl 7a_100009816381_100012066911 [0,0,0,0,0,1|3,0,0]=4 6777 B14R1.13 CC[C@H](C)COCc1ccc(nc1)Cl 34a_100000755211_100009816398 [0,0,0,0,0,1|3,0,0]=4 6778 B14R1.13 CC[C@H](C)COCc1ccc(nc1)Cl 7a_100000755211_100009816398 [0,0,0,0,0,1|3,0,0]=4 6779 B14R1.13 CC[C@H](C)COCc1ccc(nc1)Cl 7a_100009816381_100000735431 [0,0,0,0,0,1|3,0,0]=4 6780 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Cl 62a_100000187161_100009816398 [0,0,0,0,0,1|2,1,0]=4 6781 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Cl 62a_100009816398_100000187161 [0,0,0,0,0,1|2,1,0]=4 6782 B14R1.13 COC(C)COCc1ccc(cc1)Cl 34a_100000690652_100000694040 [0,0,0,0,0,1|3,0,0]=4 6783 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Br 2230a_100000174875_100000059175 [0,0,0,0,0,1|2,1,0]=4 6784 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Br 34a_100000174875_100000059175 [0,0,0,0,0,1|2,1,0]=4 6785 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Cl 2230a_100000174871_100000059175 [0,0,0,0,0,1|2,0,0]=3 6786 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Cl 34a_100000174871_100000059175 [0,0,0,0,0,1|2,0,0]=3 6787 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)F 2230a_100000174882_100000059175 [0,0,0,0,0,1|2,1,0]=4 6788 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)F 34a_100000174882_100000059175 [0,0,0,0,0,1|2,1,0]=4 6789 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)I 2230a_100016989417_100000059175 [0,0,0,0,0,1|2,1,0]=4 6790 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)I 34a_100016989417_100000059175 [0,0,0,0,0,1|2,1,0]=4 6791 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)O 34a_100000185549_100000059175 [0,0,0,0,0,1|3,0,0]=4 6792 B14R1.13 C[C@@H](CO)CNCc1ccc(cn1)Cl 34a_100000697193_100000059175 [0,0,0,0,0,1|3,0,0]=4 6793 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)Cl 2230a_100000735879_100000059175 [0,0,0,0,0,1|3,0,0]=4 6794 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)Cl 34a_100000735879_100000059175 [0,0,0,0,0,1|3,0,0]=4 6795 B14R1.13 C[C@@H](CO)COCc1cc[n+](cc1)C 34a_100009831711_100000059175 [0,0,0,0,0,1|3,0,0]=4 6796 B14R1.13 C[C@@H](CO)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000059175 [0,0,0,0,0,1|3,0,0]=4 6797 B14R1.13 C[C@@H](CO)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000059175 [0,0,0,0,0,1|3,0,0]=4 6798 B14R1.13 C[C@@H](CO)COCc1ccc(=O)[nH]c1 34a_100011999846_100000059175 [0,0,0,0,0,1|3,0,0]=4 6799 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Br 34a_100000695286_100000059175 [0,0,0,0,0,1|1,1,0]=3 6800 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Cl 34a_100000211118_100000059175 [0,0,0,0,0,1|1,0,0]=2 6801 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Cl 7a_100000211118_100000059175 [0,0,0,0,0,1|1,0,0]=2 6802 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)F 34a_100000210977_100000059175 [0,0,0,0,0,1|1,1,0]=3 6803 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)F 7a_100000210977_100000059175 [0,0,0,0,0,1|1,1,0]=3 6804 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)I 34a_100000690907_100000059175 [0,0,0,0,0,1|1,1,0]=3 6805 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)I 7a_100000690907_100000059175 [0,0,0,0,0,1|1,1,0]=3 6806 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)N 34a_100011215238_100000059175 [0,0,0,0,0,1|2,0,0]=3 6807 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)Br 34a_100000754261_100000059175 [0,0,0,0,0,1|2,1,0]=4 6808 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)Cl 34a_100000703999_100000059175 [0,0,0,0,0,1|2,0,0]=3 6809 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)F 34a_100011999454_100000059175 [0,0,0,0,0,1|2,1,0]=4 6810 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)N 34a_100011998161_100000059175 [0,0,0,0,0,1|3,0,0]=4 6811 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Br 34a_100009816760_100000059175 [0,0,0,0,0,1|2,1,0]=4 6812 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Br 7a_100009816760_100000059175 [0,0,0,0,0,1|2,1,0]=4 6813 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Cl 34a_100000755211_100000059175 [0,0,0,0,0,1|2,0,0]=3 6814 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Cl 7a_100000755211_100000059175 [0,0,0,0,0,1|2,0,0]=3 6815 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)F 34a_100000079959_100000059175 [0,0,0,0,0,1|2,1,0]=4 6816 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)N 34a_100000704267_100000059175 [0,0,0,0,0,1|3,0,0]=4 6817 B14R1.13 C[C@@H](CO)COCc1cnc(cn1)Cl 34a_100012002382_100000059175 [0,0,0,0,0,1|3,0,0]=4 6818 B14R1.13 C[C@@H](CO)COCc1cnc(nc1)Cl 34a_100009855073_100000059175 [0,0,0,0,0,1|3,0,0]=4 6819 B14R1.13 C[C@@H](CO)COCc1cnc(nc1)Cl 7a_100009855073_100000059175 [0,0,0,0,0,1|3,0,0]=4 6820 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000059175_100000189115 [0,0,0,0,0,1|1,2,0]=4 6821 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000189115_100000059175 [0,0,0,0,0,1|1,2,0]=4 6822 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000059175_100000187161 [0,0,0,0,0,1|1,1,0]=3 6823 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000187161_100000059175 [0,0,0,0,0,1|1,1,0]=3 6824 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000059175_100000187164 [0,0,0,0,0,1|1,2,0]=4 6825 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000198546_100000059175 [0,0,0,0,0,1|1,2,0]=4 6826 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000059175_100000189116 [0,0,0,0,0,1|1,2,0]=4 6827 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000189116_100000059175 [0,0,0,0,0,1|1,2,0]=4 6828 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)Cl 62a_100000059175_100000697101 [0,0,0,0,0,1|2,1,0]=4 6829 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)Cl 62a_100012066911_100000059175 [0,0,0,0,0,1|2,1,0]=4 6830 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)Cl 62a_100000059175_100000735431 [0,0,0,0,0,1|2,1,0]=4 6831 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)Cl 62a_100000735431_100000059175 [0,0,0,0,0,1|2,1,0]=4 6832 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)Br 2230a_100000737577_100011740612 [0,0,0,0,0,1|2,1,0]=4 6833 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)Cl 2230a_100000737577_100011713675 [0,0,0,0,0,1|2,0,0]=3 6834 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)F 2230a_100000737577_100011217392 [0,0,0,0,0,1|2,1,0]=4 6835 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)O 2230a_100000737577_100009816426 [0,0,0,0,0,1|3,0,0]=4 6836 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Br 62a_100011740612_100016084084 [0,0,0,0,0,1|2,1,0]=4 6837 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Br 62a_100016084084_100011740612 [0,0,0,0,0,1|2,1,0]=4 6838 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Cl 62a_100011713675_100016084084 [0,0,0,0,0,1|2,0,0]=3 6839 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Cl 62a_100016084084_100011713675 [0,0,0,0,0,1|2,0,0]=3 6840 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)F 62a_100011217392_100016084084 [0,0,0,0,0,1|2,1,0]=4 6841 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)F 62a_100016084084_100011217392 [0,0,0,0,0,1|2,1,0]=4 6842 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)O 62a_100009816426_100016084084 [0,0,0,0,0,1|3,0,0]=4 6843 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)O 62a_100016084084_100009816426 [0,0,0,0,0,1|3,0,0]=4 6844 B14R1.13 C[n+]1ccc(cc1)COCC(O)CO 34a_100009831711_100011219619 [0,0,0,0,0,1|2,0,0]=3 6845 B14R1.13 C[n+]1ccc(cc1)COC[C@@H](O)CF 34a_100009831711_100015614560 [0,0,0,0,0,1|3,0,0]=4 6846 B14R1.13 C[n+]1ccc(cc1)COC[C@@H](O)CO 34a_100009831711_100009815848 [0,0,0,0,0,1|2,0,0]=3 6847 B14R1.13 Cc1ccc(cc1)CCNC(C)CO 2230a_100000705350_100012180447 [0,0,0,0,0,1|3,0,0]=4 6848 B14R1.13 Cc1ccc(cc1)CCNC(C)CO 34a_100000705350_100012180447 [0,0,0,0,0,1|3,0,0]=4 6849 B14R1.13 Cc1ccc(cc1)CCN[C@H](C)CO 2230a_100000737577_100011713686 [0,0,0,0,0,1|3,0,0]=4 6850 B14R1.13 Cc1ccc(cc1)CCOC(C)CO 34a_100000756670_100012180447 [0,0,0,0,0,1|3,0,0]=4 6851 B14R1.13 Cc1ccc(cc1)CCOC(C)CO 7a_100000756670_100012180447 [0,0,0,0,0,1|3,0,0]=4 6852 B14R1.13 Cc1ccc(cc1)CCSC(C)CO 62a_100012180447_100011713686 [0,0,0,0,0,1|3,0,0]=4 6853 B14R1.13 Cc1ccc(cc1)CCS[C@H](C)CO 62a_100011713686_100016084084 [0,0,0,0,0,1|3,0,0]=4 6854 B14R1.13 Cc1ccc(cc1)CCS[C@H](C)CO 62a_100016084084_100011713686 [0,0,0,0,0,1|3,0,0]=4 6855 B14R1.13 Cc1ccc(cc1)CNCC(C)CO 207a_100000744482_100000211033 [0,0,0,0,0,1|3,0,0]=4 6856 B14R1.13 Cc1ccc(cc1)CNCC(C)CO 34a_100000744482_100000210814 [0,0,0,0,0,1|3,0,0]=4 6857 B14R1.13 Cc1ccc(cc1)CNCC(O)CO 2230a_100000174908_100011219619 [0,0,0,0,0,1|2,0,0]=3 6858 B14R1.13 Cc1ccc(cc1)CNCC(O)CO 34a_100000174908_100011219619 [0,0,0,0,0,1|2,0,0]=3 6859 B14R1.13 Cc1ccc(cc1)CNC[C@@H](C)CO 2230a_100000174908_100000059175 [0,0,0,0,0,1|3,0,0]=4 6860 B14R1.13 Cc1ccc(cc1)CNC[C@@H](C)CO 34a_100000174908_100000059175 [0,0,0,0,0,1|3,0,0]=4 6861 B14R1.13 Cc1ccc(cc1)CNC[C@@H](F)CO 207a_100015665980_100000211033 [0,0,0,0,0,1|3,0,0]=4 6862 B14R1.13 Cc1ccc(cc1)CNC[C@@H](F)CO 270004a_100015665980_100000211033 [0,0,0,0,0,1|3,0,0]=4 6863 B14R1.13 Cc1ccc(cc1)CNC[C@@H](F)CO 34a_100015665980_100000210814 [0,0,0,0,0,1|3,0,0]=4 6864 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CF 2230a_100000174908_100015614560 [0,0,0,0,0,1|3,0,0]=4 6865 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CF 34a_100000174908_100015614560 [0,0,0,0,0,1|3,0,0]=4 6866 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CO 2230a_100000174908_100009815848 [0,0,0,0,0,1|2,0,0]=3 6867 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CO 34a_100000174908_100009815848 [0,0,0,0,0,1|2,0,0]=3 6868 B14R1.13 Cc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100000211033 [0,0,0,0,0,1|2,0,0]=3 6869 B14R1.13 Cc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000210814 [0,0,0,0,0,1|2,0,0]=3 6870 B14R1.13 Cc1ccc(cc1)COCC(C)CN 34a_100000744482_100000210814 [0,0,0,0,0,1|3,0,0]=4 6871 B14R1.13 Cc1ccc(cc1)COCC(Cl)CCl 34a_100000033668_100000210814 [0,0,0,0,0,1|3,0,0]=4 6872 B14R1.13 Cc1ccc(cc1)COCC(O)CO 34a_100011215236_100011219619 [0,0,0,0,0,1|1,0,0]=2 6873 B14R1.13 Cc1ccc(cc1)COCC(O)CO 7a_100011215236_100011219619 [0,0,0,0,0,1|1,0,0]=2 6874 B14R1.13 Cc1ccc(cc1)COC[C@@H](C)CO 34a_100011215236_100000059175 [0,0,0,0,0,1|2,0,0]=3 6875 B14R1.13 Cc1ccc(cc1)COC[C@@H](C)CO 7a_100011215236_100000059175 [0,0,0,0,0,1|2,0,0]=3 6876 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CF 34a_100011215236_100015614560 [0,0,0,0,0,1|2,0,0]=3 6877 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CF 7a_100011215236_100015614560 [0,0,0,0,0,1|2,0,0]=3 6878 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CO 34a_100011215236_100009815848 [0,0,0,0,0,1|1,0,0]=2 6879 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CO 7a_100011215236_100009815848 [0,0,0,0,0,1|1,0,0]=2 6880 B14R1.13 Cc1ccc(cc1)COC[C@H](F)CN 34a_100015665980_100000210814 [0,0,0,0,0,1|3,0,0]=4 6881 B14R1.13 Cc1ccc(cc1)CSCC(O)CO 62a_100000210814_100011219619 [0,0,0,0,0,1|1,1,0]=3 6882 B14R1.13 Cc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000210814 [0,0,0,0,0,1|1,1,0]=3 6883 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000059175_100000210814 [0,0,0,0,0,1|2,1,0]=4 6884 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000210814_100000059175 [0,0,0,0,0,1|2,1,0]=4 6885 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CF 62a_100000210814_100015614560 [0,0,0,0,0,1|2,1,0]=4 6886 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CF 62a_100015614560_100000210814 [0,0,0,0,0,1|2,1,0]=4 6887 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100000210814_100009815848 [0,0,0,0,0,1|1,1,0]=3 6888 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000210814 [0,0,0,0,0,1|1,1,0]=3 6889 B14R1.13 Cc1ccc(cc1)NN=CC(O)CO 4a_100000683527_100000033539 [0,0,0,0,0,1|2,0,1]=4 6890 B14R1.13 Cc1ccc(cc1)OCCC(=O)CO 1458a_100000210174_100000183172 [0,0,0,0,0,1|1,0,2]=4 6891 B14R1.13 Cc1ccc(cn1)CNCC(O)CO 34a_100000740942_100011219619 [0,0,0,0,0,1|3,0,0]=4 6892 B14R1.13 Cc1ccc(cn1)CNC[C@@H](O)CO 34a_100000740942_100009815848 [0,0,0,0,0,1|3,0,0]=4 6893 B14R1.13 Cc1ccc(cn1)CNC[C@H](O)CO 2230a_100020644852_100016987292 [0,0,0,0,0,1|3,0,0]=4 6894 B14R1.13 Cc1ccc(cn1)COCC(O)CO 34a_100011248133_100011219619 [0,0,0,0,0,1|2,0,0]=3 6895 B14R1.13 Cc1ccc(cn1)COC[C@@H](C)CO 34a_100011248133_100000059175 [0,0,0,0,0,1|3,0,0]=4 6896 B14R1.13 Cc1ccc(cn1)COC[C@@H](O)CF 34a_100011248133_100015614560 [0,0,0,0,0,1|3,0,0]=4 6897 B14R1.13 Cc1ccc(cn1)COC[C@@H](O)CO 34a_100011248133_100009815848 [0,0,0,0,0,1|2,0,0]=3 6898 B14R1.13 Cc1ccc(cn1)CSCC(O)CO 62a_100011219619_100016987292 [0,0,0,0,0,1|2,1,0]=4 6899 B14R1.13 Cc1ccc(cn1)CSCC(O)CO 62a_100016987292_100011219619 [0,0,0,0,0,1|2,1,0]=4 6900 B14R1.13 Cc1ccc(cn1)CSC[C@@H](O)CO 62a_100009815848_100016987292 [0,0,0,0,0,1|2,1,0]=4 6901 B14R1.13 Cc1ccc(cn1)CSC[C@@H](O)CO 62a_100016987292_100009815848 [0,0,0,0,0,1|2,1,0]=4 6902 B14R1.13 Cc1ccc(nc1)CNCC(O)CO 34a_100015187455_100011219619 [0,0,0,0,0,1|3,0,0]=4 6903 B14R1.13 Cc1ccc(nc1)CNC[C@@H](O)CO 34a_100015187455_100009815848 [0,0,0,0,0,1|3,0,0]=4 6904 B14R1.13 Cc1ccc(nc1)CNC[C@H](O)CO 207a_100020644852_100000050478 [0,0,0,0,0,1|3,0,0]=4 6905 B14R1.13 Cc1ccc(nc1)CNC[C@H](O)CO 2230a_100020644852_100000691093 [0,0,0,0,0,1|3,0,0]=4 6906 B14R1.13 Cc1ccc(nc1)COCC(O)CO 34a_100012001401_100011219619 [0,0,0,0,0,1|2,0,0]=3 6907 B14R1.13 Cc1ccc(nc1)COC[C@@H](C)CO 34a_100012001401_100000059175 [0,0,0,0,0,1|3,0,0]=4 6908 B14R1.13 Cc1ccc(nc1)COC[C@@H](O)CF 34a_100012001401_100015614560 [0,0,0,0,0,1|3,0,0]=4 6909 B14R1.13 Cc1ccc(nc1)COC[C@@H](O)CO 34a_100012001401_100009815848 [0,0,0,0,0,1|2,0,0]=3 6910 B14R1.13 Cc1ccc(nc1)CSCC(O)CO 62a_100000691093_100011219619 [0,0,0,0,0,1|2,1,0]=4 6911 B14R1.13 Cc1ccc(nc1)CSCC(O)CO 62a_100011219619_100000691093 [0,0,0,0,0,1|2,1,0]=4 6912 B14R1.13 Cc1ccc(nc1)CSC[C@@H](O)CO 62a_100000691093_100009815848 [0,0,0,0,0,1|2,1,0]=4 6913 B14R1.13 Cc1ccc(nc1)CSC[C@@H](O)CO 62a_100009815848_100000691093 [0,0,0,0,0,1|2,1,0]=4 6914 B14R1.13 Cc1cnc(cn1)COCC(O)CO 34a_100011273949_100011219619 [0,0,0,0,0,1|3,0,0]=4 6915 B14R1.13 Cc1cnc(cn1)COC[C@@H](O)CO 34a_100011273949_100009815848 [0,0,0,0,0,1|3,0,0]=4 6916 B14R1.13 Cc1ncc(cn1)COCC(O)CO 34a_100011746891_100011219619 [0,0,0,0,0,1|3,0,0]=4 6917 B14R1.13 Cc1ncc(cn1)COC[C@@H](O)CO 34a_100011746891_100009815848 [0,0,0,0,0,1|3,0,0]=4 6918 B14R1.13 ClCC(Cl)COCc1ccc(cc1)Br 34a_100000033668_100000189115 [0,0,0,0,0,1|2,1,0]=4 6919 B14R1.13 ClCC(Cl)COCc1ccc(cc1)Cl 34a_100000033668_100000694040 [0,0,0,0,0,1|2,0,0]=3 6920 B14R1.13 ClCC(Cl)COCc1ccc(cc1)I 34a_100000033668_100000189116 [0,0,0,0,0,1|2,1,0]=4 6921 B14R1.13 ClCC(Cl)COCc1ccc(cn1)Cl 34a_100000033668_100012066911 [0,0,0,0,0,1|3,0,0]=4 6922 B14R1.13 ClCC(Cl)COCc1ccc(nc1)Cl 34a_100000033668_100000735431 [0,0,0,0,0,1|3,0,0]=4 6923 B14R1.13 Fc1ccc(cc1)COCC(Cl)CCl 34a_100000033668_100000198546 [0,0,0,0,0,1|2,1,0]=4 6924 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)Br 34a_100015665980_100000189115 [0,0,0,0,0,1|2,1,0]=4 6925 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)Cl 34a_100015665980_100000694040 [0,0,0,0,0,1|2,0,0]=3 6926 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)F 34a_100015665980_100000198546 [0,0,0,0,0,1|2,1,0]=4 6927 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)I 34a_100015665980_100000189116 [0,0,0,0,0,1|2,1,0]=4 6928 B14R1.13 NC[C@@H](F)COCc1ccc(cn1)Cl 34a_100015665980_100012066911 [0,0,0,0,0,1|3,0,0]=4 6929 B14R1.13 NC[C@@H](F)COCc1ccc(nc1)Cl 34a_100015665980_100000735431 [0,0,0,0,0,1|3,0,0]=4 6930 B14R1.13 Nc1ccc(cc1)COCC(O)CO 34a_100011215238_100011219619 [0,0,0,0,0,1|1,0,0]=2 6931 B14R1.13 Nc1ccc(cc1)COC[C@@H](O)CF 34a_100011215238_100015614560 [0,0,0,0,0,1|2,0,0]=3 6932 B14R1.13 Nc1ccc(cc1)COC[C@@H](O)CO 34a_100011215238_100009815848 [0,0,0,0,0,1|1,0,0]=2 6933 B14R1.13 Nc1ccc(cn1)COCC(O)CO 34a_100000704267_100011219619 [0,0,0,0,0,1|2,0,0]=3 6934 B14R1.13 Nc1ccc(cn1)COC[C@@H](O)CF 34a_100000704267_100015614560 [0,0,0,0,0,1|3,0,0]=4 6935 B14R1.13 Nc1ccc(cn1)COC[C@@H](O)CO 34a_100000704267_100009815848 [0,0,0,0,0,1|2,0,0]=3 6936 B14R1.13 Nc1ccc(nc1)COCC(O)CO 34a_100011998161_100011219619 [0,0,0,0,0,1|2,0,0]=3 6937 B14R1.13 Nc1ccc(nc1)COC[C@@H](O)CF 34a_100011998161_100015614560 [0,0,0,0,0,1|3,0,0]=4 6938 B14R1.13 Nc1ccc(nc1)COC[C@@H](O)CO 34a_100011998161_100009815848 [0,0,0,0,0,1|2,0,0]=3 6939 B14R1.13 O=C(CF)CCOc1ccc(cc1)Cl 1458a_100000186438_100015361967 [0,0,0,0,0,1|1,0,2]=4 6940 B14R1.13 O=C(CO)CCCc1ccc(cc1)Cl 1458a_100000210174_100000759440 [0,0,0,0,0,1|1,0,2]=4 6941 B14R1.13 O=C(CO)CCOc1ccc(cc1)Br 1458a_100000210174_100000183278 [0,0,0,0,0,1|0,1,2]=4 6942 B14R1.13 O=C(CO)CCOc1ccc(cc1)Cl 1458a_100000210174_100000184122 [0,0,0,0,0,1|0,0,2]=3 6943 B14R1.13 O=C(CO)CCOc1ccc(cc1)F 1458a_100000210174_100000184936 [0,0,0,0,0,1|0,1,2]=4 6944 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 240690a_100000185265_100000210174 [0,0,0,0,0,1|1,0,2]=4 6945 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 527a_100000185265_100000210174 [0,0,0,0,0,1|1,0,2]=4 6946 B14R1.13 O=c1ccc(c[nH]1)COCC(O)CO 34a_100011999846_100011219619 [0,0,0,0,0,1|2,0,0]=3 6947 B14R1.13 O=c1ccc(c[nH]1)COC[C@@H](O)CF 34a_100011999846_100015614560 [0,0,0,0,0,1|3,0,0]=4 6948 B14R1.13 O=c1ccc(c[nH]1)COC[C@@H](O)CO 34a_100011999846_100009815848 [0,0,0,0,0,1|2,0,0]=3 6949 B14R1.13 OCC(O)C=NNc1ccc(cc1)Br 4a_100000735608_100000033539 [0,0,0,0,0,1|1,1,1]=4 6950 B14R1.13 OCC(O)C=NNc1ccc(cc1)Cl 4a_100000683521_100000033539 [0,0,0,0,0,1|1,0,1]=3 6951 B14R1.13 OCC(O)C=NNc1ccc(cc1)F 4a_100000728448_100000033539 [0,0,0,0,0,1|1,1,1]=4 6952 B14R1.13 OCC(O)C=NNc1ccc(cc1)I 4a_100016988836_100000033539 [0,0,0,0,0,1|1,1,1]=4 6953 B14R1.13 OCC(O)C=NNc1ccc(cn1)Cl 4a_100011206499_100000033539 [0,0,0,0,0,1|2,0,1]=4 6954 B14R1.13 OCC(O)C=NNc1ccc(nc1)Cl 4a_100000119030_100000033539 [0,0,0,0,0,1|2,0,1]=4 6955 B14R1.13 OCC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011219619 [0,0,0,0,0,1|1,1,0]=3 6956 B14R1.13 OCC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011219619 [0,0,0,0,0,1|1,1,0]=3 6957 B14R1.13 OCC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011219619 [0,0,0,0,0,1|1,0,0]=2 6958 B14R1.13 OCC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011219619 [0,0,0,0,0,1|1,0,0]=2 6959 B14R1.13 OCC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011219619 [0,0,0,0,0,1|1,1,0]=3 6960 B14R1.13 OCC(O)CNCc1ccc(cc1)F 34a_100000174882_100011219619 [0,0,0,0,0,1|1,1,0]=3 6961 B14R1.13 OCC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011219619 [0,0,0,0,0,1|1,1,0]=3 6962 B14R1.13 OCC(O)CNCc1ccc(cc1)I 34a_100016989417_100011219619 [0,0,0,0,0,1|1,1,0]=3 6963 B14R1.13 OCC(O)CNCc1ccc(cc1)O 34a_100000185549_100011219619 [0,0,0,0,0,1|2,0,0]=3 6964 B14R1.13 OCC(O)CNCc1ccc(cn1)Br 34a_100015188789_100011219619 [0,0,0,0,0,1|2,1,0]=4 6965 B14R1.13 OCC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011219619 [0,0,0,0,0,1|2,0,0]=3 6966 B14R1.13 OCC(O)CNCc1ccc(cn1)F 34a_100020620131_100011219619 [0,0,0,0,0,1|2,1,0]=4 6967 B14R1.13 OCC(O)CNCc1ccc(nc1)Br 2230a_100009817727_100011219619 [0,0,0,0,0,1|2,1,0]=4 6968 B14R1.13 OCC(O)CNCc1ccc(nc1)Br 34a_100009817727_100011219619 [0,0,0,0,0,1|2,1,0]=4 6969 B14R1.13 OCC(O)CNCc1ccc(nc1)Cl 2230a_100000735879_100011219619 [0,0,0,0,0,1|2,0,0]=3 6970 B14R1.13 OCC(O)CNCc1ccc(nc1)Cl 34a_100000735879_100011219619 [0,0,0,0,0,1|2,0,0]=3 6971 B14R1.13 OCC(O)CNCc1ccc(nc1)F 2230a_100000101913_100011219619 [0,0,0,0,0,1|2,1,0]=4 6972 B14R1.13 OCC(O)CNCc1ccc(nc1)F 34a_100000101913_100011219619 [0,0,0,0,0,1|2,1,0]=4 6973 B14R1.13 OCC(O)CNCc1ccc(nc1)O 2230a_100000757128_100011219619 [0,0,0,0,0,1|3,0,0]=4 6974 B14R1.13 OCC(O)COCc1ccc(cc1)Br 34a_100000695286_100011219619 [0,0,0,0,0,1|0,1,0]=2 6975 B14R1.13 OCC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011219619 [0,0,0,0,0,1|0,0,0]=1 6976 B14R1.13 OCC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011219619 [0,0,0,0,0,1|0,0,0]=1 6977 B14R1.13 OCC(O)COCc1ccc(cc1)F 34a_100000210977_100011219619 [0,0,0,0,0,1|0,1,0]=2 6978 B14R1.13 OCC(O)COCc1ccc(cc1)F 7a_100000210977_100011219619 [0,0,0,0,0,1|0,1,0]=2 6979 B14R1.13 OCC(O)COCc1ccc(cc1)I 34a_100000690907_100011219619 [0,0,0,0,0,1|0,1,0]=2 6980 B14R1.13 OCC(O)COCc1ccc(cc1)I 7a_100000690907_100011219619 [0,0,0,0,0,1|0,1,0]=2 6981 B14R1.13 OCC(O)COCc1ccc(cn1)Br 34a_100000754261_100011219619 [0,0,0,0,0,1|1,1,0]=3 6982 B14R1.13 OCC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011219619 [0,0,0,0,0,1|1,0,0]=2 6983 B14R1.13 OCC(O)COCc1ccc(cn1)F 34a_100011999454_100011219619 [0,0,0,0,0,1|1,1,0]=3 6984 B14R1.13 OCC(O)COCc1ccc(nc1)Br 34a_100009816760_100011219619 [0,0,0,0,0,1|1,1,0]=3 6985 B14R1.13 OCC(O)COCc1ccc(nc1)Br 7a_100009816760_100011219619 [0,0,0,0,0,1|1,1,0]=3 6986 B14R1.13 OCC(O)COCc1ccc(nc1)Cl 34a_100000755211_100011219619 [0,0,0,0,0,1|1,0,0]=2 6987 B14R1.13 OCC(O)COCc1ccc(nc1)Cl 7a_100000755211_100011219619 [0,0,0,0,0,1|1,0,0]=2 6988 B14R1.13 OCC(O)COCc1ccc(nc1)F 34a_100000079959_100011219619 [0,0,0,0,0,1|1,1,0]=3 6989 B14R1.13 OCC(O)COCc1cnc(cn1)Cl 34a_100012002382_100011219619 [0,0,0,0,0,1|2,0,0]=3 6990 B14R1.13 OCC(O)COCc1cnc(nc1)Cl 34a_100009855073_100011219619 [0,0,0,0,0,1|2,0,0]=3 6991 B14R1.13 OCC(O)COCc1cnc(nc1)Cl 7a_100009855073_100011219619 [0,0,0,0,0,1|2,0,0]=3 6992 B14R1.13 OCC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011219619 [0,0,0,0,0,1|0,2,0]=3 6993 B14R1.13 OCC(O)CSCc1ccc(cc1)Br 62a_100011219619_100000189115 [0,0,0,0,0,1|0,2,0]=3 6994 B14R1.13 OCC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011219619 [0,0,0,0,0,1|0,1,0]=2 6995 B14R1.13 OCC(O)CSCc1ccc(cc1)Cl 62a_100011219619_100000187161 [0,0,0,0,0,1|0,1,0]=2 6996 B14R1.13 OCC(O)CSCc1ccc(cc1)F 62a_100000198546_100011219619 [0,0,0,0,0,1|0,2,0]=3 6997 B14R1.13 OCC(O)CSCc1ccc(cc1)F 62a_100011219619_100000187164 [0,0,0,0,0,1|0,2,0]=3 6998 B14R1.13 OCC(O)CSCc1ccc(cc1)I 62a_100000189116_100011219619 [0,0,0,0,0,1|0,2,0]=3 6999 B14R1.13 OCC(O)CSCc1ccc(cc1)I 62a_100011219619_100000189116 [0,0,0,0,0,1|0,2,0]=3 7000 B14R1.13 OCC(O)CSCc1ccc(cn1)Br 62a_100000702658_100011219619 [0,0,0,0,0,1|1,2,0]=4 7001 B14R1.13 OCC(O)CSCc1ccc(cn1)Br 62a_100011219619_100000702658 [0,0,0,0,0,1|1,2,0]=4 7002 B14R1.13 OCC(O)CSCc1ccc(cn1)Cl 62a_100011219619_100000697101 [0,0,0,0,0,1|1,1,0]=3 7003 B14R1.13 OCC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011219619 [0,0,0,0,0,1|1,1,0]=3 7004 B14R1.13 OCC(O)CSCc1ccc(cn1)F 62a_100000703193_100011219619 [0,0,0,0,0,1|1,2,0]=4 7005 B14R1.13 OCC(O)CSCc1ccc(cn1)F 62a_100011219619_100000703193 [0,0,0,0,0,1|1,2,0]=4 7006 B14R1.13 OCC(O)CSCc1ccc(nc1)Br 62a_100009831999_100011219619 [0,0,0,0,0,1|1,2,0]=4 7007 B14R1.13 OCC(O)CSCc1ccc(nc1)Br 62a_100011219619_100009831999 [0,0,0,0,0,1|1,2,0]=4 7008 B14R1.13 OCC(O)CSCc1ccc(nc1)Cl 62a_100000735431_100011219619 [0,0,0,0,0,1|1,1,0]=3 7009 B14R1.13 OCC(O)CSCc1ccc(nc1)Cl 62a_100011219619_100000735431 [0,0,0,0,0,1|1,1,0]=3 7010 B14R1.13 OCC(O)CSCc1ccc(nc1)F 62a_100009820150_100011219619 [0,0,0,0,0,1|1,2,0]=4 7011 B14R1.13 OCC(O)CSCc1ccc(nc1)F 62a_100011219619_100000099788 [0,0,0,0,0,1|1,2,0]=4 7012 B14R1.13 OCC(O)CSCc1ccc(nn1)Cl 62a_100011219619_100016992710 [0,0,0,0,0,1|2,1,0]=4 7013 B14R1.13 OCC(O)CSCc1ccc(nn1)Cl 62a_100016992710_100011219619 [0,0,0,0,0,1|2,1,0]=4 7014 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Br 207a_100020644852_100000186029 [0,0,0,0,0,1|1,1,0]=3 7015 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Br 2230a_100020644852_100011217064 [0,0,0,0,0,1|1,1,0]=3 7016 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Cl 207a_100020644852_100000189385 [0,0,0,0,0,1|1,0,0]=2 7017 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100020644852_100000694040 [0,0,0,0,0,1|1,0,0]=2 7018 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)F 207a_100020644852_100000210084 [0,0,0,0,0,1|1,1,0]=3 7019 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)F 2230a_100020644852_100000198546 [0,0,0,0,0,1|1,1,0]=3 7020 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)I 207a_100020644852_100000188517 [0,0,0,0,0,1|1,1,0]=3 7021 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)I 2230a_100020644852_100000189116 [0,0,0,0,0,1|1,1,0]=3 7022 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Br 207a_100020644852_100000754260 [0,0,0,0,0,1|2,1,0]=4 7023 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Br 2230a_100020644852_100000702658 [0,0,0,0,0,1|2,1,0]=4 7024 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Cl 207a_100020644852_100011361569 [0,0,0,0,0,1|2,0,0]=3 7025 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Cl 2230a_100020644852_100012066911 [0,0,0,0,0,1|2,0,0]=3 7026 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)F 207a_100020644852_100011934744 [0,0,0,0,0,1|2,1,0]=4 7027 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)F 2230a_100020644852_100000703193 [0,0,0,0,0,1|2,1,0]=4 7028 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)Br 2230a_100020644852_100009831999 [0,0,0,0,0,1|2,1,0]=4 7029 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)Cl 2230a_100020644852_100000735431 [0,0,0,0,0,1|2,0,0]=3 7030 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)F 2230a_100020644852_100009820150 [0,0,0,0,0,1|2,1,0]=4 7031 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)O 207a_100020644852_100011361521 [0,0,0,0,0,1|3,0,0]=4 7032 B14R1.13 OC[C@@H](O)CNCc1ccc(nn1)Cl 2230a_100020644852_100016992710 [0,0,0,0,0,1|3,0,0]=4 7033 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Br 207a_100015665980_100000186029 [0,0,0,0,0,1|2,1,0]=4 7034 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Br 270004a_100015665980_100000186029 [0,0,0,0,0,1|2,1,0]=4 7035 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Br 34a_100015665980_100000189115 [0,0,0,0,0,1|2,1,0]=4 7036 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Cl 207a_100015665980_100000189385 [0,0,0,0,0,1|2,0,0]=3 7037 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Cl 270004a_100015665980_100000189385 [0,0,0,0,0,1|2,0,0]=3 7038 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Cl 34a_100015665980_100000694040 [0,0,0,0,0,1|2,0,0]=3 7039 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)F 207a_100015665980_100000210084 [0,0,0,0,0,1|2,1,0]=4 7040 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)F 270004a_100015665980_100000210084 [0,0,0,0,0,1|2,1,0]=4 7041 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)F 34a_100015665980_100000198546 [0,0,0,0,0,1|2,1,0]=4 7042 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)I 207a_100015665980_100000188517 [0,0,0,0,0,1|2,1,0]=4 7043 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)I 34a_100015665980_100000189116 [0,0,0,0,0,1|2,1,0]=4 7044 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Cl 207a_100015665980_100011361569 [0,0,0,0,0,1|3,0,0]=4 7045 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Cl 270004a_100015665980_100011361569 [0,0,0,0,0,1|3,0,0]=4 7046 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Cl 34a_100015665980_100012066911 [0,0,0,0,0,1|3,0,0]=4 7047 B14R1.13 OC[C@H](F)CNCc1ccc(nc1)Cl 34a_100015665980_100000735431 [0,0,0,0,0,1|3,0,0]=4 7048 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009815848 [0,0,0,0,0,1|1,1,0]=3 7049 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009815848 [0,0,0,0,0,1|1,1,0]=3 7050 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009815848 [0,0,0,0,0,1|1,0,0]=2 7051 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009815848 [0,0,0,0,0,1|1,0,0]=2 7052 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009815848 [0,0,0,0,0,1|1,1,0]=3 7053 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009815848 [0,0,0,0,0,1|1,1,0]=3 7054 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009815848 [0,0,0,0,0,1|1,1,0]=3 7055 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009815848 [0,0,0,0,0,1|1,1,0]=3 7056 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009815848 [0,0,0,0,0,1|2,0,0]=3 7057 B14R1.13 OC[C@H](O)CNCc1ccc(cn1)Br 34a_100015188789_100009815848 [0,0,0,0,0,1|2,1,0]=4 7058 B14R1.13 OC[C@H](O)CNCc1ccc(cn1)Cl 34a_100000697193_100009815848 [0,0,0,0,0,1|2,0,0]=3 7059 B14R1.13 OC[C@H](O)CNCc1ccc(cn1)F 34a_100020620131_100009815848 [0,0,0,0,0,1|2,1,0]=4 7060 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Br 2230a_100009817727_100009815848 [0,0,0,0,0,1|2,1,0]=4 7061 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Br 34a_100009817727_100009815848 [0,0,0,0,0,1|2,1,0]=4 7062 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Cl 2230a_100000735879_100009815848 [0,0,0,0,0,1|2,0,0]=3 7063 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Cl 34a_100000735879_100009815848 [0,0,0,0,0,1|2,0,0]=3 7064 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)F 2230a_100000101913_100009815848 [0,0,0,0,0,1|2,1,0]=4 7065 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)F 34a_100000101913_100009815848 [0,0,0,0,0,1|2,1,0]=4 7066 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)O 2230a_100000757128_100009815848 [0,0,0,0,0,1|3,0,0]=4 7067 B14R1.13 OC[C@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009815848 [0,0,0,0,0,1|0,1,0]=2 7068 B14R1.13 OC[C@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009815848 [0,0,0,0,0,1|0,0,0]=1 7069 B14R1.13 OC[C@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009815848 [0,0,0,0,0,1|0,0,0]=1 7070 B14R1.13 OC[C@H](O)COCc1ccc(cc1)F 34a_100000210977_100009815848 [0,0,0,0,0,1|0,1,0]=2 7071 B14R1.13 OC[C@H](O)COCc1ccc(cc1)F 7a_100000210977_100009815848 [0,0,0,0,0,1|0,1,0]=2 7072 B14R1.13 OC[C@H](O)COCc1ccc(cc1)I 34a_100000690907_100009815848 [0,0,0,0,0,1|0,1,0]=2 7073 B14R1.13 OC[C@H](O)COCc1ccc(cc1)I 7a_100000690907_100009815848 [0,0,0,0,0,1|0,1,0]=2 7074 B14R1.13 OC[C@H](O)COCc1ccc(cn1)Br 34a_100000754261_100009815848 [0,0,0,0,0,1|1,1,0]=3 7075 B14R1.13 OC[C@H](O)COCc1ccc(cn1)Cl 34a_100000703999_100009815848 [0,0,0,0,0,1|1,0,0]=2 7076 B14R1.13 OC[C@H](O)COCc1ccc(cn1)F 34a_100011999454_100009815848 [0,0,0,0,0,1|1,1,0]=3 7077 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Br 34a_100009816760_100009815848 [0,0,0,0,0,1|1,1,0]=3 7078 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Br 7a_100009816760_100009815848 [0,0,0,0,0,1|1,1,0]=3 7079 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Cl 34a_100000755211_100009815848 [0,0,0,0,0,1|1,0,0]=2 7080 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Cl 7a_100000755211_100009815848 [0,0,0,0,0,1|1,0,0]=2 7081 B14R1.13 OC[C@H](O)COCc1ccc(nc1)F 34a_100000079959_100009815848 [0,0,0,0,0,1|1,1,0]=3 7082 B14R1.13 OC[C@H](O)COCc1cnc(cn1)Cl 34a_100012002382_100009815848 [0,0,0,0,0,1|2,0,0]=3 7083 B14R1.13 OC[C@H](O)COCc1cnc(nc1)Cl 34a_100009855073_100009815848 [0,0,0,0,0,1|2,0,0]=3 7084 B14R1.13 OC[C@H](O)COCc1cnc(nc1)Cl 7a_100009855073_100009815848 [0,0,0,0,0,1|2,0,0]=3 7085 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009815848 [0,0,0,0,0,1|0,2,0]=3 7086 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Br 62a_100009815848_100000189115 [0,0,0,0,0,1|0,2,0]=3 7087 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009815848 [0,0,0,0,0,1|0,1,0]=2 7088 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Cl 62a_100009815848_100000187161 [0,0,0,0,0,1|0,1,0]=2 7089 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009815848 [0,0,0,0,0,1|0,2,0]=3 7090 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)F 62a_100009815848_100000187164 [0,0,0,0,0,1|0,2,0]=3 7091 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009815848 [0,0,0,0,0,1|0,2,0]=3 7092 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)I 62a_100009815848_100000189116 [0,0,0,0,0,1|0,2,0]=3 7093 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Br 62a_100000702658_100009815848 [0,0,0,0,0,1|1,2,0]=4 7094 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Br 62a_100009815848_100000702658 [0,0,0,0,0,1|1,2,0]=4 7095 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Cl 62a_100009815848_100000697101 [0,0,0,0,0,1|1,1,0]=3 7096 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Cl 62a_100012066911_100009815848 [0,0,0,0,0,1|1,1,0]=3 7097 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)F 62a_100000703193_100009815848 [0,0,0,0,0,1|1,2,0]=4 7098 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)F 62a_100009815848_100000703193 [0,0,0,0,0,1|1,2,0]=4 7099 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Br 62a_100009815848_100009831999 [0,0,0,0,0,1|1,2,0]=4 7100 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Br 62a_100009831999_100009815848 [0,0,0,0,0,1|1,2,0]=4 7101 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Cl 62a_100000735431_100009815848 [0,0,0,0,0,1|1,1,0]=3 7102 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Cl 62a_100009815848_100000735431 [0,0,0,0,0,1|1,1,0]=3 7103 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)F 62a_100009815848_100000099788 [0,0,0,0,0,1|1,2,0]=4 7104 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)F 62a_100009820150_100009815848 [0,0,0,0,0,1|1,2,0]=4 7105 B14R1.13 OC[C@H](O)CSCc1ccc(nn1)Cl 62a_100009815848_100016992710 [0,0,0,0,0,1|2,1,0]=4 7106 B14R1.13 OC[C@H](O)CSCc1ccc(nn1)Cl 62a_100016992710_100009815848 [0,0,0,0,0,1|2,1,0]=4 7107 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Br 2230a_100000174875_100015614560 [0,0,0,0,0,1|2,1,0]=4 7108 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Br 34a_100000174875_100015614560 [0,0,0,0,0,1|2,1,0]=4 7109 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Cl 2230a_100000174871_100015614560 [0,0,0,0,0,1|2,0,0]=3 7110 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Cl 34a_100000174871_100015614560 [0,0,0,0,0,1|2,0,0]=3 7111 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)F 2230a_100000174882_100015614560 [0,0,0,0,0,1|2,1,0]=4 7112 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)F 34a_100000174882_100015614560 [0,0,0,0,0,1|2,1,0]=4 7113 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)I 2230a_100016989417_100015614560 [0,0,0,0,0,1|2,1,0]=4 7114 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)I 34a_100016989417_100015614560 [0,0,0,0,0,1|2,1,0]=4 7115 B14R1.13 O[C@@H](CF)CNCc1ccc(cn1)Cl 34a_100000697193_100015614560 [0,0,0,0,0,1|3,0,0]=4 7116 B14R1.13 O[C@@H](CF)CNCc1ccc(nc1)Cl 2230a_100000735879_100015614560 [0,0,0,0,0,1|3,0,0]=4 7117 B14R1.13 O[C@@H](CF)CNCc1ccc(nc1)Cl 34a_100000735879_100015614560 [0,0,0,0,0,1|3,0,0]=4 7118 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)Br 34a_100000695286_100015614560 [0,0,0,0,0,1|1,1,0]=3 7119 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)Cl 34a_100000211118_100015614560 [0,0,0,0,0,1|1,0,0]=2 7120 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)Cl 7a_100000211118_100015614560 [0,0,0,0,0,1|1,0,0]=2 7121 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)F 34a_100000210977_100015614560 [0,0,0,0,0,1|1,1,0]=3 7122 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)F 7a_100000210977_100015614560 [0,0,0,0,0,1|1,1,0]=3 7123 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)I 34a_100000690907_100015614560 [0,0,0,0,0,1|1,1,0]=3 7124 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)I 7a_100000690907_100015614560 [0,0,0,0,0,1|1,1,0]=3 7125 B14R1.13 O[C@@H](CF)COCc1ccc(cn1)Br 34a_100000754261_100015614560 [0,0,0,0,0,1|2,1,0]=4 7126 B14R1.13 O[C@@H](CF)COCc1ccc(cn1)Cl 34a_100000703999_100015614560 [0,0,0,0,0,1|2,0,0]=3 7127 B14R1.13 O[C@@H](CF)COCc1ccc(cn1)F 34a_100011999454_100015614560 [0,0,0,0,0,1|2,1,0]=4 7128 B14R1.13 O[C@@H](CF)COCc1ccc(nc1)Br 34a_100009816760_100015614560 [0,0,0,0,0,1|2,1,0]=4 7129 B14R1.13 O[C@@H](CF)COCc1ccc(nc1)Br 7a_100009816760_100015614560 [0,0,0,0,0,1|2,1,0]=4 7130 B14R1.13 O[C@@H](CF)COCc1ccc(nc1)Cl 34a_100000755211_100015614560 [0,0,0,0,0,1|2,0,0]=3 7131 B14R1.13 O[C@@H](CF)COCc1ccc(nc1)Cl 7a_100000755211_100015614560 [0,0,0,0,0,1|2,0,0]=3 7132 B14R1.13 O[C@@H](CF)COCc1ccc(nc1)F 34a_100000079959_100015614560 [0,0,0,0,0,1|2,1,0]=4 7133 B14R1.13 O[C@@H](CF)COCc1cnc(cn1)Cl 34a_100012002382_100015614560 [0,0,0,0,0,1|3,0,0]=4 7134 B14R1.13 O[C@@H](CF)COCc1cnc(nc1)Cl 34a_100009855073_100015614560 [0,0,0,0,0,1|3,0,0]=4 7135 B14R1.13 O[C@@H](CF)COCc1cnc(nc1)Cl 7a_100009855073_100015614560 [0,0,0,0,0,1|3,0,0]=4 7136 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Br 62a_100000189115_100015614560 [0,0,0,0,0,1|1,2,0]=4 7137 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Br 62a_100015614560_100000189115 [0,0,0,0,0,1|1,2,0]=4 7138 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Cl 62a_100000187161_100015614560 [0,0,0,0,0,1|1,1,0]=3 7139 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Cl 62a_100015614560_100000187161 [0,0,0,0,0,1|1,1,0]=3 7140 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)F 62a_100000198546_100015614560 [0,0,0,0,0,1|1,2,0]=4 7141 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)F 62a_100015614560_100000187164 [0,0,0,0,0,1|1,2,0]=4 7142 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)I 62a_100000189116_100015614560 [0,0,0,0,0,1|1,2,0]=4 7143 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)I 62a_100015614560_100000189116 [0,0,0,0,0,1|1,2,0]=4 7144 B14R1.13 O[C@@H](CF)CSCc1ccc(cn1)Cl 62a_100012066911_100015614560 [0,0,0,0,0,1|2,1,0]=4 7145 B14R1.13 O[C@@H](CF)CSCc1ccc(cn1)Cl 62a_100015614560_100000697101 [0,0,0,0,0,1|2,1,0]=4 7146 B14R1.13 O[C@@H](CF)CSCc1ccc(nc1)Cl 62a_100000735431_100015614560 [0,0,0,0,0,1|2,1,0]=4 7147 B14R1.13 O[C@@H](CF)CSCc1ccc(nc1)Cl 62a_100015614560_100000735431 [0,0,0,0,0,1|2,1,0]=4 7148 B14R1.13 Oc1ccc(cc1)CNC[C@@H](O)CF 34a_100000185549_100015614560 [0,0,0,0,0,1|3,0,0]=4 7149 B14R1.13 [O-][n+]1ccc(cc1)COCC(O)CO 34a_100000031831_100011219619 [0,0,0,0,0,1|2,0,0]=3 7150 B14R1.13 [O-][n+]1ccc(cc1)COCC(O)CO 7a_100000031831_100011219619 [0,0,0,0,0,1|2,0,0]=3 7151 B14R1.13 [O-][n+]1ccc(cc1)COC[C@@H](O)CF 34a_100000031831_100015614560 [0,0,0,0,0,1|3,0,0]=4 7152 B14R1.13 [O-][n+]1ccc(cc1)COC[C@@H](O)CF 7a_100000031831_100015614560 [0,0,0,0,0,1|3,0,0]=4 7153 B14R1.13 [O-][n+]1ccc(cc1)COC[C@@H](O)CO 34a_100000031831_100009815848 [0,0,0,0,0,1|2,0,0]=3 7154 B14R1.13 [O-][n+]1ccc(cc1)COC[C@@H](O)CO 7a_100000031831_100009815848 [0,0,0,0,0,1|2,0,0]=3 7155 B11R0.40 C/C=C/C=C/COCC(O)CO 34a_100016283227_100011219619 [1,0,1,0,0,0|0,0,2]=4 7156 B11R0.40 C/C=C/C=C/COC[C@@H](O)CO 34a_100016283227_100009815848 [1,0,1,0,0,0|0,0,2]=4 7157 B11R0.134 C=CCC(C=C)OCC(O)CO 34a_100000038011_100011219619 [1,0,1,0,0,0|0,0,2]=4 7158 B11R0.134 C=CCC(C=C)OCC(O)CO 7a_100000038011_100011219619 [1,0,1,0,0,0|0,0,2]=4 7159 B11R0.134 C=CCC(C=C)OC[C@@H](O)CO 34a_100000038011_100009815848 [1,0,1,0,0,0|0,0,2]=4 7160 B11R0.134 C=CCC(C=C)OC[C@@H](O)CO 7a_100000038011_100009815848 [1,0,1,0,0,0|0,0,2]=4 7161 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [2,0,0,0,0,0|0,0,2]=4 7162 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [2,0,0,0,0,0|0,0,2]=4 7163 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [2,0,0,0,0,0|0,0,2]=4 7164 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [2,0,0,0,0,0|0,0,2]=4 7165 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [2,0,0,0,0,0|1,1,0]=4 7166 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [2,0,0,0,0,0|2,0,0]=4 7167 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [2,0,0,0,0,0|1,0,0]=3 7168 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [2,0,0,0,0,0|1,1,0]=4 7169 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [2,0,0,0,0,0|2,0,0]=4 7170 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [2,0,0,0,0,0|2,0,0]=4 7171 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [2,0,0,0,0,0|2,0,0]=4 7172 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [2,0,0,0,0,0|2,0,0]=4 7173 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [2,0,0,0,0,0|2,0,0]=4 7174 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [2,0,0,0,0,0|1,1,0]=4 7175 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [2,0,0,0,0,0|1,1,0]=4 7176 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [2,0,0,0,0,0|2,0,0]=4 7177 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [2,0,0,0,0,0|1,0,0]=3 7178 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [2,0,0,0,0,0|1,0,0]=3 7179 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [2,0,0,0,0,0|1,1,0]=4 7180 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [2,0,0,0,0,0|1,1,0]=4 7181 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [2,0,0,0,0,0|2,0,0]=4 7182 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [2,0,0,0,0,0|2,0,0]=4 7183 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [2,0,0,0,0,0|0,1,0]=3 7184 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [2,0,0,0,0,0|0,1,0]=3 7185 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [2,0,0,0,0,0|1,0,0]=3 7186 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [2,0,0,0,0,0|1,0,0]=3 7187 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [2,0,0,0,0,0|0,0,0]=2 7188 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [2,0,0,0,0,0|0,0,0]=2 7189 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [2,0,0,0,0,0|0,1,0]=3 7190 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [2,0,0,0,0,0|0,1,0]=3 7191 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [2,0,0,0,0,0|0,1,0]=3 7192 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [2,0,0,0,0,0|1,0,0]=3 7193 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [2,0,0,0,0,0|1,0,0]=3 7194 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [2,0,0,0,0,0|2,0,0]=4 7195 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [2,0,0,0,0,0|1,0,0]=3 7196 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [2,0,0,0,0,0|1,1,0]=4 7197 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [2,0,0,0,0,0|2,0,0]=4 7198 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [2,0,0,0,0,0|2,0,0]=4 7199 B11R1.1 CCCOc1ccc(nc1)Br 34a_100000685995_100000210303 [2,0,0,0,0,0|1,1,0]=4 7200 B11R1.1 CCCOc1ccc(nc1)Br 7a_100000685995_100000210303 [2,0,0,0,0,0|1,1,0]=4 7201 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [2,0,0,0,0,0|2,0,0]=4 7202 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [2,0,0,0,0,0|2,0,0]=4 7203 B11R1.1 CCCOc1ccc(nc1)Cl 34a_100000744096_100000210303 [2,0,0,0,0,0|1,0,0]=3 7204 B11R1.1 CCCOc1ccc(nc1)Cl 7a_100000744096_100000210303 [2,0,0,0,0,0|1,0,0]=3 7205 B11R1.1 CCCOc1ccc(nc1)F 34a_100000688820_100000210303 [2,0,0,0,0,0|1,1,0]=4 7206 B11R1.1 CCCOc1ccc(nc1)F 7a_100000688820_100000210303 [2,0,0,0,0,0|1,1,0]=4 7207 B11R1.1 CCCOc1ccc(nc1)I 34a_100000687607_100000210303 [2,0,0,0,0,0|1,1,0]=4 7208 B11R1.1 CCCOc1ccc(nc1)I 7a_100000687607_100000210303 [2,0,0,0,0,0|1,1,0]=4 7209 B11R1.1 CCCOc1ccc(nc1)N 34a_100015188713_100000210303 [2,0,0,0,0,0|2,0,0]=4 7210 B11R1.1 CCCOc1ccc(nc1)N 7a_100015188713_100000210303 [2,0,0,0,0,0|2,0,0]=4 7211 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [2,0,0,0,0,0|2,0,0]=4 7212 B11R1.1 CCCOc1cnc(cn1)Cl 34a_100015839800_100000210303 [2,0,0,0,0,0|2,0,0]=4 7213 B11R1.1 CCCOc1cnc(nc1)Cl 34a_100000092845_100000210303 [2,0,0,0,0,0|2,0,0]=4 7214 B11R1.1 CCCOc1cnc(nc1)Cl 7a_100000092845_100000210303 [2,0,0,0,0,0|2,0,0]=4 7215 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [2,0,0,0,0,0|0,2,0]=4 7216 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [2,0,0,0,0,0|0,2,0]=4 7217 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [2,0,0,0,0,0|1,1,0]=4 7218 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [2,0,0,0,0,0|1,1,0]=4 7219 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [2,0,0,0,0,0|0,1,0]=3 7220 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [2,0,0,0,0,0|0,1,0]=3 7221 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [2,0,0,0,0,0|0,2,0]=4 7222 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [2,0,0,0,0,0|0,2,0]=4 7223 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [2,0,0,0,0,0|1,1,0]=4 7224 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [2,0,0,0,0,0|1,1,0]=4 7225 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [2,0,0,0,0,0|1,1,0]=4 7226 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [2,0,0,0,0,0|1,1,0]=4 7227 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [2,0,0,0,0,0|1,1,0]=4 7228 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [2,0,0,0,0,0|1,1,0]=4 7229 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000034144_100000210303 [2,0,0,0,0,0|1,1,0]=4 7230 B11R1.1 CCCSc1ccc(nc1)Cl 62a_100000210303_100000034144 [2,0,0,0,0,0|1,1,0]=4 7231 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [2,0,0,0,0,0|2,0,0]=4 7232 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [2,0,0,0,0,0|2,0,0]=4 7233 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [2,0,0,0,0,0|2,0,0]=4 7234 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [2,0,0,0,0,0|2,0,0]=4 7235 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [2,0,0,0,0,0|2,0,0]=4 7236 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [2,0,0,0,0,0|2,0,0]=4 7237 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [2,0,0,0,0,0|2,0,0]=4 7238 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [2,0,0,0,0,0|2,0,0]=4 7239 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [2,0,0,0,0,0|2,0,0]=4 7240 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [2,0,0,0,0,0|2,0,0]=4 7241 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [2,0,0,0,0,0|2,0,0]=4 7242 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [2,0,0,0,0,0|2,0,0]=4 7243 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [2,0,0,0,0,0|2,0,0]=4 7244 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [2,0,0,0,0,0|2,0,0]=4 7245 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [2,0,0,0,0,0|2,0,0]=4 7246 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [2,0,0,0,0,0|2,0,0]=4 7247 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [2,0,0,0,0,0|2,0,0]=4 7248 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [2,0,0,0,0,0|2,0,0]=4 7249 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [2,0,0,0,0,0|2,0,0]=4 7250 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [2,0,0,0,0,0|2,0,0]=4 7251 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [2,0,0,0,0,0|1,1,0]=4 7252 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [2,0,0,0,0,0|1,1,0]=4 7253 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [2,0,0,0,0,0|2,0,0]=4 7254 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [2,0,0,0,0,0|2,0,0]=4 7255 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [2,0,0,0,0,0|2,0,0]=4 7256 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [2,0,0,0,0,0|2,0,0]=4 7257 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [2,0,0,0,0,0|1,1,0]=4 7258 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [2,0,0,0,0,0|2,0,0]=4 7259 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [2,0,0,0,0,0|1,0,0]=3 7260 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [2,0,0,0,0,0|1,1,0]=4 7261 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [2,0,0,0,0,0|1,1,0]=4 7262 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [2,0,0,0,0,0|2,0,0]=4 7263 B11R1.1 CSCOc1ccc(cn1)Cl 34a_100011215309_100011218213 [2,0,0,0,0,0|2,0,0]=4 7264 B11R1.1 CSCOc1ccc(nc1)Cl 34a_100000744096_100011218213 [2,0,0,0,0,0|2,0,0]=4 7265 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [2,0,0,0,0,0|1,1,0]=4 7266 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [2,0,0,0,0,0|1,1,0]=4 7267 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [2,0,0,0,0,0|2,0,0]=4 7268 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [2,0,0,0,0,0|2,0,0]=4 7269 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [2,0,0,0,0,0|2,0,0]=4 7270 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [2,0,0,0,0,0|1,0,0]=3 7271 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [2,0,0,0,0,0|1,0,0]=3 7272 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [2,0,0,0,0,0|1,1,0]=4 7273 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [2,0,0,0,0,0|1,1,0]=4 7274 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [2,0,0,0,0,0|2,0,0]=4 7275 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [2,0,0,0,0,0|2,0,0]=4 7276 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [2,0,0,0,0,0|2,0,0]=4 7277 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [2,0,0,0,0,0|2,0,0]=4 7278 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [2,0,0,0,0,0|2,0,0]=4 7279 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [2,0,0,0,0,0|1,1,0]=4 7280 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [2,0,0,0,0,0|1,1,0]=4 7281 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [2,0,0,0,0,0|1,0,0]=3 7282 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [2,0,0,0,0,0|1,0,0]=3 7283 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [2,0,0,0,0,0|1,1,0]=4 7284 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [2,0,0,0,0,0|1,1,0]=4 7285 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [2,0,0,0,0,0|1,1,0]=4 7286 B11R1.1 FCCOc1ccc(cn1)Cl 34a_100011215309_100011217306 [2,0,0,0,0,0|2,0,0]=4 7287 B11R1.1 FCCOc1ccc(nc1)Cl 34a_100000744096_100011217306 [2,0,0,0,0,0|2,0,0]=4 7288 B11R1.1 FCCOc1ccc(nc1)Cl 7a_100000744096_100011217306 [2,0,0,0,0,0|2,0,0]=4 7289 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [2,0,0,0,0,0|1,1,0]=4 7290 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [2,0,0,0,0,0|1,1,0]=4 7291 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [2,0,0,0,0,0|2,0,0]=4 7292 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [2,0,0,0,0,0|2,0,0]=4 7293 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [2,0,0,0,0,0|2,0,0]=4 7294 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [2,0,0,0,0,0|2,0,0]=4 7295 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [2,0,0,0,0,0|2,0,0]=4 7296 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [2,0,0,0,0,0|1,0,1]=4 7297 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [2,0,0,0,0,0|2,0,0]=4 7298 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [2,0,0,0,0,0|2,0,0]=4 7299 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [2,0,0,0,0,0|2,0,0]=4 7300 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [2,0,0,0,0,0|1,0,0]=3 7301 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [2,0,0,0,0,0|1,1,0]=4 7302 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [2,0,0,0,0,0|1,1,0]=4 7303 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [2,0,0,0,0,0|2,0,0]=4 7304 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [2,0,0,0,0,0|2,0,0]=4 7305 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [2,0,0,0,0,0|2,0,0]=4 7306 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [2,0,0,0,0,0|0,0,2]=4 7307 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [2,0,0,0,0,0|0,0,2]=4 7308 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [2,0,0,0,0,0|2,0,0]=4 7309 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [2,0,0,0,0,0|1,0,0]=3 7310 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [2,0,0,0,0,0|1,1,0]=4 7311 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [2,0,0,0,0,0|1,1,0]=4 7312 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [2,0,0,0,0,0|1,0,0]=3 7313 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [2,0,0,0,0,0|1,0,0]=3 7314 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [2,0,0,0,0,0|1,1,0]=4 7315 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [2,0,0,0,0,0|1,1,0]=4 7316 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [2,0,0,0,0,0|2,0,0]=4 7317 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [2,0,0,0,0,0|0,1,0]=3 7318 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [2,0,0,0,0,0|0,1,0]=3 7319 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [2,0,0,0,0,0|0,0,0]=2 7320 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [2,0,0,0,0,0|0,0,0]=2 7321 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [2,0,0,0,0,0|0,1,0]=3 7322 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [2,0,0,0,0,0|0,1,0]=3 7323 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [2,0,0,0,0,0|0,1,0]=3 7324 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [2,0,0,0,0,0|1,0,0]=3 7325 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [2,0,0,0,0,0|1,0,0]=3 7326 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [2,0,0,0,0,0|1,1,0]=4 7327 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [2,0,0,0,0,0|1,1,0]=4 7328 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [2,0,0,0,0,0|1,1,0]=4 7329 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [2,0,0,0,0,0|1,0,0]=3 7330 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [2,0,0,0,0,0|1,0,0]=3 7331 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [2,0,0,0,0,0|1,1,0]=4 7332 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [2,0,0,0,0,0|1,1,0]=4 7333 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [2,0,0,0,0,0|1,1,0]=4 7334 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [2,0,0,0,0,0|1,1,0]=4 7335 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [2,0,0,0,0,0|2,0,0]=4 7336 B11R1.1 OCCOc1cnc(cn1)Cl 34a_100015839800_100000211926 [2,0,0,0,0,0|2,0,0]=4 7337 B11R1.1 OCCOc1cnc(nc1)Cl 34a_100000092845_100000211926 [2,0,0,0,0,0|2,0,0]=4 7338 B11R1.1 OCCOc1cnc(nc1)Cl 7a_100000092845_100000211926 [2,0,0,0,0,0|2,0,0]=4 7339 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [2,0,0,0,0,0|0,2,0]=4 7340 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [2,0,0,0,0,0|0,2,0]=4 7341 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [2,0,0,0,0,0|0,1,0]=3 7342 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [2,0,0,0,0,0|0,1,0]=3 7343 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [2,0,0,0,0,0|0,2,0]=4 7344 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [2,0,0,0,0,0|0,2,0]=4 7345 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [2,0,0,0,0,0|1,1,0]=4 7346 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [2,0,0,0,0,0|1,1,0]=4 7347 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [2,0,0,0,0,0|1,1,0]=4 7348 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000034144_100000211926 [2,0,0,0,0,0|1,1,0]=4 7349 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000211926_100000034144 [2,0,0,0,0,0|1,1,0]=4 7350 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [2,0,0,0,0,0|2,0,0]=4 7351 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [2,0,0,0,0,0|2,0,0]=4 7352 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [2,0,0,0,0,0|2,0,0]=4 7353 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [2,0,0,0,0,0|2,0,0]=4 7354 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [2,0,0,0,0,0|2,0,0]=4 7355 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [2,0,0,0,0,0|2,0,0]=4 7356 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [2,0,0,0,0,0|2,0,0]=4 7357 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [2,0,0,0,0,0|1,0,1]=4 7358 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [2,0,0,0,0,0|1,0,1]=4 7359 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [2,0,0,0,0,0|1,0,1]=4 7360 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [2,0,0,0,0,0|1,0,1]=4 7361 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [2,0,0,0,0,0|2,0,0]=4 7362 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [2,0,0,0,0,0|1,0,0]=3 7363 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [2,0,0,0,0,0|1,0,0]=3 7364 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [2,0,0,0,0,0|2,0,0]=4 7365 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [2,0,0,0,0,0|2,0,0]=4 7366 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [2,0,0,0,0,0|2,0,0]=4 7367 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [2,0,0,0,0,0|1,1,0]=4 7368 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [2,0,0,0,0,0|1,1,0]=4 7369 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [2,0,0,0,0,0|2,0,0]=4 7370 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [2,0,0,0,0,0|2,0,0]=4 7371 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [2,0,0,0,0,0|2,0,0]=4 7372 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [2,0,0,0,0,0|2,0,0]=4 7373 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [2,0,0,0,0,0|2,0,0]=4 7374 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [2,0,0,0,0,0|2,0,0]=4 7375 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [2,0,0,0,0,0|2,0,0]=4 7376 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [2,0,0,0,0,0|2,0,0]=4 7377 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [2,0,0,0,0,0|2,0,0]=4 7378 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [2,0,0,0,0,0|2,0,0]=4 7379 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [2,0,0,0,0,0|2,0,0]=4 7380 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [2,0,0,0,0,0|2,0,0]=4 7381 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [2,0,0,0,0,0|2,0,0]=4 7382 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [2,0,0,0,0,0|2,0,0]=4 7383 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [2,0,0,0,0,0|2,0,0]=4 7384 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [2,0,0,0,0,0|2,0,0]=4 7385 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [2,0,0,0,0,0|1,0,0]=3 7386 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [2,0,0,0,0,0|1,0,0]=3 7387 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [2,0,0,0,0,0|2,0,0]=4 7388 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [2,0,0,0,0,0|2,0,0]=4 7389 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [2,0,0,0,0,0|2,0,0]=4 7390 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [2,0,0,0,0,0|1,1,0]=4 7391 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [2,0,0,0,0,0|1,1,0]=4 7392 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [2,0,0,0,0,0|1,0,1]=4 7393 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [2,0,0,0,0,0|1,0,0]=3 7394 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [2,0,0,0,0,0|0,0,0]=2 7395 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [2,0,0,0,0,0|0,0,0]=2 7396 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [2,0,0,0,0,0|1,0,0]=3 7397 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [2,0,0,0,0,0|1,0,0]=3 7398 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [2,0,0,0,0,0|1,0,0]=3 7399 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [2,0,0,0,0,0|2,0,0]=4 7400 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [2,0,0,0,0,0|2,0,0]=4 7401 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [2,0,0,0,0,0|0,1,0]=3 7402 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [2,0,0,0,0,0|0,1,0]=3 7403 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [2,0,0,0,0,0|1,1,0]=4 7404 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [2,0,0,0,0,0|1,1,0]=4 7405 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [2,0,0,0,0,0|1,1,0]=4 7406 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [2,0,0,0,0,0|1,1,0]=4 7407 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [2,0,0,0,0,0|1,1,0]=4 7408 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [2,0,0,0,0,0|1,1,0]=4 7409 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [2,0,0,0,0,0|2,0,0]=4 7410 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [2,0,0,0,0,0|2,0,0]=4 7411 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [2,0,0,0,0,0|2,0,0]=4 7412 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [2,0,0,0,0,0|2,0,0]=4 7413 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [2,0,0,0,0,0|2,0,0]=4 7414 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [2,0,0,0,0,0|2,0,0]=4 7415 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [2,0,0,0,0,0|2,0,0]=4 7416 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [2,0,0,0,0,0|2,0,0]=4 7417 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [2,0,0,0,0,0|2,0,0]=4 7418 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [2,0,0,0,0,0|2,0,0]=4 7419 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [2,0,0,0,0,0|2,0,0]=4 7420 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [2,0,0,0,0,0|2,0,0]=4 7421 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [2,0,0,0,0,0|2,0,0]=4 7422 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [2,0,0,0,0,0|2,0,0]=4 7423 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [2,0,0,0,0,0|2,0,0]=4 7424 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [2,0,0,0,0,0|2,0,0]=4 7425 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [2,0,0,0,0,0|1,0,1]=4 7426 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [2,0,0,0,0,0|1,0,1]=4 7427 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [2,0,0,0,0,0|0,0,2]=4 7428 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [2,0,0,0,0,0|2,0,0]=4 7429 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [2,0,0,0,0,0|1,0,0]=3 7430 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [2,0,0,0,0,0|1,0,0]=3 7431 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [2,0,0,0,0,0|2,0,0]=4 7432 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [2,0,0,0,0,0|2,0,0]=4 7433 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [2,0,0,0,0,0|2,0,0]=4 7434 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [2,0,0,0,0,0|1,1,0]=4 7435 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [2,0,0,0,0,0|1,1,0]=4 7436 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [2,0,0,0,0,0|1,0,1]=4 7437 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [2,0,0,0,0,0|1,0,0]=3 7438 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [2,0,0,0,0,0|0,0,0]=2 7439 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [2,0,0,0,0,0|0,0,0]=2 7440 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [2,0,0,0,0,0|1,0,0]=3 7441 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [2,0,0,0,0,0|1,0,0]=3 7442 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [2,0,0,0,0,0|1,0,0]=3 7443 B11R1.91 CC(O)COc1ccnnc1 34a_100015204005_100011218427 [2,0,0,0,0,0|2,0,0]=4 7444 B11R1.91 CC(O)COc1cncnc1 7a_100000754086_100011218427 [2,0,0,0,0,0|2,0,0]=4 7445 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [2,0,0,0,0,0|0,1,0]=3 7446 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [2,0,0,0,0,0|0,1,0]=3 7447 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [2,0,0,0,0,0|1,1,0]=4 7448 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [2,0,0,0,0,0|1,1,0]=4 7449 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [2,0,0,0,0,0|1,1,0]=4 7450 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [2,0,0,0,0,0|1,1,0]=4 7451 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [2,0,0,0,0,0|1,1,0]=4 7452 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [2,0,0,0,0,0|1,1,0]=4 7453 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [2,0,0,0,0,0|1,0,0]=3 7454 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [2,0,0,0,0,0|0,0,0]=2 7455 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [2,0,0,0,0,0|0,0,0]=2 7456 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [2,0,0,0,0,0|1,0,0]=3 7457 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [2,0,0,0,0,0|1,0,0]=3 7458 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [2,0,0,0,0,0|1,0,0]=3 7459 B11R1.91 C[C@@H](O)COc1ccnnc1 34a_100015204005_100009817552 [2,0,0,0,0,0|2,0,0]=4 7460 B11R1.91 C[C@@H](O)COc1cncnc1 7a_100000754086_100009817552 [2,0,0,0,0,0|2,0,0]=4 7461 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [2,0,0,0,0,0|0,1,0]=3 7462 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [2,0,0,0,0,0|0,1,0]=3 7463 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [2,0,0,0,0,0|1,1,0]=4 7464 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [2,0,0,0,0,0|1,1,0]=4 7465 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [2,0,0,0,0,0|1,1,0]=4 7466 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [2,0,0,0,0,0|1,1,0]=4 7467 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [2,0,0,0,0,0|1,1,0]=4 7468 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [2,0,0,0,0,0|1,1,0]=4 7469 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [2,0,0,0,0,0|2,0,0]=4 7470 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [2,0,0,0,0,0|2,0,0]=4 7471 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [2,0,0,0,0,0|0,0,2]=4 7472 B13R1.9 BrCCCOCc1ccc(cc1)Br 34a_100011217188_100000189115 [1,1,0,0,0,0|1,1,0]=4 7473 B13R1.9 BrCCCOCc1ccc(cc1)I 34a_100011217188_100000189116 [1,1,0,0,0,0|1,1,0]=4 7474 B13R1.9 C#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000731252 [1,1,0,0,0,0|2,0,0]=4 7475 B13R1.9 C#CCCCNc1ccc(cc1)Cl 34a_100000210052_100000695029 [1,1,0,0,0,0|2,0,0]=4 7476 B13R1.9 C#CCCCOc1ccc(cc1)Br 34a_100000185759_100000695029 [1,1,0,0,0,0|1,1,0]=4 7477 B13R1.9 C#CCCCOc1ccc(cc1)Br 7a_100000185759_100011215417 [1,1,0,0,0,0|1,1,0]=4 7478 B13R1.9 C#CCCCOc1ccc(cc1)C 34a_100000210336_100000695029 [1,1,0,0,0,0|2,0,0]=4 7479 B13R1.9 C#CCCCOc1ccc(cc1)C 7a_100000210336_100011215417 [1,1,0,0,0,0|2,0,0]=4 7480 B13R1.9 C#CCCCOc1ccc(cc1)Cl 34a_100000210216_100000695029 [1,1,0,0,0,0|1,0,0]=3 7481 B13R1.9 C#CCCCOc1ccc(cc1)Cl 7a_100000210216_100011215417 [1,1,0,0,0,0|1,0,0]=3 7482 B13R1.9 C#CCCCOc1ccc(cc1)F 34a_100000210339_100000695029 [1,1,0,0,0,0|1,1,0]=4 7483 B13R1.9 C#CCCCOc1ccc(cc1)I 34a_100000212066_100000695029 [1,1,0,0,0,0|1,1,0]=4 7484 B13R1.9 C#CCCCOc1ccc(cc1)I 7a_100000212066_100011215417 [1,1,0,0,0,0|1,1,0]=4 7485 B13R1.9 C#CCCCOc1ccc(cc1)N 34a_100000185829_100000695029 [1,1,0,0,0,0|2,0,0]=4 7486 B13R1.9 C#CCCCOc1ccc(cn1)Cl 34a_100011215309_100000695029 [1,1,0,0,0,0|2,0,0]=4 7487 B13R1.9 C#CCCCOc1ccc(nc1)Cl 34a_100000744096_100000695029 [1,1,0,0,0,0|2,0,0]=4 7488 B13R1.9 C#CCCCOc1ccc(nc1)Cl 7a_100000744096_100011215417 [1,1,0,0,0,0|2,0,0]=4 7489 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100000755918_100011215417 [1,1,0,0,0,0|1,1,0]=4 7490 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100011215417_100000755918 [1,1,0,0,0,0|1,1,0]=4 7491 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100000211118_100000688953 [1,1,0,0,0,0|1,0,1]=4 7492 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100011215631_100000694040 [1,1,0,0,0,0|1,0,1]=4 7493 B13R1.9 C#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000688953 [1,1,0,0,0,0|1,0,1]=4 7494 B13R1.9 C=CCCCNc1ccc(cc1)Cl 2230a_100000210052_100011713584 [1,1,0,0,0,0|2,0,0]=4 7495 B13R1.9 C=CCCCNc1ccc(cc1)Cl 34a_100000210052_100000757094 [1,1,0,0,0,0|2,0,0]=4 7496 B13R1.9 C=CCCCOc1ccc(cc1)Br 34a_100000185759_100000757094 [1,1,0,0,0,0|1,1,0]=4 7497 B13R1.9 C=CCCCOc1ccc(cc1)Br 7a_100000185759_100000757094 [1,1,0,0,0,0|1,1,0]=4 7498 B13R1.9 C=CCCCOc1ccc(cc1)C 34a_100000210336_100000757094 [1,1,0,0,0,0|2,0,0]=4 7499 B13R1.9 C=CCCCOc1ccc(cc1)C 7a_100000210336_100000757094 [1,1,0,0,0,0|2,0,0]=4 7500 B13R1.9 C=CCCCOc1ccc(cc1)Cl 34a_100000210216_100000757094 [1,1,0,0,0,0|1,0,0]=3 7501 B13R1.9 C=CCCCOc1ccc(cc1)Cl 7a_100000210216_100000757094 [1,1,0,0,0,0|1,0,0]=3 7502 B13R1.9 C=CCCCOc1ccc(cc1)F 34a_100000210339_100000757094 [1,1,0,0,0,0|1,1,0]=4 7503 B13R1.9 C=CCCCOc1ccc(cc1)I 34a_100000212066_100000757094 [1,1,0,0,0,0|1,1,0]=4 7504 B13R1.9 C=CCCCOc1ccc(cc1)I 7a_100000212066_100000757094 [1,1,0,0,0,0|1,1,0]=4 7505 B13R1.9 C=CCCCOc1ccc(cc1)N 34a_100000185829_100000757094 [1,1,0,0,0,0|2,0,0]=4 7506 B13R1.9 C=CCCCOc1ccc(cn1)Cl 34a_100011215309_100000757094 [1,1,0,0,0,0|2,0,0]=4 7507 B13R1.9 C=CCCCOc1ccc(nc1)Cl 34a_100000744096_100000757094 [1,1,0,0,0,0|2,0,0]=4 7508 B13R1.9 C=CCCCOc1ccc(nc1)Cl 7a_100000744096_100000757094 [1,1,0,0,0,0|2,0,0]=4 7509 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100000755918_100000757094 [1,1,0,0,0,0|1,1,0]=4 7510 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100011713584_100000755918 [1,1,0,0,0,0|1,1,0]=4 7511 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100000211118_100000754431 [1,1,0,0,0,0|1,0,1]=4 7512 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100011205117_100000694040 [1,1,0,0,0,0|1,0,1]=4 7513 B13R1.9 C=CCCOCc1ccc(cc1)Cl 7a_100000211118_100000754431 [1,1,0,0,0,0|1,0,1]=4 7514 B13R1.9 C=COCCOc1ccc(cc1)Cl 34a_100000210216_100000039644 [1,1,0,0,0,0|1,0,1]=4 7515 B13R1.9 C=COCCOc1ccc(cc1)Cl 7a_100000210216_100000039644 [1,1,0,0,0,0|1,0,1]=4 7516 B13R1.9 CC/C=C\COc1ccc(cc1)Cl 34a_100000210216_100103147603 [1,1,0,0,0,0|1,0,1]=4 7517 B13R1.9 CC/C=C\COc1ccc(cc1)Cl 7a_100000210216_100103147603 [1,1,0,0,0,0|1,0,1]=4 7518 B13R1.9 CCC#CCOc1ccc(cc1)Cl 34a_100000210216_100009813939 [1,1,0,0,0,0|1,0,1]=4 7519 B13R1.9 CCC#CCOc1ccc(cc1)Cl 7a_100000210216_100009813939 [1,1,0,0,0,0|1,0,1]=4 7520 B13R1.9 CCCCC=Cc1ccc(cc1)Cl 271570a_100016275911_100000755918 [1,1,0,0,0,0|2,0,0]=4 7521 B13R1.9 CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210326 [1,1,0,0,0,0|2,0,0]=4 7522 B13R1.9 CCCCCNc1ccc(cc1)Cl 34a_100000210052_100000718602 [1,1,0,0,0,0|2,0,0]=4 7523 B13R1.9 CCCCCOc1ccc(cc1)Br 34a_100000185759_100000718602 [1,1,0,0,0,0|1,1,0]=4 7524 B13R1.9 CCCCCOc1ccc(cc1)Br 7a_100000185759_100000210326 [1,1,0,0,0,0|1,1,0]=4 7525 B13R1.9 CCCCCOc1ccc(cc1)C 34a_100000210336_100000718602 [1,1,0,0,0,0|2,0,0]=4 7526 B13R1.9 CCCCCOc1ccc(cc1)C 7a_100000210336_100000210326 [1,1,0,0,0,0|2,0,0]=4 7527 B13R1.9 CCCCCOc1ccc(cc1)Cl 34a_100000210216_100000718602 [1,1,0,0,0,0|1,0,0]=3 7528 B13R1.9 CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210326 [1,1,0,0,0,0|1,0,0]=3 7529 B13R1.9 CCCCCOc1ccc(cc1)F 34a_100000210339_100000718602 [1,1,0,0,0,0|1,1,0]=4 7530 B13R1.9 CCCCCOc1ccc(cc1)I 34a_100000212066_100000718602 [1,1,0,0,0,0|1,1,0]=4 7531 B13R1.9 CCCCCOc1ccc(cc1)I 7a_100000212066_100000210326 [1,1,0,0,0,0|1,1,0]=4 7532 B13R1.9 CCCCCOc1ccc(cc1)N 34a_100000185829_100000718602 [1,1,0,0,0,0|2,0,0]=4 7533 B13R1.9 CCCCCOc1ccc(cc1)O 271570a_203496583355_200011214818 [1,1,0,0,0,0|2,0,0]=4 7534 B13R1.9 CCCCCOc1ccc(cn1)Cl 34a_100011215309_100000718602 [1,1,0,0,0,0|2,0,0]=4 7535 B13R1.9 CCCCCOc1ccc(nc1)Cl 34a_100000744096_100000718602 [1,1,0,0,0,0|2,0,0]=4 7536 B13R1.9 CCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210326 [1,1,0,0,0,0|2,0,0]=4 7537 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000210326_100000755918 [1,1,0,0,0,0|1,1,0]=4 7538 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210326 [1,1,0,0,0,0|1,1,0]=4 7539 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [1,1,0,0,0,0|2,0,0]=4 7540 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [1,1,0,0,0,0|2,0,0]=4 7541 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [1,1,0,0,0,0|2,0,0]=4 7542 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [1,1,0,0,0,0|2,0,0]=4 7543 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [1,1,0,0,0,0|2,0,0]=4 7544 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [1,1,0,0,0,0|2,0,0]=4 7545 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [1,1,0,0,0,0|1,1,0]=4 7546 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [1,1,0,0,0,0|1,1,0]=4 7547 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [1,1,0,0,0,0|1,1,0]=4 7548 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [1,1,0,0,0,0|2,0,0]=4 7549 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [1,1,0,0,0,0|2,0,0]=4 7550 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [1,1,0,0,0,0|2,0,0]=4 7551 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [1,1,0,0,0,0|2,0,0]=4 7552 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [1,1,0,0,0,0|1,0,0]=3 7553 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [1,1,0,0,0,0|1,0,0]=3 7554 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [1,1,0,0,0,0|1,0,0]=3 7555 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [1,1,0,0,0,0|1,0,0]=3 7556 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [1,1,0,0,0,0|1,1,0]=4 7557 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [1,1,0,0,0,0|1,1,0]=4 7558 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [1,1,0,0,0,0|1,1,0]=4 7559 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [1,1,0,0,0,0|1,1,0]=4 7560 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [1,1,0,0,0,0|1,1,0]=4 7561 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [1,1,0,0,0,0|1,1,0]=4 7562 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [1,1,0,0,0,0|1,1,0]=4 7563 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [1,1,0,0,0,0|1,1,0]=4 7564 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [1,1,0,0,0,0|2,0,0]=4 7565 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000210227_100012066911 [1,1,0,0,0,0|2,0,0]=4 7566 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000703999_100000210210 [1,1,0,0,0,0|2,0,0]=4 7567 B13R1.9 CCCCOCc1ccc(cn1)Cl 7a_100000210227_100012066911 [1,1,0,0,0,0|2,0,0]=4 7568 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000210227_100000735431 [1,1,0,0,0,0|2,0,0]=4 7569 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210210 [1,1,0,0,0,0|2,0,0]=4 7570 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000210227_100000735431 [1,1,0,0,0,0|2,0,0]=4 7571 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210211 [1,1,0,0,0,0|2,0,0]=4 7572 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [1,1,0,0,0,0|1,1,0]=4 7573 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [1,1,0,0,0,0|1,1,0]=4 7574 B13R1.9 CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210303 [1,1,0,0,0,0|2,0,0]=4 7575 B13R1.9 CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210303 [1,1,0,0,0,0|2,0,0]=4 7576 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100000210258_100011713675 [1,1,0,0,0,0|2,0,0]=4 7577 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210303 [1,1,0,0,0,0|2,0,0]=4 7578 B13R1.9 CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210303 [1,1,0,0,0,0|2,0,0]=4 7579 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100000210303_100011713675 [1,1,0,0,0,0|2,0,0]=4 7580 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210303 [1,1,0,0,0,0|2,0,0]=4 7581 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210202 [1,1,0,0,0,0|2,0,0]=4 7582 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100015525214_100000759440 [1,1,0,0,0,0|2,0,0]=4 7583 B13R1.9 CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210202 [1,1,0,0,0,0|2,0,0]=4 7584 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100000746992_100000210202 [1,1,0,0,0,0|1,1,0]=4 7585 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100015525214_100000183278 [1,1,0,0,0,0|1,1,0]=4 7586 B13R1.9 CCNCCOc1ccc(cc1)Br 34a_100000746992_100000210202 [1,1,0,0,0,0|1,1,0]=4 7587 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100015525214_100000183172 [1,1,0,0,0,0|2,0,0]=4 7588 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100020666663_100000210202 [1,1,0,0,0,0|2,0,0]=4 7589 B13R1.9 CCNCCOc1ccc(cc1)C 34a_100020666663_100000210202 [1,1,0,0,0,0|2,0,0]=4 7590 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000210202 [1,1,0,0,0,0|1,0,0]=3 7591 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100015525214_100000184122 [1,1,0,0,0,0|1,0,0]=3 7592 B13R1.9 CCNCCOc1ccc(cc1)Cl 34a_100000697975_100000210202 [1,1,0,0,0,0|1,0,0]=3 7593 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100000737420_100000210202 [1,1,0,0,0,0|1,1,0]=4 7594 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100015525214_100000184936 [1,1,0,0,0,0|1,1,0]=4 7595 B13R1.9 CCNCCOc1ccc(cc1)F 34a_100000737420_100000210202 [1,1,0,0,0,0|1,1,0]=4 7596 B13R1.9 CCNCCOc1ccc(cc1)O 271570a_203496583355_100000762749 [1,1,0,0,0,0|2,0,0]=4 7597 B13R1.9 CCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000210202 [1,1,0,0,0,0|1,1,0]=4 7598 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210202 [1,1,0,0,0,0|2,0,0]=4 7599 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100121572206_100000759440 [1,1,0,0,0,0|2,0,0]=4 7600 B13R1.9 CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210202 [1,1,0,0,0,0|2,0,0]=4 7601 B13R1.9 CCOCCNc1ccc(cc1)Cl 2230a_100000210052_100011215890 [1,1,0,0,0,0|2,0,0]=4 7602 B13R1.9 CCOCCNc1ccc(cc1)Cl 34a_100000210052_100000210147 [1,1,0,0,0,0|2,0,0]=4 7603 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000185759_100000210147 [1,1,0,0,0,0|1,1,0]=4 7604 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000686261_100000210202 [1,1,0,0,0,0|1,1,0]=4 7605 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100121572206_100000183278 [1,1,0,0,0,0|1,1,0]=4 7606 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000185759_100011215890 [1,1,0,0,0,0|1,1,0]=4 7607 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000686261_100000210202 [1,1,0,0,0,0|1,1,0]=4 7608 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100000210336_100000210147 [1,1,0,0,0,0|2,0,0]=4 7609 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100011219107_100000210202 [1,1,0,0,0,0|2,0,0]=4 7610 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100121572206_100000183172 [1,1,0,0,0,0|2,0,0]=4 7611 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100000210336_100011215890 [1,1,0,0,0,0|2,0,0]=4 7612 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100011219107_100000210202 [1,1,0,0,0,0|2,0,0]=4 7613 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000210216_100000210147 [1,1,0,0,0,0|1,0,0]=3 7614 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000237962_100000210202 [1,1,0,0,0,0|1,0,0]=3 7615 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100121572206_100000184122 [1,1,0,0,0,0|1,0,0]=3 7616 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000210216_100011215890 [1,1,0,0,0,0|1,0,0]=3 7617 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000237962_100000210202 [1,1,0,0,0,0|1,0,0]=3 7618 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100000210339_100000210147 [1,1,0,0,0,0|1,1,0]=4 7619 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100121572206_100000184936 [1,1,0,0,0,0|1,1,0]=4 7620 B13R1.9 CCOCCOc1ccc(cc1)I 34a_100000212066_100000210147 [1,1,0,0,0,0|1,1,0]=4 7621 B13R1.9 CCOCCOc1ccc(cc1)I 7a_100000212066_100011215890 [1,1,0,0,0,0|1,1,0]=4 7622 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000185829_100000210147 [1,1,0,0,0,0|2,0,0]=4 7623 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000754363_100000210202 [1,1,0,0,0,0|2,0,0]=4 7624 B13R1.9 CCOCCOc1ccc(cc1)O 271570a_203496583355_200000169944 [1,1,0,0,0,0|2,0,0]=4 7625 B13R1.9 CCOCCOc1ccc(cn1)Cl 34a_100011215309_100000210147 [1,1,0,0,0,0|2,0,0]=4 7626 B13R1.9 CCOCCOc1ccc(nc1)Cl 34a_100000744096_100000210147 [1,1,0,0,0,0|2,0,0]=4 7627 B13R1.9 CCOCCOc1ccc(nc1)Cl 7a_100000744096_100011215890 [1,1,0,0,0,0|2,0,0]=4 7628 B13R1.9 CCOCCSc1ccc(cc1)Cl 34a_100000230527_100000210202 [1,1,0,0,0,0|1,1,0]=4 7629 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000210147_100000755918 [1,1,0,0,0,0|1,1,0]=4 7630 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000755918_100011215890 [1,1,0,0,0,0|1,1,0]=4 7631 B13R1.9 CCOCCSc1ccc(cc1)Cl 7a_100000230527_100000210202 [1,1,0,0,0,0|1,1,0]=4 7632 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000210202_100000759440 [1,1,0,0,0,0|2,0,0]=4 7633 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210202 [1,1,0,0,0,0|2,0,0]=4 7634 B13R1.9 CCSCCNc1ccc(cc1)Cl 2230a_100000210052_100000757381 [1,1,0,0,0,0|2,0,0]=4 7635 B13R1.9 CCSCCNc1ccc(cc1)Cl 34a_100000210052_100000757381 [1,1,0,0,0,0|2,0,0]=4 7636 B13R1.9 CCSCCOc1ccc(cc1)Br 34a_100000185759_100000757381 [1,1,0,0,0,0|1,1,0]=4 7637 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000183278_100000210202 [1,1,0,0,0,0|1,1,0]=4 7638 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000210202_100000183278 [1,1,0,0,0,0|1,1,0]=4 7639 B13R1.9 CCSCCOc1ccc(cc1)Br 7a_100000185759_100000757381 [1,1,0,0,0,0|1,1,0]=4 7640 B13R1.9 CCSCCOc1ccc(cc1)C 34a_100000210336_100000757381 [1,1,0,0,0,0|2,0,0]=4 7641 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000183172_100000210202 [1,1,0,0,0,0|2,0,0]=4 7642 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000210202_100000183172 [1,1,0,0,0,0|2,0,0]=4 7643 B13R1.9 CCSCCOc1ccc(cc1)C 7a_100000210336_100000757381 [1,1,0,0,0,0|2,0,0]=4 7644 B13R1.9 CCSCCOc1ccc(cc1)Cl 34a_100000210216_100000757381 [1,1,0,0,0,0|1,0,0]=3 7645 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000184122_100000210202 [1,1,0,0,0,0|1,0,0]=3 7646 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000210202_100000184122 [1,1,0,0,0,0|1,0,0]=3 7647 B13R1.9 CCSCCOc1ccc(cc1)Cl 7a_100000210216_100000757381 [1,1,0,0,0,0|1,0,0]=3 7648 B13R1.9 CCSCCOc1ccc(cc1)F 34a_100000210339_100000757381 [1,1,0,0,0,0|1,1,0]=4 7649 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000184936_100000210202 [1,1,0,0,0,0|1,1,0]=4 7650 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000210202_100000184936 [1,1,0,0,0,0|1,1,0]=4 7651 B13R1.9 CCSCCOc1ccc(cc1)I 34a_100000212066_100000757381 [1,1,0,0,0,0|1,1,0]=4 7652 B13R1.9 CCSCCOc1ccc(cc1)I 7a_100000212066_100000757381 [1,1,0,0,0,0|1,1,0]=4 7653 B13R1.9 CCSCCOc1ccc(cc1)N 34a_100000185829_100000757381 [1,1,0,0,0,0|2,0,0]=4 7654 B13R1.9 CCSCCOc1ccc(cn1)Cl 34a_100011215309_100000757381 [1,1,0,0,0,0|2,0,0]=4 7655 B13R1.9 CCSCCOc1ccc(nc1)Cl 34a_100000744096_100000757381 [1,1,0,0,0,0|2,0,0]=4 7656 B13R1.9 CCSCCOc1ccc(nc1)Cl 7a_100000744096_100000757381 [1,1,0,0,0,0|2,0,0]=4 7657 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000755918_100000757381 [1,1,0,0,0,0|1,1,0]=4 7658 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000757381_100000755918 [1,1,0,0,0,0|1,1,0]=4 7659 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [1,1,0,0,0,0|2,0,0]=4 7660 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [1,1,0,0,0,0|2,0,0]=4 7661 B13R1.9 CNCCCOc1ccc(cc1)Br 2230a_106832991635_100011259224 [1,1,0,0,0,0|1,1,0]=4 7662 B13R1.9 CNCCCOc1ccc(cc1)Br 34a_100102657272_100011259224 [1,1,0,0,0,0|1,1,0]=4 7663 B13R1.9 CNCCCOc1ccc(cc1)Br 7a_106832991635_100011259224 [1,1,0,0,0,0|1,1,0]=4 7664 B13R1.9 CNCCCOc1ccc(cc1)C 34a_100000747266_200000210301 [1,1,0,0,0,0|2,0,0]=4 7665 B13R1.9 CNCCCOc1ccc(cc1)Cl 2230a_200011199081_200000210301 [1,1,0,0,0,0|1,0,0]=3 7666 B13R1.9 CNCCCOc1ccc(cc1)Cl 34a_200011199081_200000210301 [1,1,0,0,0,0|1,0,0]=3 7667 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_100000747263_200000210301 [1,1,0,0,0,0|1,1,0]=4 7668 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_106832991635_100000181347 [1,1,0,0,0,0|1,1,0]=4 7669 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100000747263_200000210301 [1,1,0,0,0,0|1,1,0]=4 7670 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100102657272_100000181347 [1,1,0,0,0,0|1,1,0]=4 7671 B13R1.9 CNCCCOc1ccc(cc1)F 7a_106832991635_100000181347 [1,1,0,0,0,0|1,1,0]=4 7672 B13R1.9 CNCCCOc1ccc(cc1)O 271570a_203496583355_100102699777 [1,1,0,0,0,0|2,0,0]=4 7673 B13R1.9 CNCCCSc1ccc(cc1)Cl 2230a_100000189518_200000210301 [1,1,0,0,0,0|1,1,0]=4 7674 B13R1.9 CNCCOCc1ccc(cc1)Cl 2230a_100000189180_200000210301 [1,1,0,0,0,0|2,0,0]=4 7675 B13R1.9 CNCCOCc1ccc(cc1)Cl 34a_100000189180_200000210301 [1,1,0,0,0,0|2,0,0]=4 7676 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [1,1,0,0,0,0|1,1,0]=4 7677 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [1,1,0,0,0,0|1,1,0]=4 7678 B13R1.9 COCCCNc1ccc(cc1)Br 2230a_100000210018_100000740836 [1,1,0,0,0,0|1,1,0]=4 7679 B13R1.9 COCCCNc1ccc(cc1)Br 34a_100000210018_100000740836 [1,1,0,0,0,0|1,1,0]=4 7680 B13R1.9 COCCCNc1ccc(cc1)C 34a_100000124888_100000740836 [1,1,0,0,0,0|2,0,0]=4 7681 B13R1.9 COCCCNc1ccc(cc1)Cl 2230a_100000210052_100000740836 [1,1,0,0,0,0|1,0,0]=3 7682 B13R1.9 COCCCNc1ccc(cc1)Cl 34a_100000210052_100000740836 [1,1,0,0,0,0|1,0,0]=3 7683 B13R1.9 COCCCNc1ccc(cc1)F 34a_100000185862_100000740836 [1,1,0,0,0,0|1,1,0]=4 7684 B13R1.9 COCCCNc1ccc(cc1)I 34a_100000185761_100000740836 [1,1,0,0,0,0|1,1,0]=4 7685 B13R1.9 COCCCNc1ccc(cc1)O 34a_100000185829_100000740836 [1,1,0,0,0,0|2,0,0]=4 7686 B13R1.9 COCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000740836 [1,1,0,0,0,0|2,0,0]=4 7687 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000185759_100000740836 [1,1,0,0,0,0|0,1,0]=3 7688 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000756186_200000210301 [1,1,0,0,0,0|0,1,0]=3 7689 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100138415774_100011259224 [1,1,0,0,0,0|0,1,0]=3 7690 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000185759_100000740836 [1,1,0,0,0,0|0,1,0]=3 7691 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000756186_200000210301 [1,1,0,0,0,0|0,1,0]=3 7692 B13R1.9 COCCCOc1ccc(cc1)C 34a_100000210336_100000740836 [1,1,0,0,0,0|1,0,0]=3 7693 B13R1.9 COCCCOc1ccc(cc1)C 7a_100000210336_100000740836 [1,1,0,0,0,0|1,0,0]=3 7694 B13R1.9 COCCCOc1ccc(cc1)Cl 34a_100000210216_100000740836 [1,1,0,0,0,0|0,0,0]=2 7695 B13R1.9 COCCCOc1ccc(cc1)Cl 7a_100000210216_100000740836 [1,1,0,0,0,0|0,0,0]=2 7696 B13R1.9 COCCCOc1ccc(cc1)F 34a_100000210339_100000740836 [1,1,0,0,0,0|0,1,0]=3 7697 B13R1.9 COCCCOc1ccc(cc1)F 34a_100138415774_100000181347 [1,1,0,0,0,0|0,1,0]=3 7698 B13R1.9 COCCCOc1ccc(cc1)I 34a_100000212066_100000740836 [1,1,0,0,0,0|0,1,0]=3 7699 B13R1.9 COCCCOc1ccc(cc1)I 7a_100000212066_100000740836 [1,1,0,0,0,0|0,1,0]=3 7700 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000185829_100000740836 [1,1,0,0,0,0|1,0,0]=3 7701 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000730458_200000210301 [1,1,0,0,0,0|1,0,0]=3 7702 B13R1.9 COCCCOc1ccc(cc1)O 271570a_203496583355_200011326559 [1,1,0,0,0,0|1,0,0]=3 7703 B13R1.9 COCCCOc1ccc(cn1)C 34a_100000759353_100000740836 [1,1,0,0,0,0|2,0,0]=4 7704 B13R1.9 COCCCOc1ccc(cn1)Cl 34a_100011215309_100000740836 [1,1,0,0,0,0|1,0,0]=3 7705 B13R1.9 COCCCOc1ccc(cn1)F 34a_100000742473_100000740836 [1,1,0,0,0,0|1,1,0]=4 7706 B13R1.9 COCCCOc1ccc(cn1)N 34a_100000729260_100000740836 [1,1,0,0,0,0|2,0,0]=4 7707 B13R1.9 COCCCOc1ccc(nc1)Br 34a_100000685995_100000740836 [1,1,0,0,0,0|1,1,0]=4 7708 B13R1.9 COCCCOc1ccc(nc1)Br 7a_100000685995_100000740836 [1,1,0,0,0,0|1,1,0]=4 7709 B13R1.9 COCCCOc1ccc(nc1)C 34a_100000745506_100000740836 [1,1,0,0,0,0|2,0,0]=4 7710 B13R1.9 COCCCOc1ccc(nc1)C 7a_100000745506_100000740836 [1,1,0,0,0,0|2,0,0]=4 7711 B13R1.9 COCCCOc1ccc(nc1)Cl 34a_100000744096_100000740836 [1,1,0,0,0,0|1,0,0]=3 7712 B13R1.9 COCCCOc1ccc(nc1)Cl 7a_100000744096_100000740836 [1,1,0,0,0,0|1,0,0]=3 7713 B13R1.9 COCCCOc1ccc(nc1)F 34a_100000688820_100000740836 [1,1,0,0,0,0|1,1,0]=4 7714 B13R1.9 COCCCOc1ccc(nc1)F 7a_100000688820_100000740836 [1,1,0,0,0,0|1,1,0]=4 7715 B13R1.9 COCCCOc1ccc(nc1)I 34a_100000687607_100000740836 [1,1,0,0,0,0|1,1,0]=4 7716 B13R1.9 COCCCOc1ccc(nc1)I 7a_100000687607_100000740836 [1,1,0,0,0,0|1,1,0]=4 7717 B13R1.9 COCCCOc1ccc(nc1)N 34a_100015188713_100000740836 [1,1,0,0,0,0|2,0,0]=4 7718 B13R1.9 COCCCOc1ccc(nc1)N 7a_100015188713_100000740836 [1,1,0,0,0,0|2,0,0]=4 7719 B13R1.9 COCCCOc1cnc(cn1)Cl 34a_100015839800_100000740836 [1,1,0,0,0,0|2,0,0]=4 7720 B13R1.9 COCCCOc1cnc(nc1)Cl 34a_100000092845_100000740836 [1,1,0,0,0,0|2,0,0]=4 7721 B13R1.9 COCCCOc1cnc(nc1)Cl 7a_100000092845_100000740836 [1,1,0,0,0,0|2,0,0]=4 7722 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000709357_100000752885 [1,1,0,0,0,0|0,2,0]=4 7723 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000752885_100000709357 [1,1,0,0,0,0|0,2,0]=4 7724 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000186775_100000709357 [1,1,0,0,0,0|1,1,0]=4 7725 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000709357_100000186775 [1,1,0,0,0,0|1,1,0]=4 7726 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000709357_100000755918 [1,1,0,0,0,0|0,1,0]=3 7727 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000755918_100000709357 [1,1,0,0,0,0|0,1,0]=3 7728 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000211213_100000709357 [1,1,0,0,0,0|0,2,0]=4 7729 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000709357_100000211213 [1,1,0,0,0,0|0,2,0]=4 7730 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000185761_100000709357 [1,1,0,0,0,0|1,1,0]=4 7731 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000709357_100000185761 [1,1,0,0,0,0|1,1,0]=4 7732 B13R1.9 COCCCSc1ccc(cc1)O 62a_100000709357_100000185759 [1,1,0,0,0,0|1,1,0]=4 7733 B13R1.9 COCCCSc1ccc(cn1)Cl 62a_100000709357_100011356976 [1,1,0,0,0,0|1,1,0]=4 7734 B13R1.9 COCCCSc1ccc(cn1)Cl 62a_100011356976_100000709357 [1,1,0,0,0,0|1,1,0]=4 7735 B13R1.9 COCCCSc1ccc(nc1)Cl 62a_100000034144_100000709357 [1,1,0,0,0,0|1,1,0]=4 7736 B13R1.9 COCCCSc1ccc(nc1)Cl 62a_100000709357_100000034144 [1,1,0,0,0,0|1,1,0]=4 7737 B13R1.9 COCCNCc1ccc(cc1)Cl 207a_100000209980_100000189385 [1,1,0,0,0,0|2,0,0]=4 7738 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000174871_100011201679 [1,1,0,0,0,0|2,0,0]=4 7739 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000209980_100000694040 [1,1,0,0,0,0|2,0,0]=4 7740 B13R1.9 COCCNCc1ccc(cc1)Cl 270004a_100000209980_100000189385 [1,1,0,0,0,0|2,0,0]=4 7741 B13R1.9 COCCNCc1ccc(cc1)Cl 34a_100000174871_100011201679 [1,1,0,0,0,0|2,0,0]=4 7742 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000210237_100000694040 [1,1,0,0,0,0|2,0,0]=4 7743 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000211118_100011201679 [1,1,0,0,0,0|2,0,0]=4 7744 B13R1.9 COCCOCc1ccc(cc1)Cl 7a_100000211118_100000233755 [1,1,0,0,0,0|2,0,0]=4 7745 B13R1.9 COCCSCc1ccc(cc1)Cl 34a_200000186141_200000210301 [1,1,0,0,0,0|2,0,0]=4 7746 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000187161_100000233755 [1,1,0,0,0,0|2,0,0]=4 7747 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000233755_100000187161 [1,1,0,0,0,0|2,0,0]=4 7748 B13R1.9 COCCSCc1ccc(cc1)Cl 7a_200000186141_200000210301 [1,1,0,0,0,0|2,0,0]=4 7749 B13R1.9 COCNCCc1ccc(cc1)Cl 2230a_100000185265_100000766300 [1,1,0,0,0,0|2,0,0]=4 7750 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100000766300_100011713675 [1,1,0,0,0,0|2,0,0]=4 7751 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100011713675_100000766300 [1,1,0,0,0,0|2,0,0]=4 7752 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_100011259224_200000210301 [1,1,0,0,0,0|0,2,0]=4 7753 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_200000210301_100011259224 [1,1,0,0,0,0|0,2,0]=4 7754 B13R1.9 CSCCCOc1ccc(cc1)F 62a_100000181347_200000210301 [1,1,0,0,0,0|0,2,0]=4 7755 B13R1.9 CSCCCOc1ccc(cc1)F 62a_200000210301_100000181347 [1,1,0,0,0,0|0,2,0]=4 7756 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000211118_100000212216 [1,1,0,0,0,0|2,0,0]=4 7757 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000230434_100000694040 [1,1,0,0,0,0|2,0,0]=4 7758 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000211118_100000212216 [1,1,0,0,0,0|2,0,0]=4 7759 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000230434_100000187161 [1,1,0,0,0,0|2,0,0]=4 7760 B13R1.9 C[n+]1ccc(cc1)COCCCO 34a_100009831711_100000230001 [1,1,0,0,0,0|2,0,0]=4 7761 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100000705350_100000211926 [1,1,0,0,0,0|2,0,0]=4 7762 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100016997473_100011713686 [1,1,0,0,0,0|2,0,0]=4 7763 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100000705350_100000211926 [1,1,0,0,0,0|2,0,0]=4 7764 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100016990907_100011713686 [1,1,0,0,0,0|2,0,0]=4 7765 B13R1.9 Cc1ccc(cc1)CCOCCO 34a_100000756670_100000211926 [1,1,0,0,0,0|2,0,0]=4 7766 B13R1.9 Cc1ccc(cc1)CCOCCO 7a_100000756670_100000211926 [1,1,0,0,0,0|2,0,0]=4 7767 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100000211926_100011713686 [1,1,0,0,0,0|2,0,0]=4 7768 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100011713686_100000211926 [1,1,0,0,0,0|2,0,0]=4 7769 B13R1.9 Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211033 [1,1,0,0,0,0|2,0,0]=4 7770 B13R1.9 Cc1ccc(cc1)CNCCCO 2230a_100000174908_100000230001 [1,1,0,0,0,0|2,0,0]=4 7771 B13R1.9 Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211033 [1,1,0,0,0,0|2,0,0]=4 7772 B13R1.9 Cc1ccc(cc1)CNCCCO 34a_100000174908_100000230001 [1,1,0,0,0,0|2,0,0]=4 7773 B13R1.9 Cc1ccc(cc1)COCCCBr 34a_100011217188_100000210814 [1,1,0,0,0,0|2,0,0]=4 7774 B13R1.9 Cc1ccc(cc1)COCCCCl 34a_100000230001_100000210814 [1,1,0,0,0,0|2,0,0]=4 7775 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100000759539_100000210814 [1,1,0,0,0,0|2,0,0]=4 7776 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100011215236_100011934791 [1,1,0,0,0,0|2,0,0]=4 7777 B13R1.9 Cc1ccc(cc1)COCCCF 7a_100011215236_100011934791 [1,1,0,0,0,0|2,0,0]=4 7778 B13R1.9 Cc1ccc(cc1)COCCCN 34a_100000182051_100000210814 [1,1,0,0,0,0|2,0,0]=4 7779 B13R1.9 Cc1ccc(cc1)COCCCO 34a_100011215236_100000230001 [1,1,0,0,0,0|1,0,0]=3 7780 B13R1.9 Cc1ccc(cc1)COCCCO 7a_100011215236_100011215043 [1,1,0,0,0,0|1,0,0]=3 7781 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100000210814_100011215043 [1,1,0,0,0,0|1,1,0]=4 7782 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100011215043_100000210814 [1,1,0,0,0,0|1,1,0]=4 7783 B13R1.9 Cc1ccc(cc1)NCCCCO 34a_100000124888_100011216708 [1,1,0,0,0,0|2,0,0]=4 7784 B13R1.9 Cc1ccc(cc1)OCC#CCO 34a_100000210336_200000047223 [1,1,0,0,0,0|1,0,1]=4 7785 B13R1.9 Cc1ccc(cc1)OCC#CCO 7a_100000210336_200000047223 [1,1,0,0,0,0|1,0,1]=4 7786 B13R1.9 Cc1ccc(cc1)OCCCC#N 7a_100000210336_100000687738 [1,1,0,0,0,0|2,0,0]=4 7787 B13R1.9 Cc1ccc(cc1)OCCCC=O 7a_100000210336_200011292268 [1,1,0,0,0,0|1,0,1]=4 7788 B13R1.9 Cc1ccc(cc1)OCCCCF 34a_100000210336_100000729493 [1,1,0,0,0,0|2,0,0]=4 7789 B13R1.9 Cc1ccc(cc1)OCCCCF 7a_100000210336_100000729493 [1,1,0,0,0,0|2,0,0]=4 7790 B13R1.9 Cc1ccc(cc1)OCCCCO 34a_100000210336_100011216708 [1,1,0,0,0,0|1,0,0]=3 7791 B13R1.9 Cc1ccc(cc1)OCCCCO 7a_100000210336_100000210776 [1,1,0,0,0,0|1,0,0]=3 7792 B13R1.9 Cc1ccc(cc1)OCCCN[13CH3] 34a_100000747266_200025704644 [1,1,0,0,0,0|2,0,0]=4 7793 B13R1.9 Cc1ccc(cc1)OCCNCF 34a_100020666663_100015361967 [1,1,0,0,0,0|2,0,0]=4 7794 B13R1.9 Cc1ccc(cc1)OCCOCF 34a_100011219107_100015361967 [1,1,0,0,0,0|2,0,0]=4 7795 B13R1.9 Cc1ccc(cc1)OCCOCF 7a_100011219107_100015361967 [1,1,0,0,0,0|2,0,0]=4 7796 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100000183172_100015361967 [1,1,0,0,0,0|2,0,0]=4 7797 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100015361967_100000183172 [1,1,0,0,0,0|2,0,0]=4 7798 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000186775_100000210776 [1,1,0,0,0,0|1,1,0]=4 7799 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000210776_100000186775 [1,1,0,0,0,0|1,1,0]=4 7800 B13R1.9 Cc1ccc(cn1)COCCCO 34a_100011248133_100000230001 [1,1,0,0,0,0|2,0,0]=4 7801 B13R1.9 Cc1ccc(cn1)OCCCCO 34a_100000745506_100011216708 [1,1,0,0,0,0|2,0,0]=4 7802 B13R1.9 Cc1ccc(cn1)OCCCCO 7a_100000745506_100000210776 [1,1,0,0,0,0|2,0,0]=4 7803 B13R1.9 Cc1ccc(nc1)COCCCO 34a_100012001401_100000230001 [1,1,0,0,0,0|2,0,0]=4 7804 B13R1.9 Cc1ccc(nc1)OCCCCO 34a_100000759353_100011216708 [1,1,0,0,0,0|2,0,0]=4 7805 B13R1.9 ClCCCOCc1ccc(cc1)Br 34a_100000230001_100000189115 [1,1,0,0,0,0|1,1,0]=4 7806 B13R1.9 ClCCCOCc1ccc(cc1)Cl 34a_100000230001_100000694040 [1,1,0,0,0,0|1,0,0]=3 7807 B13R1.9 ClCCCOCc1ccc(cc1)I 34a_100000230001_100000189116 [1,1,0,0,0,0|1,1,0]=4 7808 B13R1.9 ClCCCOCc1ccc(cn1)Cl 34a_100000230001_100012066911 [1,1,0,0,0,0|2,0,0]=4 7809 B13R1.9 ClCCCOCc1ccc(nc1)Cl 34a_100000230001_100000735431 [1,1,0,0,0,0|2,0,0]=4 7810 B13R1.9 Clc1ccc(cc1)CCOCCBr 34a_100000211926_100011713675 [1,1,0,0,0,0|2,0,0]=4 7811 B13R1.9 Clc1ccc(cc1)COCCCBr 34a_100011217188_100000694040 [1,1,0,0,0,0|1,0,0]=3 7812 B13R1.9 Clc1ccc(cn1)COCCCBr 34a_100011217188_100000735431 [1,1,0,0,0,0|2,0,0]=4 7813 B13R1.9 Clc1ccc(nc1)COCCCBr 34a_100011217188_100012066911 [1,1,0,0,0,0|2,0,0]=4 7814 B13R1.9 FCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000729493 [1,1,0,0,0,0|2,0,0]=4 7815 B13R1.9 FCCCCNc1ccc(cc1)Cl 34a_100000210052_100000729493 [1,1,0,0,0,0|2,0,0]=4 7816 B13R1.9 FCCCCOc1ccc(cc1)Br 34a_100000185759_100000729493 [1,1,0,0,0,0|1,1,0]=4 7817 B13R1.9 FCCCCOc1ccc(cc1)Br 7a_100000185759_100000729493 [1,1,0,0,0,0|1,1,0]=4 7818 B13R1.9 FCCCCOc1ccc(cc1)Cl 34a_100000210216_100000729493 [1,1,0,0,0,0|1,0,0]=3 7819 B13R1.9 FCCCCOc1ccc(cc1)Cl 7a_100000210216_100000729493 [1,1,0,0,0,0|1,0,0]=3 7820 B13R1.9 FCCCCOc1ccc(cc1)F 34a_100000210339_100000729493 [1,1,0,0,0,0|1,1,0]=4 7821 B13R1.9 FCCCCOc1ccc(cc1)I 34a_100000212066_100000729493 [1,1,0,0,0,0|1,1,0]=4 7822 B13R1.9 FCCCCOc1ccc(cc1)I 7a_100000212066_100000729493 [1,1,0,0,0,0|1,1,0]=4 7823 B13R1.9 FCCCCOc1ccc(cn1)Cl 34a_100011215309_100000729493 [1,1,0,0,0,0|2,0,0]=4 7824 B13R1.9 FCCCCOc1ccc(nc1)Cl 34a_100000744096_100000729493 [1,1,0,0,0,0|2,0,0]=4 7825 B13R1.9 FCCCCOc1ccc(nc1)Cl 7a_100000744096_100000729493 [1,1,0,0,0,0|2,0,0]=4 7826 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000729493_100000755918 [1,1,0,0,0,0|1,1,0]=4 7827 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000755918_100000729493 [1,1,0,0,0,0|1,1,0]=4 7828 B13R1.9 FCCCNCc1ccc(cc1)Cl 207a_100015189416_100000189385 [1,1,0,0,0,0|2,0,0]=4 7829 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011934791 [1,1,0,0,0,0|2,0,0]=4 7830 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100015189416_100000694040 [1,1,0,0,0,0|2,0,0]=4 7831 B13R1.9 FCCCNCc1ccc(cc1)Cl 270004a_100015189416_100000189385 [1,1,0,0,0,0|2,0,0]=4 7832 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100000174871_100011934791 [1,1,0,0,0,0|2,0,0]=4 7833 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100015189416_100000694040 [1,1,0,0,0,0|2,0,0]=4 7834 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000695286_100011934791 [1,1,0,0,0,0|1,1,0]=4 7835 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000759539_100000189115 [1,1,0,0,0,0|1,1,0]=4 7836 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000211118_100011934791 [1,1,0,0,0,0|1,0,0]=3 7837 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000759539_100000694040 [1,1,0,0,0,0|1,0,0]=3 7838 B13R1.9 FCCCOCc1ccc(cc1)Cl 7a_100000211118_100011934791 [1,1,0,0,0,0|1,0,0]=3 7839 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000210977_100011934791 [1,1,0,0,0,0|1,1,0]=4 7840 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000759539_100000198546 [1,1,0,0,0,0|1,1,0]=4 7841 B13R1.9 FCCCOCc1ccc(cc1)F 7a_100000210977_100011934791 [1,1,0,0,0,0|1,1,0]=4 7842 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000690907_100011934791 [1,1,0,0,0,0|1,1,0]=4 7843 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000759539_100000189116 [1,1,0,0,0,0|1,1,0]=4 7844 B13R1.9 FCCCOCc1ccc(cc1)I 7a_100000690907_100011934791 [1,1,0,0,0,0|1,1,0]=4 7845 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000703999_100011934791 [1,1,0,0,0,0|2,0,0]=4 7846 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000759539_100012066911 [1,1,0,0,0,0|2,0,0]=4 7847 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000755211_100011934791 [1,1,0,0,0,0|2,0,0]=4 7848 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000759539_100000735431 [1,1,0,0,0,0|2,0,0]=4 7849 B13R1.9 FCCCOCc1ccc(nc1)Cl 7a_100000755211_100011934791 [1,1,0,0,0,0|2,0,0]=4 7850 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100000187161_100011934791 [1,1,0,0,0,0|1,1,0]=4 7851 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100011934791_100000187161 [1,1,0,0,0,0|1,1,0]=4 7852 B13R1.9 FCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011217306 [1,1,0,0,0,0|2,0,0]=4 7853 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000185265_100011217306 [1,1,0,0,0,0|2,0,0]=4 7854 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000724931_100011713675 [1,1,0,0,0,0|2,0,0]=4 7855 B13R1.9 FCCOCCc1ccc(cc1)Cl 34a_100011219627_100011217306 [1,1,0,0,0,0|2,0,0]=4 7856 B13R1.9 FCCOCCc1ccc(cc1)Cl 7a_100011219627_100011217306 [1,1,0,0,0,0|2,0,0]=4 7857 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011217306_100011713675 [1,1,0,0,0,0|2,0,0]=4 7858 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011713675_100011217306 [1,1,0,0,0,0|2,0,0]=4 7859 B13R1.9 FCNCCCc1ccc(cc1)Cl 34a_100000748451_100015361967 [1,1,0,0,0,0|2,0,0]=4 7860 B13R1.9 FCNCCOc1ccc(cc1)Br 34a_100000746992_100015361967 [1,1,0,0,0,0|1,1,0]=4 7861 B13R1.9 FCNCCOc1ccc(cc1)Cl 34a_100000697975_100015361967 [1,1,0,0,0,0|1,0,0]=3 7862 B13R1.9 FCNCCOc1ccc(cc1)F 34a_100000737420_100015361967 [1,1,0,0,0,0|1,1,0]=4 7863 B13R1.9 FCOCCCc1ccc(cc1)Cl 34a_100011217485_100015361967 [1,1,0,0,0,0|2,0,0]=4 7864 B13R1.9 FCOCCCc1ccc(cc1)Cl 7a_100011217485_100015361967 [1,1,0,0,0,0|2,0,0]=4 7865 B13R1.9 FCOCCOc1ccc(cc1)Br 34a_100000686261_100015361967 [1,1,0,0,0,0|1,1,0]=4 7866 B13R1.9 FCOCCOc1ccc(cc1)Br 7a_100000686261_100015361967 [1,1,0,0,0,0|1,1,0]=4 7867 B13R1.9 FCOCCOc1ccc(cc1)Cl 34a_100000237962_100015361967 [1,1,0,0,0,0|1,0,0]=3 7868 B13R1.9 FCOCCOc1ccc(cc1)Cl 7a_100000237962_100015361967 [1,1,0,0,0,0|1,0,0]=3 7869 B13R1.9 FCOCCSc1ccc(cc1)Cl 34a_100000230527_100015361967 [1,1,0,0,0,0|1,1,0]=4 7870 B13R1.9 FCOCCSc1ccc(cc1)Cl 7a_100000230527_100015361967 [1,1,0,0,0,0|1,1,0]=4 7871 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100000759440_100015361967 [1,1,0,0,0,0|2,0,0]=4 7872 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100015361967_100000759440 [1,1,0,0,0,0|2,0,0]=4 7873 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100000183278_100015361967 [1,1,0,0,0,0|1,1,0]=4 7874 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100015361967_100000183278 [1,1,0,0,0,0|1,1,0]=4 7875 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100000184122_100015361967 [1,1,0,0,0,0|1,0,0]=3 7876 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100015361967_100000184122 [1,1,0,0,0,0|1,0,0]=3 7877 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100000184936_100015361967 [1,1,0,0,0,0|1,1,0]=4 7878 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100015361967_100000184936 [1,1,0,0,0,0|1,1,0]=4 7879 B13R1.9 Fc1ccc(cc1)COCCCBr 34a_100011217188_100000198546 [1,1,0,0,0,0|1,1,0]=4 7880 B13R1.9 Fc1ccc(cc1)COCCCCl 34a_100000230001_100000198546 [1,1,0,0,0,0|1,1,0]=4 7881 B13R1.9 N#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000687738 [1,1,0,0,0,0|2,0,0]=4 7882 B13R1.9 N#CCCCOc1ccc(cc1)Br 7a_100000185759_100000687738 [1,1,0,0,0,0|1,1,0]=4 7883 B13R1.9 N#CCCCOc1ccc(cc1)Cl 7a_100000210216_100000687738 [1,1,0,0,0,0|1,0,0]=3 7884 B13R1.9 N#CCCCOc1ccc(cc1)I 7a_100000212066_100000687738 [1,1,0,0,0,0|1,1,0]=4 7885 B13R1.9 N#CCCCOc1ccc(nc1)Cl 7a_100000744096_100000687738 [1,1,0,0,0,0|2,0,0]=4 7886 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000687738_100000755918 [1,1,0,0,0,0|1,1,0]=4 7887 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000755918_100000687738 [1,1,0,0,0,0|1,1,0]=4 7888 B13R1.9 N#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000184422 [1,1,0,0,0,0|1,0,1]=4 7889 B13R1.9 NCCCOCc1ccc(cc1)Br 34a_100000182051_100000189115 [1,1,0,0,0,0|1,1,0]=4 7890 B13R1.9 NCCCOCc1ccc(cc1)Cl 34a_100000182051_100000694040 [1,1,0,0,0,0|1,0,0]=3 7891 B13R1.9 NCCCOCc1ccc(cc1)F 34a_100000182051_100000198546 [1,1,0,0,0,0|1,1,0]=4 7892 B13R1.9 NCCCOCc1ccc(cc1)I 34a_100000182051_100000189116 [1,1,0,0,0,0|1,1,0]=4 7893 B13R1.9 NCCCOCc1ccc(cn1)Cl 34a_100000182051_100012066911 [1,1,0,0,0,0|2,0,0]=4 7894 B13R1.9 NCCCOCc1ccc(nc1)Cl 34a_100000182051_100000735431 [1,1,0,0,0,0|2,0,0]=4 7895 B13R1.9 NCCOCCc1ccc(cc1)Cl 34a_100000210304_100011713675 [1,1,0,0,0,0|2,0,0]=4 7896 B13R1.9 NOCCOCc1ccc(cc1)Cl 34a_100000700252_100000694040 [1,1,0,0,0,0|2,0,0]=4 7897 B13R1.9 Nc1ccc(cc1)CCOCCO 34a_100011204434_100000211926 [1,1,0,0,0,0|2,0,0]=4 7898 B13R1.9 Nc1ccc(cc1)COCCCF 34a_100011215238_100011934791 [1,1,0,0,0,0|2,0,0]=4 7899 B13R1.9 Nc1ccc(cc1)COCCCO 34a_100011215238_100000230001 [1,1,0,0,0,0|1,0,0]=3 7900 B13R1.9 Nc1ccc(cc1)OCC#CCO 34a_100000185829_200000047223 [1,1,0,0,0,0|1,0,1]=4 7901 B13R1.9 Nc1ccc(cc1)OCCCCF 34a_100000185829_100000729493 [1,1,0,0,0,0|2,0,0]=4 7902 B13R1.9 Nc1ccc(cc1)OCCCCO 34a_100000185829_100011216708 [1,1,0,0,0,0|1,0,0]=3 7903 B13R1.9 Nc1ccc(cc1)OCCOCF 34a_100000754363_100015361967 [1,1,0,0,0,0|2,0,0]=4 7904 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000185761_100000210776 [1,1,0,0,0,0|1,1,0]=4 7905 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000210776_100000185761 [1,1,0,0,0,0|1,1,0]=4 7906 B13R1.9 Nc1ccc(cn1)COCCCO 34a_100000704267_100000230001 [1,1,0,0,0,0|2,0,0]=4 7907 B13R1.9 Nc1ccc(cn1)OCCCCO 34a_100015188713_100011216708 [1,1,0,0,0,0|2,0,0]=4 7908 B13R1.9 Nc1ccc(cn1)OCCCCO 7a_100015188713_100000210776 [1,1,0,0,0,0|2,0,0]=4 7909 B13R1.9 Nc1ccc(nc1)COCCCO 34a_100011998161_100000230001 [1,1,0,0,0,0|2,0,0]=4 7910 B13R1.9 Nc1ccc(nc1)OCCCCO 34a_100000729260_100011216708 [1,1,0,0,0,0|2,0,0]=4 7911 B13R1.9 O=CCCCNc1ccc(cc1)Cl 2230a_100000210052_200011292268 [1,1,0,0,0,0|1,0,1]=4 7912 B13R1.9 O=CCCCOc1ccc(cc1)Br 7a_100000185759_200011292268 [1,1,0,0,0,0|0,1,1]=4 7913 B13R1.9 O=CCCCOc1ccc(cc1)Cl 7a_100000210216_200011292268 [1,1,0,0,0,0|0,0,1]=3 7914 B13R1.9 O=CCCCOc1ccc(cc1)I 7a_100000212066_200011292268 [1,1,0,0,0,0|0,1,1]=4 7915 B13R1.9 O=CCCCOc1ccc(nc1)Cl 7a_100000744096_200011292268 [1,1,0,0,0,0|1,0,1]=4 7916 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_100000755918_200011292268 [1,1,0,0,0,0|0,1,1]=4 7917 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_200011292268_100000755918 [1,1,0,0,0,0|0,1,1]=4 7918 B13R1.9 O=c1ccc(c[nH]1)COCCCO 34a_100011999846_100000230001 [1,1,0,0,0,0|2,0,0]=4 7919 B13R1.9 O=c1ccc(c[nH]1)OCCCCO 34a_100000075641_100011216708 [1,1,0,0,0,0|2,0,0]=4 7920 B13R1.9 OCC#CCNc1ccc(cc1)Cl 2230a_100000210052_200000047223 [1,1,0,0,0,0|1,0,1]=4 7921 B13R1.9 OCC#CCNc1ccc(cc1)Cl 34a_100000210052_200000047223 [1,1,0,0,0,0|1,0,1]=4 7922 B13R1.9 OCC#CCOc1ccc(cc1)Br 34a_100000185759_200000047223 [1,1,0,0,0,0|0,1,1]=4 7923 B13R1.9 OCC#CCOc1ccc(cc1)Br 7a_100000185759_200000047223 [1,1,0,0,0,0|0,1,1]=4 7924 B13R1.9 OCC#CCOc1ccc(cc1)Cl 34a_100000210216_200000047223 [1,1,0,0,0,0|0,0,1]=3 7925 B13R1.9 OCC#CCOc1ccc(cc1)Cl 7a_100000210216_200000047223 [1,1,0,0,0,0|0,0,1]=3 7926 B13R1.9 OCC#CCOc1ccc(cc1)F 34a_100000210339_200000047223 [1,1,0,0,0,0|0,1,1]=4 7927 B13R1.9 OCC#CCOc1ccc(cc1)I 34a_100000212066_200000047223 [1,1,0,0,0,0|0,1,1]=4 7928 B13R1.9 OCC#CCOc1ccc(cc1)I 7a_100000212066_200000047223 [1,1,0,0,0,0|0,1,1]=4 7929 B13R1.9 OCC#CCOc1ccc(cn1)Cl 34a_100011215309_200000047223 [1,1,0,0,0,0|1,0,1]=4 7930 B13R1.9 OCC#CCOc1ccc(nc1)Cl 34a_100000744096_200000047223 [1,1,0,0,0,0|1,0,1]=4 7931 B13R1.9 OCC#CCOc1ccc(nc1)Cl 7a_100000744096_200000047223 [1,1,0,0,0,0|1,0,1]=4 7932 B13R1.9 OCC#CCSc1ccc(cc1)Cl 62a_100000755918_200000047223 [1,1,0,0,0,0|0,1,1]=4 7933 B13R1.9 OCC#CCSc1ccc(cc1)Cl 62a_200000047223_100000755918 [1,1,0,0,0,0|0,1,1]=4 7934 B13R1.9 OCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210776 [1,1,0,0,0,0|1,1,0]=4 7935 B13R1.9 OCCCCNc1ccc(cc1)Br 34a_100000210018_100011216708 [1,1,0,0,0,0|1,1,0]=4 7936 B13R1.9 OCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210776 [1,1,0,0,0,0|1,0,0]=3 7937 B13R1.9 OCCCCNc1ccc(cc1)Cl 34a_100000210052_100011216708 [1,1,0,0,0,0|1,0,0]=3 7938 B13R1.9 OCCCCNc1ccc(cc1)F 34a_100000185862_100011216708 [1,1,0,0,0,0|1,1,0]=4 7939 B13R1.9 OCCCCNc1ccc(cc1)I 34a_100000185761_100011216708 [1,1,0,0,0,0|1,1,0]=4 7940 B13R1.9 OCCCCNc1ccc(cc1)O 34a_100000185829_100011216708 [1,1,0,0,0,0|2,0,0]=4 7941 B13R1.9 OCCCCOc1ccc(cc1)Br 34a_100000185759_100011216708 [1,1,0,0,0,0|0,1,0]=3 7942 B13R1.9 OCCCCOc1ccc(cc1)Br 7a_100000185759_100000210776 [1,1,0,0,0,0|0,1,0]=3 7943 B13R1.9 OCCCCOc1ccc(cc1)Cl 34a_100000210216_100011216708 [1,1,0,0,0,0|0,0,0]=2 7944 B13R1.9 OCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210776 [1,1,0,0,0,0|0,0,0]=2 7945 B13R1.9 OCCCCOc1ccc(cc1)F 34a_100000210339_100011216708 [1,1,0,0,0,0|0,1,0]=3 7946 B13R1.9 OCCCCOc1ccc(cc1)I 34a_100000212066_100011216708 [1,1,0,0,0,0|0,1,0]=3 7947 B13R1.9 OCCCCOc1ccc(cc1)I 7a_100000212066_100000210776 [1,1,0,0,0,0|0,1,0]=3 7948 B13R1.9 OCCCCOc1ccc(cn1)Cl 34a_100011215309_100011216708 [1,1,0,0,0,0|1,0,0]=3 7949 B13R1.9 OCCCCOc1ccc(cn1)F 34a_100000742473_100011216708 [1,1,0,0,0,0|1,1,0]=4 7950 B13R1.9 OCCCCOc1ccc(nc1)Br 34a_100000685995_100011216708 [1,1,0,0,0,0|1,1,0]=4 7951 B13R1.9 OCCCCOc1ccc(nc1)Br 7a_100000685995_100000210776 [1,1,0,0,0,0|1,1,0]=4 7952 B13R1.9 OCCCCOc1ccc(nc1)Cl 34a_100000744096_100011216708 [1,1,0,0,0,0|1,0,0]=3 7953 B13R1.9 OCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210776 [1,1,0,0,0,0|1,0,0]=3 7954 B13R1.9 OCCCCOc1ccc(nc1)F 34a_100000688820_100011216708 [1,1,0,0,0,0|1,1,0]=4 7955 B13R1.9 OCCCCOc1ccc(nc1)F 7a_100000688820_100000210776 [1,1,0,0,0,0|1,1,0]=4 7956 B13R1.9 OCCCCOc1ccc(nc1)I 34a_100000687607_100011216708 [1,1,0,0,0,0|1,1,0]=4 7957 B13R1.9 OCCCCOc1ccc(nc1)I 7a_100000687607_100000210776 [1,1,0,0,0,0|1,1,0]=4 7958 B13R1.9 OCCCCOc1cnc(cn1)Cl 34a_100015839800_100011216708 [1,1,0,0,0,0|2,0,0]=4 7959 B13R1.9 OCCCCOc1cnc(nc1)Cl 34a_100000092845_100011216708 [1,1,0,0,0,0|2,0,0]=4 7960 B13R1.9 OCCCCOc1cnc(nc1)Cl 7a_100000092845_100000210776 [1,1,0,0,0,0|2,0,0]=4 7961 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000210776_100000752885 [1,1,0,0,0,0|0,2,0]=4 7962 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000752885_100000210776 [1,1,0,0,0,0|0,2,0]=4 7963 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000210776_100000755918 [1,1,0,0,0,0|0,1,0]=3 7964 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210776 [1,1,0,0,0,0|0,1,0]=3 7965 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000210776_100000211213 [1,1,0,0,0,0|0,2,0]=4 7966 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000211213_100000210776 [1,1,0,0,0,0|0,2,0]=4 7967 B13R1.9 OCCCCSc1ccc(cc1)O 62a_100000210776_100000185759 [1,1,0,0,0,0|1,1,0]=4 7968 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100000210776_100011356976 [1,1,0,0,0,0|1,1,0]=4 7969 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210776 [1,1,0,0,0,0|1,1,0]=4 7970 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210776 [1,1,0,0,0,0|1,1,0]=4 7971 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000210776_100000034144 [1,1,0,0,0,0|1,1,0]=4 7972 B13R1.9 OCCCNCc1ccc(cc1)Br 207a_100000182051_100000186029 [1,1,0,0,0,0|1,1,0]=4 7973 B13R1.9 OCCCNCc1ccc(cc1)Br 2230a_100000174875_100000230001 [1,1,0,0,0,0|1,1,0]=4 7974 B13R1.9 OCCCNCc1ccc(cc1)Br 270004a_100000182051_100000186029 [1,1,0,0,0,0|1,1,0]=4 7975 B13R1.9 OCCCNCc1ccc(cc1)Br 34a_100000174875_100000230001 [1,1,0,0,0,0|1,1,0]=4 7976 B13R1.9 OCCCNCc1ccc(cc1)Cl 207a_100000182051_100000189385 [1,1,0,0,0,0|1,0,0]=3 7977 B13R1.9 OCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000230001 [1,1,0,0,0,0|1,0,0]=3 7978 B13R1.9 OCCCNCc1ccc(cc1)Cl 270004a_100000182051_100000189385 [1,1,0,0,0,0|1,0,0]=3 7979 B13R1.9 OCCCNCc1ccc(cc1)Cl 34a_100000174871_100000230001 [1,1,0,0,0,0|1,0,0]=3 7980 B13R1.9 OCCCNCc1ccc(cc1)F 207a_100000182051_100000210084 [1,1,0,0,0,0|1,1,0]=4 7981 B13R1.9 OCCCNCc1ccc(cc1)F 2230a_100000174882_100000230001 [1,1,0,0,0,0|1,1,0]=4 7982 B13R1.9 OCCCNCc1ccc(cc1)F 270004a_100000182051_100000210084 [1,1,0,0,0,0|1,1,0]=4 7983 B13R1.9 OCCCNCc1ccc(cc1)F 34a_100000174882_100000230001 [1,1,0,0,0,0|1,1,0]=4 7984 B13R1.9 OCCCNCc1ccc(cc1)I 207a_100000182051_100000188517 [1,1,0,0,0,0|1,1,0]=4 7985 B13R1.9 OCCCNCc1ccc(cc1)I 2230a_100016989417_100000230001 [1,1,0,0,0,0|1,1,0]=4 7986 B13R1.9 OCCCNCc1ccc(cc1)I 34a_100016989417_100000230001 [1,1,0,0,0,0|1,1,0]=4 7987 B13R1.9 OCCCNCc1ccc(cc1)O 34a_100000185549_100000230001 [1,1,0,0,0,0|2,0,0]=4 7988 B13R1.9 OCCCNCc1ccc(cn1)Cl 207a_100000182051_100011361569 [1,1,0,0,0,0|2,0,0]=4 7989 B13R1.9 OCCCNCc1ccc(cn1)Cl 270004a_100000182051_100011361569 [1,1,0,0,0,0|2,0,0]=4 7990 B13R1.9 OCCCNCc1ccc(cn1)Cl 34a_100000697193_100000230001 [1,1,0,0,0,0|2,0,0]=4 7991 B13R1.9 OCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000230001 [1,1,0,0,0,0|2,0,0]=4 7992 B13R1.9 OCCCNCc1ccc(nc1)Cl 34a_100000735879_100000230001 [1,1,0,0,0,0|2,0,0]=4 7993 B13R1.9 OCCCOCc1ccc(cc1)Br 34a_100000695286_100000230001 [1,1,0,0,0,0|0,1,0]=3 7994 B13R1.9 OCCCOCc1ccc(cc1)Cl 34a_100000211118_100000230001 [1,1,0,0,0,0|0,0,0]=2 7995 B13R1.9 OCCCOCc1ccc(cc1)Cl 7a_100000211118_100011215043 [1,1,0,0,0,0|0,0,0]=2 7996 B13R1.9 OCCCOCc1ccc(cc1)F 34a_100000210977_100000230001 [1,1,0,0,0,0|0,1,0]=3 7997 B13R1.9 OCCCOCc1ccc(cc1)F 7a_100000210977_100011215043 [1,1,0,0,0,0|0,1,0]=3 7998 B13R1.9 OCCCOCc1ccc(cc1)I 34a_100000690907_100000230001 [1,1,0,0,0,0|0,1,0]=3 7999 B13R1.9 OCCCOCc1ccc(cc1)I 7a_100000690907_100011215043 [1,1,0,0,0,0|0,1,0]=3 8000 B13R1.9 OCCCOCc1ccc(cn1)Br 34a_100000754261_100000230001 [1,1,0,0,0,0|1,1,0]=4 8001 B13R1.9 OCCCOCc1ccc(cn1)Cl 34a_100000703999_100000230001 [1,1,0,0,0,0|1,0,0]=3 8002 B13R1.9 OCCCOCc1ccc(cn1)F 34a_100011999454_100000230001 [1,1,0,0,0,0|1,1,0]=4 8003 B13R1.9 OCCCOCc1ccc(nc1)Br 34a_100009816760_100000230001 [1,1,0,0,0,0|1,1,0]=4 8004 B13R1.9 OCCCOCc1ccc(nc1)Br 7a_100009816760_100011215043 [1,1,0,0,0,0|1,1,0]=4 8005 B13R1.9 OCCCOCc1ccc(nc1)Cl 34a_100000755211_100000230001 [1,1,0,0,0,0|1,0,0]=3 8006 B13R1.9 OCCCOCc1ccc(nc1)Cl 7a_100000755211_100011215043 [1,1,0,0,0,0|1,0,0]=3 8007 B13R1.9 OCCCOCc1ccc(nc1)F 34a_100000079959_100000230001 [1,1,0,0,0,0|1,1,0]=4 8008 B13R1.9 OCCCOCc1cnc(cn1)Cl 34a_100012002382_100000230001 [1,1,0,0,0,0|2,0,0]=4 8009 B13R1.9 OCCCOCc1cnc(nc1)Cl 34a_100009855073_100000230001 [1,1,0,0,0,0|2,0,0]=4 8010 B13R1.9 OCCCOCc1cnc(nc1)Cl 7a_100009855073_100011215043 [1,1,0,0,0,0|2,0,0]=4 8011 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100000189115_100011215043 [1,1,0,0,0,0|0,2,0]=4 8012 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100011215043_100000189115 [1,1,0,0,0,0|0,2,0]=4 8013 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100000187161_100011215043 [1,1,0,0,0,0|0,1,0]=3 8014 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100011215043_100000187161 [1,1,0,0,0,0|0,1,0]=3 8015 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100000198546_100011215043 [1,1,0,0,0,0|0,2,0]=4 8016 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100011215043_100000187164 [1,1,0,0,0,0|0,2,0]=4 8017 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100000189116_100011215043 [1,1,0,0,0,0|0,2,0]=4 8018 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100011215043_100000189116 [1,1,0,0,0,0|0,2,0]=4 8019 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100011215043_100000697101 [1,1,0,0,0,0|1,1,0]=4 8020 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100012066911_100011215043 [1,1,0,0,0,0|1,1,0]=4 8021 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100000735431_100011215043 [1,1,0,0,0,0|1,1,0]=4 8022 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100011215043_100000735431 [1,1,0,0,0,0|1,1,0]=4 8023 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100000755846_100000211926 [1,1,0,0,0,0|1,1,0]=4 8024 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100016997473_100011740612 [1,1,0,0,0,0|1,1,0]=4 8025 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100000755846_100000211926 [1,1,0,0,0,0|1,1,0]=4 8026 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100016990907_100011740612 [1,1,0,0,0,0|1,1,0]=4 8027 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000211926 [1,1,0,0,0,0|1,0,0]=3 8028 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100016997473_100011713675 [1,1,0,0,0,0|1,0,0]=3 8029 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100000185265_100000211926 [1,1,0,0,0,0|1,0,0]=3 8030 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100016990907_100011713675 [1,1,0,0,0,0|1,0,0]=3 8031 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100000199005_100000211926 [1,1,0,0,0,0|1,1,0]=4 8032 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100016997473_100011217392 [1,1,0,0,0,0|1,1,0]=4 8033 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100000199005_100000211926 [1,1,0,0,0,0|1,1,0]=4 8034 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100016990907_100011217392 [1,1,0,0,0,0|1,1,0]=4 8035 B13R1.9 OCCNCCc1ccc(cc1)O 2230a_100016997473_100009816426 [1,1,0,0,0,0|2,0,0]=4 8036 B13R1.9 OCCNCCc1ccc(cc1)O 34a_100000743037_100000211926 [1,1,0,0,0,0|2,0,0]=4 8037 B13R1.9 OCCNN=Cc1ccc(cc1)Cl 4a_100000210001_100000189385 [1,1,0,0,0,0|2,0,0]=4 8038 B13R1.9 OCCOCCc1ccc(cc1)Br 34a_100000766406_100000211926 [1,1,0,0,0,0|1,1,0]=4 8039 B13R1.9 OCCOCCc1ccc(cc1)Br 7a_100000766406_100000211926 [1,1,0,0,0,0|1,1,0]=4 8040 B13R1.9 OCCOCCc1ccc(cc1)Cl 34a_100011219627_100000211926 [1,1,0,0,0,0|1,0,0]=3 8041 B13R1.9 OCCOCCc1ccc(cc1)Cl 7a_100011219627_100000211926 [1,1,0,0,0,0|1,0,0]=3 8042 B13R1.9 OCCOCCc1ccc(cc1)F 34a_100000754732_100000211926 [1,1,0,0,0,0|1,1,0]=4 8043 B13R1.9 OCCOCCc1ccc(cc1)F 7a_100000754732_100000211926 [1,1,0,0,0,0|1,1,0]=4 8044 B13R1.9 OCCOCCc1ccc(cc1)I 34a_100012291149_100000211926 [1,1,0,0,0,0|1,1,0]=4 8045 B13R1.9 OCCOCCc1ccc(cc1)I 7a_100012291149_100000211926 [1,1,0,0,0,0|1,1,0]=4 8046 B13R1.9 OCCOCCc1ccc(nc1)Cl 34a_100009880866_100000211926 [1,1,0,0,0,0|2,0,0]=4 8047 B13R1.9 OCCOCCc1ccc(nc1)Cl 7a_100009880866_100000211926 [1,1,0,0,0,0|2,0,0]=4 8048 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100000211926_100011740612 [1,1,0,0,0,0|1,1,0]=4 8049 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100011740612_100000211926 [1,1,0,0,0,0|1,1,0]=4 8050 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100000211926_100011713675 [1,1,0,0,0,0|1,0,0]=3 8051 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100011713675_100000211926 [1,1,0,0,0,0|1,0,0]=3 8052 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100000211926_100011217392 [1,1,0,0,0,0|1,1,0]=4 8053 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100011217392_100000211926 [1,1,0,0,0,0|1,1,0]=4 8054 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100000211926_100009816426 [1,1,0,0,0,0|2,0,0]=4 8055 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100009816426_100000211926 [1,1,0,0,0,0|2,0,0]=4 8056 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [1,1,0,0,0,0|2,0,0]=4 8057 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [1,1,0,0,0,0|2,0,0]=4 8058 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 2230a_200011199081_200025704644 [1,1,0,0,0,0|1,0,0]=3 8059 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 34a_200011199081_200025704644 [1,1,0,0,0,0|1,0,0]=3 8060 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 2230a_100000747263_200025704644 [1,1,0,0,0,0|1,1,0]=4 8061 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 34a_100000747263_200025704644 [1,1,0,0,0,0|1,1,0]=4 8062 B13R1.9 [13CH3]NCCCSc1ccc(cc1)Cl 2230a_100000189518_200025704644 [1,1,0,0,0,0|1,1,0]=4 8063 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 2230a_100000189180_200025704644 [1,1,0,0,0,0|2,0,0]=4 8064 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 34a_100000189180_200025704644 [1,1,0,0,0,0|2,0,0]=4 8065 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 34a_100000756186_200025704644 [1,1,0,0,0,0|0,1,0]=3 8066 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 7a_100000756186_200025704644 [1,1,0,0,0,0|0,1,0]=3 8067 B13R1.9 [13CH3]OCCCOc1ccc(cc1)N 34a_100000730458_200025704644 [1,1,0,0,0,0|1,0,0]=3 8068 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 34a_200000186141_200025704644 [1,1,0,0,0,0|2,0,0]=4 8069 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 7a_200000186141_200025704644 [1,1,0,0,0,0|2,0,0]=4 8070 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_100011259224_200025704644 [1,1,0,0,0,0|0,2,0]=4 8071 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_200025704644_100011259224 [1,1,0,0,0,0|0,2,0]=4 8072 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_100000181347_200025704644 [1,1,0,0,0,0|0,2,0]=4 8073 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_200025704644_100000181347 [1,1,0,0,0,0|0,2,0]=4 8074 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 34a_100000031831_100000230001 [1,1,0,0,0,0|2,0,0]=4 8075 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 7a_100000031831_100011215043 [1,1,0,0,0,0|2,0,0]=4 8076 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 2230a_100016997473_100000684792 [1,1,0,0,0,0|2,0,0]=4 8077 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000185797 [1,1,0,0,0,0|2,0,0]=4 8078 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000211926_100000684792 [1,1,0,0,0,0|2,0,0]=4 8079 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000684792_100000211926 [1,1,0,0,0,0|2,0,0]=4 8080 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210211 [1,1,0,0,0,0|2,0,0]=4 8081 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210211 [1,1,0,0,0,0|2,0,0]=4 8082 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210211 [1,1,0,0,0,0|2,0,0]=4 8083 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210210 [1,1,0,0,0,0|2,0,0]=4 8084 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 2230a_100020629279_100011934791 [1,1,0,0,0,0|2,0,0]=4 8085 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 269982a_100020629279_100011934791 [1,1,0,0,0,0|2,0,0]=4 8086 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 34a_100020629279_100011934791 [1,1,0,0,0,0|2,0,0]=4 8087 B13R1.17 CN(CCCO)c1ccc(cc1)Br 2230a_100000219623_100000230001 [1,1,0,0,0,0|1,1,0]=4 8088 B13R1.17 CN(CCCO)c1ccc(cc1)Br 269982a_100000219623_100011215043 [1,1,0,0,0,0|1,1,0]=4 8089 B13R1.17 CN(CCCO)c1ccc(cc1)Br 34a_100000219623_100000230001 [1,1,0,0,0,0|1,1,0]=4 8090 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 2230a_100020629279_100000230001 [1,1,0,0,0,0|1,0,0]=3 8091 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 269982a_100020629279_100011215043 [1,1,0,0,0,0|1,0,0]=3 8092 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 34a_100020629279_100000230001 [1,1,0,0,0,0|1,0,0]=3 8093 B13R1.17 CN(CCCO)c1ccc(cc1)F 2230a_100000219829_100000230001 [1,1,0,0,0,0|1,1,0]=4 8094 B13R1.17 CN(CCCO)c1ccc(cc1)F 269982a_100000219829_100011215043 [1,1,0,0,0,0|1,1,0]=4 8095 B13R1.17 CN(CCCO)c1ccc(cc1)F 34a_100000219829_100000230001 [1,1,0,0,0,0|1,1,0]=4 8096 B13R1.17 CN(CCCO)c1ccc(cc1)I 2230a_100000743151_100000230001 [1,1,0,0,0,0|1,1,0]=4 8097 B13R1.17 CN(CCCO)c1ccc(cc1)I 269982a_100000743151_100011215043 [1,1,0,0,0,0|1,1,0]=4 8098 B13R1.17 CN(CCCO)c1ccc(cc1)I 34a_100000743151_100000230001 [1,1,0,0,0,0|1,1,0]=4 8099 B13R1.17 CN(CCCO)c1ccc(cc1)O 269982a_100000182112_100011215043 [1,1,0,0,0,0|2,0,0]=4 8100 B13R1.17 CN(CCCO)c1ccc(cc1)O 34a_100000182112_100000230001 [1,1,0,0,0,0|2,0,0]=4 8101 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 2230a_100015205461_100000211926 [1,1,0,0,0,0|2,0,0]=4 8102 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 34a_100015205461_100000211926 [1,1,0,0,0,0|2,0,0]=4 8103 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [1,1,0,0,0,0|2,0,0]=4 8104 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [1,1,0,0,0,0|2,0,0]=4 8105 B13R1.17 Cc1ccc(cc1)C(=O)CCCO 1458a_100000188618_100011215043 [1,1,0,0,0,0|2,0,0]=4 8106 B13R1.17 Cc1ccc(cc1)N(C)CCCO 2230a_100000219977_100000230001 [1,1,0,0,0,0|2,0,0]=4 8107 B13R1.17 Cc1ccc(cc1)N(C)CCCO 269982a_100000219977_100011215043 [1,1,0,0,0,0|2,0,0]=4 8108 B13R1.17 Cc1ccc(cc1)N(C)CCCO 34a_100000219977_100000230001 [1,1,0,0,0,0|2,0,0]=4 8109 B13R1.17 O=C(CCCF)c1ccc(cc1)Cl 1458a_100000210187_100011934791 [1,1,0,0,0,0|2,0,0]=4 8110 B13R1.17 O=C(CCCO)c1ccc(cc1)Br 1458a_100000185839_100011215043 [1,1,0,0,0,0|1,1,0]=4 8111 B13R1.17 O=C(CCCO)c1ccc(cc1)Cl 1458a_100000210187_100011215043 [1,1,0,0,0,0|1,0,0]=3 8112 B13R1.17 O=C(CCCO)c1ccc(cc1)F 1458a_100000187176_100011215043 [1,1,0,0,0,0|1,1,0]=4 8113 B13R1.17 O=C(CCCO)c1ccc(cc1)I 1458a_100000187904_100011215043 [1,1,0,0,0,0|1,1,0]=4 8114 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [1,1,0,0,0,0|2,0,0]=4 8115 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 240690a_100000210304_100000210187 [1,1,0,0,0,0|2,0,0]=4 8116 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 527a_100000210304_100000210187 [1,1,0,0,0,0|2,0,0]=4 8117 B13R1.19 CC(CC#N)Oc1ccc(cc1)Cl 7a_100000210216_100009813641 [1,1,0,0,0,0|1,0,1]=4 8118 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 2230a_100000210018_100009893172 [1,1,0,0,0,0|1,1,0]=4 8119 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 34a_100000210018_100009893172 [1,1,0,0,0,0|1,1,0]=4 8120 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 2230a_100000210052_100009893172 [1,1,0,0,0,0|1,0,0]=3 8121 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 34a_100000210052_100009893172 [1,1,0,0,0,0|1,0,0]=3 8122 B13R1.19 CC(CCO)Nc1ccc(cc1)F 34a_100000185862_100009893172 [1,1,0,0,0,0|1,1,0]=4 8123 B13R1.19 CC(CCO)Nc1ccc(cc1)I 34a_100000185761_100009893172 [1,1,0,0,0,0|1,1,0]=4 8124 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [1,1,0,0,0,0|2,0,0]=4 8125 B13R1.19 CC(CCO)Oc1ccc(=O)[nH]c1 34a_100000075641_100009893172 [1,1,0,0,0,0|2,0,0]=4 8126 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 34a_100000185759_100009893172 [1,1,0,0,0,0|0,1,0]=3 8127 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 7a_100000185759_100009893172 [1,1,0,0,0,0|0,1,0]=3 8128 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 34a_100000210216_100009893172 [1,1,0,0,0,0|0,0,0]=2 8129 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 7a_100000210216_100009893172 [1,1,0,0,0,0|0,0,0]=2 8130 B13R1.19 CC(CCO)Oc1ccc(cc1)F 34a_100000210339_100009893172 [1,1,0,0,0,0|0,1,0]=3 8131 B13R1.19 CC(CCO)Oc1ccc(cc1)I 34a_100000212066_100009893172 [1,1,0,0,0,0|0,1,0]=3 8132 B13R1.19 CC(CCO)Oc1ccc(cc1)I 7a_100000212066_100009893172 [1,1,0,0,0,0|0,1,0]=3 8133 B13R1.19 CC(CCO)Oc1ccc(cc1)N 34a_100000185829_100009893172 [1,1,0,0,0,0|1,0,0]=3 8134 B13R1.19 CC(CCO)Oc1ccc(cn1)Cl 34a_100011215309_100009893172 [1,1,0,0,0,0|1,0,0]=3 8135 B13R1.19 CC(CCO)Oc1ccc(cn1)F 34a_100000742473_100009893172 [1,1,0,0,0,0|1,1,0]=4 8136 B13R1.19 CC(CCO)Oc1ccc(cn1)N 34a_100000729260_100009893172 [1,1,0,0,0,0|2,0,0]=4 8137 B13R1.19 CC(CCO)Oc1ccc(nc1)Br 34a_100000685995_100009893172 [1,1,0,0,0,0|1,1,0]=4 8138 B13R1.19 CC(CCO)Oc1ccc(nc1)Br 7a_100000685995_100009893172 [1,1,0,0,0,0|1,1,0]=4 8139 B13R1.19 CC(CCO)Oc1ccc(nc1)Cl 34a_100000744096_100009893172 [1,1,0,0,0,0|1,0,0]=3 8140 B13R1.19 CC(CCO)Oc1ccc(nc1)Cl 7a_100000744096_100009893172 [1,1,0,0,0,0|1,0,0]=3 8141 B13R1.19 CC(CCO)Oc1ccc(nc1)F 34a_100000688820_100009893172 [1,1,0,0,0,0|1,1,0]=4 8142 B13R1.19 CC(CCO)Oc1ccc(nc1)F 7a_100000688820_100009893172 [1,1,0,0,0,0|1,1,0]=4 8143 B13R1.19 CC(CCO)Oc1ccc(nc1)I 34a_100000687607_100009893172 [1,1,0,0,0,0|1,1,0]=4 8144 B13R1.19 CC(CCO)Oc1ccc(nc1)I 7a_100000687607_100009893172 [1,1,0,0,0,0|1,1,0]=4 8145 B13R1.19 CC(CCO)Oc1ccc(nc1)N 34a_100015188713_100009893172 [1,1,0,0,0,0|2,0,0]=4 8146 B13R1.19 CC(CCO)Oc1ccc(nc1)N 7a_100015188713_100009893172 [1,1,0,0,0,0|2,0,0]=4 8147 B13R1.19 CC(CCO)Oc1cnc(cn1)Cl 34a_100015839800_100009893172 [1,1,0,0,0,0|2,0,0]=4 8148 B13R1.19 CC(CCO)Oc1cnc(nc1)Cl 34a_100000092845_100009893172 [1,1,0,0,0,0|2,0,0]=4 8149 B13R1.19 CC(CCO)Oc1cnc(nc1)Cl 7a_100000092845_100009893172 [1,1,0,0,0,0|2,0,0]=4 8150 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100000752885_100009893172 [1,1,0,0,0,0|0,2,0]=4 8151 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100009893172_100000752885 [1,1,0,0,0,0|0,2,0]=4 8152 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100000755918_100009893172 [1,1,0,0,0,0|0,1,0]=3 8153 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100009893172_100000755918 [1,1,0,0,0,0|0,1,0]=3 8154 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100000211213_100009893172 [1,1,0,0,0,0|0,2,0]=4 8155 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100009893172_100000211213 [1,1,0,0,0,0|0,2,0]=4 8156 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100000185761_100009893172 [1,1,0,0,0,0|1,1,0]=4 8157 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100009893172_100000185761 [1,1,0,0,0,0|1,1,0]=4 8158 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [1,1,0,0,0,0|1,1,0]=4 8159 B13R1.19 CC(CCO)Sc1ccc(cn1)Cl 62a_100009893172_100011356976 [1,1,0,0,0,0|1,1,0]=4 8160 B13R1.19 CC(CCO)Sc1ccc(cn1)Cl 62a_100011356976_100009893172 [1,1,0,0,0,0|1,1,0]=4 8161 B13R1.19 CC(CCO)Sc1ccc(nc1)Cl 62a_100000034144_100009893172 [1,1,0,0,0,0|1,1,0]=4 8162 B13R1.19 CC(CCO)Sc1ccc(nc1)Cl 62a_100009893172_100000034144 [1,1,0,0,0,0|1,1,0]=4 8163 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [1,1,0,0,0,0|2,0,0]=4 8164 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [1,1,0,0,0,0|2,0,0]=4 8165 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [1,1,0,0,0,0|1,1,0]=4 8166 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [1,1,0,0,0,0|1,1,0]=4 8167 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [1,1,0,0,0,0|2,0,0]=4 8168 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [1,1,0,0,0,0|2,0,0]=4 8169 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [1,1,0,0,0,0|1,0,0]=3 8170 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [1,1,0,0,0,0|1,0,0]=3 8171 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [1,1,0,0,0,0|1,1,0]=4 8172 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [1,1,0,0,0,0|1,1,0]=4 8173 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [1,1,0,0,0,0|1,1,0]=4 8174 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [1,1,0,0,0,0|2,0,0]=4 8175 B13R1.19 CCCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000766640 [1,1,0,0,0,0|2,0,0]=4 8176 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000766640 [1,1,0,0,0,0|2,0,0]=4 8177 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000766640 [1,1,0,0,0,0|2,0,0]=4 8178 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [1,1,0,0,0,0|1,1,0]=4 8179 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [1,1,0,0,0,0|1,1,0]=4 8180 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000211926 [1,1,0,0,0,0|2,0,0]=4 8181 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000210263_100000694040 [1,1,0,0,0,0|2,0,0]=4 8182 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000184517_100000211926 [1,1,0,0,0,0|2,0,0]=4 8183 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000210263_100000187161 [1,1,0,0,0,0|2,0,0]=4 8184 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 270004a_100000210263_100000189385 [1,1,0,0,0,0|2,0,0]=4 8185 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 34a_100000184517_100000211926 [1,1,0,0,0,0|2,0,0]=4 8186 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000765312 [1,1,0,0,0,0|2,0,0]=4 8187 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000765312 [1,1,0,0,0,0|2,0,0]=4 8188 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [1,1,0,0,0,0|2,0,0]=4 8189 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [1,1,0,0,0,0|1,0,0]=3 8190 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [1,1,0,0,0,0|1,0,0]=3 8191 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [1,1,0,0,0,0|1,1,0]=4 8192 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [1,1,0,0,0,0|1,1,0]=4 8193 B13R1.19 Cc1ccc(cn1)OC(C)CCO 34a_100000745506_100009893172 [1,1,0,0,0,0|2,0,0]=4 8194 B13R1.19 Cc1ccc(cn1)OC(C)CCO 7a_100000745506_100009893172 [1,1,0,0,0,0|2,0,0]=4 8195 B13R1.19 Cc1ccc(nc1)OC(C)CCO 34a_100000759353_100009893172 [1,1,0,0,0,0|2,0,0]=4 8196 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000211926 [1,1,0,0,0,0|1,0,1]=4 8197 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100011216618_100000694040 [1,1,0,0,0,0|1,0,1]=4 8198 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl 22a_100000210052_100011216618 [1,1,0,0,0,0|1,0,1]=4 8199 B13R1.369 C#CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000688953 [1,1,0,0,0,0|1,0,1]=4 8200 B13R1.369 C#CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000688953 [1,1,0,0,0,0|1,0,1]=4 8201 B13R1.369 C#CCCOc1ccc(cc1C)Cl 34a_100000211091_100000688953 [1,1,0,0,0,0|1,0,1]=4 8202 B13R1.369 C#CCCOc1ccc(cc1C)Cl 7a_100000211091_100000688953 [1,1,0,0,0,0|1,0,1]=4 8203 B13R1.369 C#CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000688953 [1,1,0,0,0,0|1,0,1]=4 8204 B13R1.369 C#CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000688953 [1,1,0,0,0,0|1,0,1]=4 8205 B13R1.369 C#CCCOc1ccc(cc1F)Cl 34a_100000230166_100000688953 [1,1,0,0,0,0|1,0,1]=4 8206 B13R1.369 C#CCCOc1ccc(cc1F)Cl 7a_100000230166_100000688953 [1,1,0,0,0,0|1,0,1]=4 8207 B13R1.369 C#CCCOc1ccc(cc1I)Cl 34a_100011356953_100000688953 [1,1,0,0,0,0|1,0,1]=4 8208 B13R1.369 C#CCCOc1ccc(cc1I)Cl 7a_100011356953_100000688953 [1,1,0,0,0,0|1,0,1]=4 8209 B13R1.369 C#CCCOc1ccc(cc1N)Cl 34a_100000210500_100000688953 [1,1,0,0,0,0|1,0,1]=4 8210 B13R1.369 C#CCCOc1ccc(cc1N)Cl 7a_100000210500_100000688953 [1,1,0,0,0,0|1,0,1]=4 8211 B13R1.369 C=CCCOc1ccc(cc1Br)Cl 34a_100000211998_100000754431 [1,1,0,0,0,0|1,0,1]=4 8212 B13R1.369 C=CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000754431 [1,1,0,0,0,0|1,0,1]=4 8213 B13R1.369 C=CCCOc1ccc(cc1C)Cl 34a_100000211091_100000754431 [1,1,0,0,0,0|1,0,1]=4 8214 B13R1.369 C=CCCOc1ccc(cc1C)Cl 7a_100000211091_100000754431 [1,1,0,0,0,0|1,0,1]=4 8215 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000754431 [1,1,0,0,0,0|1,0,1]=4 8216 B13R1.369 C=CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000754431 [1,1,0,0,0,0|1,0,1]=4 8217 B13R1.369 C=CCCOc1ccc(cc1F)Cl 34a_100000230166_100000754431 [1,1,0,0,0,0|1,0,1]=4 8218 B13R1.369 C=CCCOc1ccc(cc1F)Cl 7a_100000230166_100000754431 [1,1,0,0,0,0|1,0,1]=4 8219 B13R1.369 C=CCCOc1ccc(cc1I)Cl 34a_100011356953_100000754431 [1,1,0,0,0,0|1,0,1]=4 8220 B13R1.369 C=CCCOc1ccc(cc1I)Cl 7a_100011356953_100000754431 [1,1,0,0,0,0|1,0,1]=4 8221 B13R1.369 C=CCCOc1ccc(cc1N)Cl 34a_100000210500_100000754431 [1,1,0,0,0,0|1,0,1]=4 8222 B13R1.369 C=CCCOc1ccc(cc1N)Cl 7a_100000210500_100000754431 [1,1,0,0,0,0|1,0,1]=4 8223 B13R1.369 CCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000210210 [1,1,0,0,0,0|2,0,0]=4 8224 B13R1.369 CCCCNc1ccc(cc1C)Cl 34a_100000210418_100000210210 [1,1,0,0,0,0|2,0,0]=4 8225 B13R1.369 CCCCNc1ccc(cc1C)Cl 7a_100000210418_100000210211 [1,1,0,0,0,0|2,0,0]=4 8226 B13R1.369 CCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000210210 [1,1,0,0,0,0|2,0,0]=4 8227 B13R1.369 CCCCNc1ccc(cc1F)Cl 34a_100000211020_100000210210 [1,1,0,0,0,0|2,0,0]=4 8228 B13R1.369 CCCCNc1ccc(cc1I)Cl 34a_100000761889_100000210210 [1,1,0,0,0,0|2,0,0]=4 8229 B13R1.369 CCCCNc1ccc(cc1O)Cl 34a_100000185728_100000210210 [1,1,0,0,0,0|2,0,0]=4 8230 B13R1.369 CCCCOc1ccc(cc1Br)Br 34a_100000188717_100000210210 [1,1,0,0,0,0|1,1,0]=4 8231 B13R1.369 CCCCOc1ccc(cc1Br)Br 7a_100000188717_100000210211 [1,1,0,0,0,0|1,1,0]=4 8232 B13R1.369 CCCCOc1ccc(cc1Br)C 34a_100000210800_100000210210 [1,1,0,0,0,0|2,0,0]=4 8233 B13R1.369 CCCCOc1ccc(cc1Br)C 7a_100000210800_100000210211 [1,1,0,0,0,0|2,0,0]=4 8234 B13R1.369 CCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000210210 [1,1,0,0,0,0|1,0,0]=3 8235 B13R1.369 CCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210211 [1,1,0,0,0,0|1,0,0]=3 8236 B13R1.369 CCCCOc1ccc(cc1Br)F 34a_100000211999_100000210210 [1,1,0,0,0,0|1,1,0]=4 8237 B13R1.369 CCCCOc1ccc(cc1Br)F 7a_100000211999_100000210211 [1,1,0,0,0,0|1,1,0]=4 8238 B13R1.369 CCCCOc1ccc(cc1Br)I 34a_100012361655_100000210210 [1,1,0,0,0,0|1,1,0]=4 8239 B13R1.369 CCCCOc1ccc(cc1Br)I 7a_100012361655_100000210211 [1,1,0,0,0,0|1,1,0]=4 8240 B13R1.369 CCCCOc1ccc(cc1Br)N 34a_100011534360_100000210210 [1,1,0,0,0,0|2,0,0]=4 8241 B13R1.369 CCCCOc1ccc(cc1Br)N 7a_100011534360_100000210211 [1,1,0,0,0,0|2,0,0]=4 8242 B13R1.369 CCCCOc1ccc(cc1C)Br 34a_100000186361_100000210210 [1,1,0,0,0,0|1,1,0]=4 8243 B13R1.369 CCCCOc1ccc(cc1C)Br 7a_100000186361_100000210211 [1,1,0,0,0,0|1,1,0]=4 8244 B13R1.369 CCCCOc1ccc(cc1C)C 34a_100000211776_100000210210 [1,1,0,0,0,0|2,0,0]=4 8245 B13R1.369 CCCCOc1ccc(cc1C)C 7a_100000211776_100000210211 [1,1,0,0,0,0|2,0,0]=4 8246 B13R1.369 CCCCOc1ccc(cc1C)Cl 34a_100000211091_100000210210 [1,1,0,0,0,0|1,0,0]=3 8247 B13R1.369 CCCCOc1ccc(cc1C)Cl 7a_100000211091_100000210211 [1,1,0,0,0,0|1,0,0]=3 8248 B13R1.369 CCCCOc1ccc(cc1C)F 34a_100000764316_100000210210 [1,1,0,0,0,0|1,1,0]=4 8249 B13R1.369 CCCCOc1ccc(cc1C)F 7a_100000764316_100000210211 [1,1,0,0,0,0|1,1,0]=4 8250 B13R1.369 CCCCOc1ccc(cc1C)I 34a_100011218673_100000210210 [1,1,0,0,0,0|1,1,0]=4 8251 B13R1.369 CCCCOc1ccc(cc1C)I 7a_100011218673_100000210211 [1,1,0,0,0,0|1,1,0]=4 8252 B13R1.369 CCCCOc1ccc(cc1C)N 34a_100011218179_100000210210 [1,1,0,0,0,0|2,0,0]=4 8253 B13R1.369 CCCCOc1ccc(cc1C)N 7a_100011218179_100000210211 [1,1,0,0,0,0|2,0,0]=4 8254 B13R1.369 CCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000210210 [1,1,0,0,0,0|1,1,0]=4 8255 B13R1.369 CCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210211 [1,1,0,0,0,0|1,1,0]=4 8256 B13R1.369 CCCCOc1ccc(cc1Cl)C 34a_100000749699_100000210210 [1,1,0,0,0,0|2,0,0]=4 8257 B13R1.369 CCCCOc1ccc(cc1Cl)C 7a_100000749699_100000210211 [1,1,0,0,0,0|2,0,0]=4 8258 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210210 [1,1,0,0,0,0|1,0,0]=3 8259 B13R1.369 CCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210211 [1,1,0,0,0,0|1,0,0]=3 8260 B13R1.369 CCCCOc1ccc(cc1Cl)F 34a_100000212004_100000210210 [1,1,0,0,0,0|1,1,0]=4 8261 B13R1.369 CCCCOc1ccc(cc1Cl)F 7a_100000212004_100000210211 [1,1,0,0,0,0|1,1,0]=4 8262 B13R1.369 CCCCOc1ccc(cc1Cl)I 34a_100012360047_100000210210 [1,1,0,0,0,0|1,1,0]=4 8263 B13R1.369 CCCCOc1ccc(cc1Cl)I 7a_100012360047_100000210211 [1,1,0,0,0,0|1,1,0]=4 8264 B13R1.369 CCCCOc1ccc(cc1Cl)N 34a_100000744943_100000210210 [1,1,0,0,0,0|2,0,0]=4 8265 B13R1.369 CCCCOc1ccc(cc1Cl)N 7a_100000744943_100000210211 [1,1,0,0,0,0|2,0,0]=4 8266 B13R1.369 CCCCOc1ccc(cc1F)Br 34a_100000185481_100000210210 [1,1,0,0,0,0|1,1,0]=4 8267 B13R1.369 CCCCOc1ccc(cc1F)Br 7a_100000185481_100000210211 [1,1,0,0,0,0|1,1,0]=4 8268 B13R1.369 CCCCOc1ccc(cc1F)C 34a_100011216688_100000210210 [1,1,0,0,0,0|2,0,0]=4 8269 B13R1.369 CCCCOc1ccc(cc1F)C 7a_100011216688_100000210211 [1,1,0,0,0,0|2,0,0]=4 8270 B13R1.369 CCCCOc1ccc(cc1F)Cl 34a_100000230166_100000210210 [1,1,0,0,0,0|1,0,0]=3 8271 B13R1.369 CCCCOc1ccc(cc1F)Cl 7a_100000230166_100000210211 [1,1,0,0,0,0|1,0,0]=3 8272 B13R1.369 CCCCOc1ccc(cc1F)F 34a_100000230127_100000210210 [1,1,0,0,0,0|1,1,0]=4 8273 B13R1.369 CCCCOc1ccc(cc1F)F 7a_100000230127_100000210211 [1,1,0,0,0,0|1,1,0]=4 8274 B13R1.369 CCCCOc1ccc(cc1F)I 34a_100011356965_100000210210 [1,1,0,0,0,0|1,1,0]=4 8275 B13R1.369 CCCCOc1ccc(cc1F)I 7a_100011356965_100000210211 [1,1,0,0,0,0|1,1,0]=4 8276 B13R1.369 CCCCOc1ccc(cc1F)N 34a_100011220035_100000210210 [1,1,0,0,0,0|2,0,0]=4 8277 B13R1.369 CCCCOc1ccc(cc1F)N 7a_100011220035_100000210211 [1,1,0,0,0,0|2,0,0]=4 8278 B13R1.369 CCCCOc1ccc(cc1I)Br 34a_100012355227_100000210210 [1,1,0,0,0,0|1,1,0]=4 8279 B13R1.369 CCCCOc1ccc(cc1I)Br 7a_100012355227_100000210211 [1,1,0,0,0,0|1,1,0]=4 8280 B13R1.369 CCCCOc1ccc(cc1I)C 34a_100000765521_100000210210 [1,1,0,0,0,0|2,0,0]=4 8281 B13R1.369 CCCCOc1ccc(cc1I)C 7a_100000765521_100000210211 [1,1,0,0,0,0|2,0,0]=4 8282 B13R1.369 CCCCOc1ccc(cc1I)Cl 34a_100011356953_100000210210 [1,1,0,0,0,0|1,0,0]=3 8283 B13R1.369 CCCCOc1ccc(cc1I)Cl 7a_100011356953_100000210211 [1,1,0,0,0,0|1,0,0]=3 8284 B13R1.369 CCCCOc1ccc(cc1I)F 34a_100012355409_100000210210 [1,1,0,0,0,0|1,1,0]=4 8285 B13R1.369 CCCCOc1ccc(cc1I)F 7a_100012355409_100000210211 [1,1,0,0,0,0|1,1,0]=4 8286 B13R1.369 CCCCOc1ccc(cc1I)I 7a_100010001573_100000210211 [1,1,0,0,0,0|1,1,0]=4 8287 B13R1.369 CCCCOc1ccc(cc1N)Br 34a_100000752626_100000210210 [1,1,0,0,0,0|1,1,0]=4 8288 B13R1.369 CCCCOc1ccc(cc1N)Br 7a_100000752626_100000210211 [1,1,0,0,0,0|1,1,0]=4 8289 B13R1.369 CCCCOc1ccc(cc1N)C 34a_100011215204_100000210210 [1,1,0,0,0,0|2,0,0]=4 8290 B13R1.369 CCCCOc1ccc(cc1N)C 7a_100011215204_100000210211 [1,1,0,0,0,0|2,0,0]=4 8291 B13R1.369 CCCCOc1ccc(cc1N)Cl 34a_100000210500_100000210210 [1,1,0,0,0,0|1,0,0]=3 8292 B13R1.369 CCCCOc1ccc(cc1N)Cl 7a_100000210500_100000210211 [1,1,0,0,0,0|1,0,0]=3 8293 B13R1.369 CCCCOc1ccc(cc1N)F 34a_100000759472_100000210210 [1,1,0,0,0,0|1,1,0]=4 8294 B13R1.369 CCCCOc1ccc(cc1N)F 7a_100000759472_100000210211 [1,1,0,0,0,0|1,1,0]=4 8295 B13R1.369 CCCCOc1ccc(cc1N)I 34a_100000753495_100000210210 [1,1,0,0,0,0|1,1,0]=4 8296 B13R1.369 CCCCOc1ccc(cc1N)I 7a_100000753495_100000210211 [1,1,0,0,0,0|1,1,0]=4 8297 B13R1.369 CCCCOc1ccc(cc1N)N 34a_100000725306_100000210210 [1,1,0,0,0,0|2,0,0]=4 8298 B13R1.369 CCCCOc1ccc(cc1O)F 271570a_203496583355_200000205391 [1,1,0,0,0,0|1,1,0]=4 8299 B13R1.369 CCCCOc1ccc(nc1Br)Cl 34a_100010219353_100000210210 [1,1,0,0,0,0|2,0,0]=4 8300 B13R1.369 CCCCOc1ccc(nc1Br)Cl 7a_100010219353_100000210211 [1,1,0,0,0,0|2,0,0]=4 8301 B13R1.369 CCCCOc1ccc(nc1C)Cl 34a_100012184626_100000210210 [1,1,0,0,0,0|2,0,0]=4 8302 B13R1.369 CCCCOc1ccc(nc1C)Cl 7a_100012184626_100000210211 [1,1,0,0,0,0|2,0,0]=4 8303 B13R1.369 CCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210210 [1,1,0,0,0,0|2,0,0]=4 8304 B13R1.369 CCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210211 [1,1,0,0,0,0|2,0,0]=4 8305 B13R1.369 CCCCOc1ccc(nc1F)Cl 34a_100009880201_100000210210 [1,1,0,0,0,0|2,0,0]=4 8306 B13R1.369 CCCCOc1ccc(nc1F)Cl 7a_100009880201_100000210211 [1,1,0,0,0,0|2,0,0]=4 8307 B13R1.369 CCCCOc1ccc(nc1I)Cl 34a_100000696390_100000210210 [1,1,0,0,0,0|2,0,0]=4 8308 B13R1.369 CCCCOc1ccc(nc1I)Cl 7a_100000696390_100000210211 [1,1,0,0,0,0|2,0,0]=4 8309 B13R1.369 CCCCOc1ccc(nc1N)Cl 34a_100000717809_100000210210 [1,1,0,0,0,0|2,0,0]=4 8310 B13R1.369 CCCCOc1ccc(nc1N)Cl 7a_100000717809_100000210211 [1,1,0,0,0,0|2,0,0]=4 8311 B13R1.369 CCCCOc1cnc(cc1C)Cl 34a_100000692680_100000210210 [1,1,0,0,0,0|2,0,0]=4 8312 B13R1.369 CCCCOc1cnc(cc1C)Cl 7a_100000692680_100000210211 [1,1,0,0,0,0|2,0,0]=4 8313 B13R1.369 CCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000210210 [1,1,0,0,0,0|2,0,0]=4 8314 B13R1.369 CCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210211 [1,1,0,0,0,0|2,0,0]=4 8315 B13R1.369 CCCCOc1cnc(cc1I)Cl 34a_100000698892_100000210210 [1,1,0,0,0,0|2,0,0]=4 8316 B13R1.369 CCCCOc1cnc(cc1I)Cl 7a_100000698892_100000210211 [1,1,0,0,0,0|2,0,0]=4 8317 B13R1.369 CCCCOc1ncc(cc1F)Cl 34a_100011998252_100000210210 [1,1,0,0,0,0|2,0,0]=4 8318 B13R1.369 CCCCOc1ncc(cc1N)Cl 34a_100011998249_100000210210 [1,1,0,0,0,0|2,0,0]=4 8319 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100000210211_100011219703 [1,1,0,0,0,0|1,1,0]=4 8320 B13R1.369 CCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210210 [1,1,0,0,0,0|1,1,0]=4 8321 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100000210211_100011219607 [1,1,0,0,0,0|1,1,0]=4 8322 B13R1.369 CCCCSc1ccc(cc1C)Cl 62a_100011219607_100000210210 [1,1,0,0,0,0|1,1,0]=4 8323 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000210211_100000699841 [1,1,0,0,0,0|1,1,0]=4 8324 B13R1.369 CCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210210 [1,1,0,0,0,0|1,1,0]=4 8325 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100000210211_100011216042 [1,1,0,0,0,0|1,1,0]=4 8326 B13R1.369 CCCCSc1ccc(cc1F)Cl 62a_100011216042_100000210210 [1,1,0,0,0,0|1,1,0]=4 8327 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000210211_100000761886 [1,1,0,0,0,0|1,1,0]=4 8328 B13R1.369 CCCCSc1ccc(cc1N)Cl 62a_100000761886_100000210210 [1,1,0,0,0,0|1,1,0]=4 8329 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000050036_100000210210 [1,1,0,0,0,0|1,1,0]=4 8330 B13R1.369 CCCCSc1ccc(cc1O)Cl 62a_100000210211_100000050036 [1,1,0,0,0,0|1,1,0]=4 8331 B13R1.369 CNCCOc1ccc(cc1Br)Cl 2230a_106832991635_100000199037 [1,1,0,0,0,0|2,0,0]=4 8332 B13R1.369 CNCCOc1ccc(cc1Br)Cl 34a_100102657272_100000199037 [1,1,0,0,0,0|2,0,0]=4 8333 B13R1.369 CNCCOc1ccc(cc1Br)Cl 7a_106832991635_100000199037 [1,1,0,0,0,0|2,0,0]=4 8334 B13R1.369 CNCCOc1ccc(cc1C)Cl 2230a_100025744827_200000210301 [1,1,0,0,0,0|2,0,0]=4 8335 B13R1.369 CNCCOc1ccc(cc1C)Cl 34a_100025744827_200000210301 [1,1,0,0,0,0|2,0,0]=4 8336 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 2230a_106832991635_100000184432 [1,1,0,0,0,0|2,0,0]=4 8337 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 34a_100102657272_100000184432 [1,1,0,0,0,0|2,0,0]=4 8338 B13R1.369 CNCCOc1ccc(cc1Cl)Cl 7a_106832991635_100000184432 [1,1,0,0,0,0|2,0,0]=4 8339 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100000193638_200000210301 [1,1,0,0,0,0|2,0,0]=4 8340 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100000211998_100011201679 [1,1,0,0,0,0|2,0,0]=4 8341 B13R1.369 COCCOc1ccc(cc1Br)Cl 34a_100138415774_100000199037 [1,1,0,0,0,0|2,0,0]=4 8342 B13R1.369 COCCOc1ccc(cc1Br)Cl 7a_100000193638_200000210301 [1,1,0,0,0,0|2,0,0]=4 8343 B13R1.369 COCCOc1ccc(cc1Br)Cl 7a_100000211998_100000233755 [1,1,0,0,0,0|2,0,0]=4 8344 B13R1.369 COCCOc1ccc(cc1C)Cl 34a_100000211091_100011201679 [1,1,0,0,0,0|2,0,0]=4 8345 B13R1.369 COCCOc1ccc(cc1C)Cl 7a_100000211091_100000233755 [1,1,0,0,0,0|2,0,0]=4 8346 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011201679 [1,1,0,0,0,0|2,0,0]=4 8347 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_100138415774_100000184432 [1,1,0,0,0,0|2,0,0]=4 8348 B13R1.369 COCCOc1ccc(cc1Cl)Cl 34a_200000205304_200000210301 [1,1,0,0,0,0|2,0,0]=4 8349 B13R1.369 COCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000233755 [1,1,0,0,0,0|2,0,0]=4 8350 B13R1.369 COCCOc1ccc(cc1Cl)Cl 7a_200000205304_200000210301 [1,1,0,0,0,0|2,0,0]=4 8351 B13R1.369 COCCOc1ccc(cc1F)Cl 34a_100000230166_100011201679 [1,1,0,0,0,0|2,0,0]=4 8352 B13R1.369 COCCOc1ccc(cc1F)Cl 7a_100000230166_100000233755 [1,1,0,0,0,0|2,0,0]=4 8353 B13R1.369 COCCOc1ccc(cc1I)Cl 34a_100011356953_100011201679 [1,1,0,0,0,0|2,0,0]=4 8354 B13R1.369 COCCOc1ccc(cc1I)Cl 7a_100011356953_100000233755 [1,1,0,0,0,0|2,0,0]=4 8355 B13R1.369 COCCOc1ccc(cc1N)Cl 34a_100000210500_100011201679 [1,1,0,0,0,0|2,0,0]=4 8356 B13R1.369 COCCOc1ccc(cc1N)Cl 7a_100000210500_100000233755 [1,1,0,0,0,0|2,0,0]=4 8357 B13R1.369 CSCCOc1ccc(cc1Br)Cl 34a_100000211998_100000212216 [1,1,0,0,0,0|2,0,0]=4 8358 B13R1.369 CSCCOc1ccc(cc1Br)Cl 62a_100000199037_200000210301 [1,1,0,0,0,0|2,0,0]=4 8359 B13R1.369 CSCCOc1ccc(cc1Br)Cl 62a_200000210301_100000199037 [1,1,0,0,0,0|2,0,0]=4 8360 B13R1.369 CSCCOc1ccc(cc1Br)Cl 7a_100000211998_100000212216 [1,1,0,0,0,0|2,0,0]=4 8361 B13R1.369 CSCCOc1ccc(cc1C)Cl 34a_100000211091_100000212216 [1,1,0,0,0,0|2,0,0]=4 8362 B13R1.369 CSCCOc1ccc(cc1C)Cl 7a_100000211091_100000212216 [1,1,0,0,0,0|2,0,0]=4 8363 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000212216 [1,1,0,0,0,0|2,0,0]=4 8364 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 62a_100000184432_200000210301 [1,1,0,0,0,0|2,0,0]=4 8365 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 62a_200000210301_100000184432 [1,1,0,0,0,0|2,0,0]=4 8366 B13R1.369 CSCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000212216 [1,1,0,0,0,0|2,0,0]=4 8367 B13R1.369 CSCCOc1ccc(cc1F)Cl 34a_100000230166_100000212216 [1,1,0,0,0,0|2,0,0]=4 8368 B13R1.369 CSCCOc1ccc(cc1F)Cl 7a_100000230166_100000212216 [1,1,0,0,0,0|2,0,0]=4 8369 B13R1.369 CSCCOc1ccc(cc1I)Cl 34a_100011356953_100000212216 [1,1,0,0,0,0|2,0,0]=4 8370 B13R1.369 CSCCOc1ccc(cc1I)Cl 7a_100011356953_100000212216 [1,1,0,0,0,0|2,0,0]=4 8371 B13R1.369 CSCCOc1ccc(cc1N)Cl 34a_100000210500_100000212216 [1,1,0,0,0,0|2,0,0]=4 8372 B13R1.369 CSCCOc1ccc(cc1N)Cl 7a_100000210500_100000212216 [1,1,0,0,0,0|2,0,0]=4 8373 B13R1.369 Cc1cc(=O)c(co1)OCCCO 34a_100000081520_100000230001 [1,1,0,0,0,0|2,0,0]=4 8374 B13R1.369 Cc1cc(c(cn1)OCCCO)Br 34a_100009843476_100000230001 [1,1,0,0,0,0|2,0,0]=4 8375 B13R1.369 Cc1cc(c(cn1)OCCCO)Br 7a_100009843476_100011215043 [1,1,0,0,0,0|2,0,0]=4 8376 B13R1.369 Cc1cc(c(cn1)OCCCO)C 34a_200000068632_100000230001 [1,1,0,0,0,0|2,0,0]=4 8377 B13R1.369 Cc1cc(c(cn1)OCCCO)C 7a_200000068632_100011215043 [1,1,0,0,0,0|2,0,0]=4 8378 B13R1.369 Cc1cc(ccc1CNCCO)Cl 207a_100000210304_100000766358 [1,1,0,0,0,0|2,0,0]=4 8379 B13R1.369 Cc1cc(ccc1CNCCO)Cl 2230a_100016997473_100012361307 [1,1,0,0,0,0|2,0,0]=4 8380 B13R1.369 Cc1cc(ccc1CNCCO)Cl 270004a_100000210304_100000766358 [1,1,0,0,0,0|2,0,0]=4 8381 B13R1.369 Cc1cc(ccc1CNCCO)Cl 34a_100016990907_100012361307 [1,1,0,0,0,0|2,0,0]=4 8382 B13R1.369 Cc1cc(ccc1CNCCO)Cl 34a_103436540063_100000211926 [1,1,0,0,0,0|2,0,0]=4 8383 B13R1.369 Cc1cc(ccc1COCCO)Cl 34a_100000702939_100000211926 [1,1,0,0,0,0|2,0,0]=4 8384 B13R1.369 Cc1cc(ccc1COCCO)Cl 7a_100000702939_100000211926 [1,1,0,0,0,0|2,0,0]=4 8385 B13R1.369 Cc1cc(ccc1CSCCO)Cl 62a_100000211926_100012361307 [1,1,0,0,0,0|2,0,0]=4 8386 B13R1.369 Cc1cc(ccc1CSCCO)Cl 62a_100012361307_100000211926 [1,1,0,0,0,0|2,0,0]=4 8387 B13R1.369 Cc1cc(ccc1NCCCF)Cl 34a_100000210418_100011934791 [1,1,0,0,0,0|2,0,0]=4 8388 B13R1.369 Cc1cc(ccc1NCCCF)Cl 7a_100000210418_100011934791 [1,1,0,0,0,0|2,0,0]=4 8389 B13R1.369 Cc1cc(ccc1NCCCO)Br 34a_100000211769_100000230001 [1,1,0,0,0,0|1,1,0]=4 8390 B13R1.369 Cc1cc(ccc1NCCCO)Br 7a_100000211769_100011215043 [1,1,0,0,0,0|1,1,0]=4 8391 B13R1.369 Cc1cc(ccc1NCCCO)Cl 34a_100000210418_100000230001 [1,1,0,0,0,0|1,0,0]=3 8392 B13R1.369 Cc1cc(ccc1NCCCO)Cl 7a_100000210418_100011215043 [1,1,0,0,0,0|1,0,0]=3 8393 B13R1.369 Cc1cc(ccc1NCCCO)F 34a_100000211637_100000230001 [1,1,0,0,0,0|1,1,0]=4 8394 B13R1.369 Cc1cc(ccc1NCCCO)F 7a_100000211637_100011215043 [1,1,0,0,0,0|1,1,0]=4 8395 B13R1.369 Cc1cc(ccc1NCCCO)I 34a_100000184554_100000230001 [1,1,0,0,0,0|1,1,0]=4 8396 B13R1.369 Cc1cc(ccc1NCCCO)I 7a_100000184554_100011215043 [1,1,0,0,0,0|1,1,0]=4 8397 B13R1.369 Cc1cc(ccc1NCCCO)O 34a_100000756630_100000230001 [1,1,0,0,0,0|2,0,0]=4 8398 B13R1.369 Cc1cc(ccc1OCCC#N)Cl 7a_100000211091_100000184422 [1,1,0,0,0,0|1,0,1]=4 8399 B13R1.369 Cc1cc(ccc1OCCCF)Br 34a_100000186361_100011934791 [1,1,0,0,0,0|1,1,0]=4 8400 B13R1.369 Cc1cc(ccc1OCCCF)Br 7a_100000186361_100011934791 [1,1,0,0,0,0|1,1,0]=4 8401 B13R1.369 Cc1cc(ccc1OCCCF)Cl 34a_100000211091_100011934791 [1,1,0,0,0,0|1,0,0]=3 8402 B13R1.369 Cc1cc(ccc1OCCCF)Cl 7a_100000211091_100011934791 [1,1,0,0,0,0|1,0,0]=3 8403 B13R1.369 Cc1cc(ccc1OCCCF)F 34a_100000764316_100011934791 [1,1,0,0,0,0|1,1,0]=4 8404 B13R1.369 Cc1cc(ccc1OCCCF)F 7a_100000764316_100011934791 [1,1,0,0,0,0|1,1,0]=4 8405 B13R1.369 Cc1cc(ccc1OCCCF)I 34a_100011218673_100011934791 [1,1,0,0,0,0|1,1,0]=4 8406 B13R1.369 Cc1cc(ccc1OCCCF)I 7a_100011218673_100011934791 [1,1,0,0,0,0|1,1,0]=4 8407 B13R1.369 Cc1cc(ccc1OCCCF)N 34a_100011218179_100011934791 [1,1,0,0,0,0|2,0,0]=4 8408 B13R1.369 Cc1cc(ccc1OCCCF)N 7a_100011218179_100011934791 [1,1,0,0,0,0|2,0,0]=4 8409 B13R1.369 Cc1cc(ccc1OCCCO)Br 34a_100000186361_100000230001 [1,1,0,0,0,0|0,1,0]=3 8410 B13R1.369 Cc1cc(ccc1OCCCO)Br 7a_100000186361_100011215043 [1,1,0,0,0,0|0,1,0]=3 8411 B13R1.369 Cc1cc(ccc1OCCCO)Cl 34a_100000211091_100000230001 [1,1,0,0,0,0|0,0,0]=2 8412 B13R1.369 Cc1cc(ccc1OCCCO)Cl 7a_100000211091_100011215043 [1,1,0,0,0,0|0,0,0]=2 8413 B13R1.369 Cc1cc(ccc1OCCCO)F 34a_100000764316_100000230001 [1,1,0,0,0,0|0,1,0]=3 8414 B13R1.369 Cc1cc(ccc1OCCCO)F 7a_100000764316_100011215043 [1,1,0,0,0,0|0,1,0]=3 8415 B13R1.369 Cc1cc(ccc1OCCCO)I 34a_100011218673_100000230001 [1,1,0,0,0,0|0,1,0]=3 8416 B13R1.369 Cc1cc(ccc1OCCCO)I 7a_100011218673_100011215043 [1,1,0,0,0,0|0,1,0]=3 8417 B13R1.369 Cc1cc(ccc1OCCCO)N 34a_100011218179_100000230001 [1,1,0,0,0,0|1,0,0]=3 8418 B13R1.369 Cc1cc(ccc1OCCCO)N 7a_100011218179_100011215043 [1,1,0,0,0,0|1,0,0]=3 8419 B13R1.369 Cc1cc(ccc1OCCN[13CH3])Cl 2230a_100025744827_200025704644 [1,1,0,0,0,0|2,0,0]=4 8420 B13R1.369 Cc1cc(ccc1OCCN[13CH3])Cl 34a_100025744827_200025704644 [1,1,0,0,0,0|2,0,0]=4 8421 B13R1.369 Cc1cc(ccc1SCCCF)Cl 62a_100011219607_100011934791 [1,1,0,0,0,0|1,1,0]=4 8422 B13R1.369 Cc1cc(ccc1SCCCF)Cl 62a_100011934791_100011219607 [1,1,0,0,0,0|1,1,0]=4 8423 B13R1.369 Cc1cc(ccc1SCCCO)Br 62a_100000701812_100011215043 [1,1,0,0,0,0|0,2,0]=4 8424 B13R1.369 Cc1cc(ccc1SCCCO)Br 62a_100011215043_100000701812 [1,1,0,0,0,0|0,2,0]=4 8425 B13R1.369 Cc1cc(ccc1SCCCO)Cl 62a_100011215043_100011219607 [1,1,0,0,0,0|0,1,0]=3 8426 B13R1.369 Cc1cc(ccc1SCCCO)Cl 62a_100011219607_100011215043 [1,1,0,0,0,0|0,1,0]=3 8427 B13R1.369 Cc1cc(ccc1SCCCO)F 62a_100011205405_100011215043 [1,1,0,0,0,0|0,2,0]=4 8428 B13R1.369 Cc1cc(ccc1SCCCO)F 62a_100011215043_100011205405 [1,1,0,0,0,0|0,2,0]=4 8429 B13R1.369 Cc1cc(ccc1SCCCO)N 62a_100000210723_100011215043 [1,1,0,0,0,0|1,1,0]=4 8430 B13R1.369 Cc1cc(ccc1SCCCO)N 62a_100011215043_100000210723 [1,1,0,0,0,0|1,1,0]=4 8431 B13R1.369 Cc1cc(ccc1SCCCO)O 62a_100011215043_100000690111 [1,1,0,0,0,0|1,1,0]=4 8432 B13R1.369 Cc1cc(cnc1OCCCO)Br 34a_100000685391_100000230001 [1,1,0,0,0,0|1,1,0]=4 8433 B13R1.369 Cc1cc(ncc1OCCCF)Cl 34a_100000692680_100011934791 [1,1,0,0,0,0|2,0,0]=4 8434 B13R1.369 Cc1cc(ncc1OCCCF)Cl 7a_100000692680_100011934791 [1,1,0,0,0,0|2,0,0]=4 8435 B13R1.369 Cc1cc(ncc1OCCCO)Cl 34a_100000692680_100000230001 [1,1,0,0,0,0|1,0,0]=3 8436 B13R1.369 Cc1cc(ncc1OCCCO)Cl 7a_100000692680_100011215043 [1,1,0,0,0,0|1,0,0]=3 8437 B13R1.369 Cc1cc(ncc1OCCCO)F 34a_100009856773_100000230001 [1,1,0,0,0,0|1,1,0]=4 8438 B13R1.369 Cc1cc(ncc1OCCCO)F 7a_100009856773_100011215043 [1,1,0,0,0,0|1,1,0]=4 8439 B13R1.369 Cc1cc(ncc1SCCCO)Cl 62a_100010172789_100011215043 [1,1,0,0,0,0|1,1,0]=4 8440 B13R1.369 Cc1cc(ncc1SCCCO)Cl 62a_100011215043_100010172789 [1,1,0,0,0,0|1,1,0]=4 8441 B13R1.369 Cc1ccc(c(c1)Br)NCCCO 34a_100000210942_100000230001 [1,1,0,0,0,0|2,0,0]=4 8442 B13R1.369 Cc1ccc(c(c1)Br)OCCCF 34a_100000210800_100011934791 [1,1,0,0,0,0|2,0,0]=4 8443 B13R1.369 Cc1ccc(c(c1)Br)OCCCF 7a_100000210800_100011934791 [1,1,0,0,0,0|2,0,0]=4 8444 B13R1.369 Cc1ccc(c(c1)Br)OCCCO 34a_100000210800_100000230001 [1,1,0,0,0,0|1,0,0]=3 8445 B13R1.369 Cc1ccc(c(c1)Br)OCCCO 7a_100000210800_100011215043 [1,1,0,0,0,0|1,0,0]=3 8446 B13R1.369 Cc1ccc(c(c1)Br)SCCCO 62a_100009813563_100011215043 [1,1,0,0,0,0|1,1,0]=4 8447 B13R1.369 Cc1ccc(c(c1)Br)SCCCO 62a_100011215043_100009813563 [1,1,0,0,0,0|1,1,0]=4 8448 B13R1.369 Cc1ccc(c(c1)C)NCCCO 34a_100000736561_100000230001 [1,1,0,0,0,0|2,0,0]=4 8449 B13R1.369 Cc1ccc(c(c1)C)NCCCO 7a_100000736561_100011215043 [1,1,0,0,0,0|2,0,0]=4 8450 B13R1.369 Cc1ccc(c(c1)C)OCCCF 34a_100000211776_100011934791 [1,1,0,0,0,0|2,0,0]=4 8451 B13R1.369 Cc1ccc(c(c1)C)OCCCF 7a_100000211776_100011934791 [1,1,0,0,0,0|2,0,0]=4 8452 B13R1.369 Cc1ccc(c(c1)C)OCCCO 34a_100000211776_100000230001 [1,1,0,0,0,0|1,0,0]=3 8453 B13R1.369 Cc1ccc(c(c1)C)OCCCO 7a_100000211776_100011215043 [1,1,0,0,0,0|1,0,0]=3 8454 B13R1.369 Cc1ccc(c(c1)C)SCCCO 62a_100011215043_100011217332 [1,1,0,0,0,0|1,1,0]=4 8455 B13R1.369 Cc1ccc(c(c1)C)SCCCO 62a_100011217332_100011215043 [1,1,0,0,0,0|1,1,0]=4 8456 B13R1.369 Cc1ccc(c(c1)Cl)NCCCO 34a_100000210522_100000230001 [1,1,0,0,0,0|2,0,0]=4 8457 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 34a_100000749699_100011934791 [1,1,0,0,0,0|2,0,0]=4 8458 B13R1.369 Cc1ccc(c(c1)Cl)OCCCF 7a_100000749699_100011934791 [1,1,0,0,0,0|2,0,0]=4 8459 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 34a_100000749699_100000230001 [1,1,0,0,0,0|1,0,0]=3 8460 B13R1.369 Cc1ccc(c(c1)Cl)OCCCO 7a_100000749699_100011215043 [1,1,0,0,0,0|1,0,0]=3 8461 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100011263221 [1,1,0,0,0,0|1,1,0]=4 8462 B13R1.369 Cc1ccc(c(c1)Cl)SCCCO 62a_100011263221_100011215043 [1,1,0,0,0,0|1,1,0]=4 8463 B13R1.369 Cc1ccc(c(c1)F)NCCCO 34a_100000211023_100000230001 [1,1,0,0,0,0|2,0,0]=4 8464 B13R1.369 Cc1ccc(c(c1)F)OCCCF 34a_100011216688_100011934791 [1,1,0,0,0,0|2,0,0]=4 8465 B13R1.369 Cc1ccc(c(c1)F)OCCCF 7a_100011216688_100011934791 [1,1,0,0,0,0|2,0,0]=4 8466 B13R1.369 Cc1ccc(c(c1)F)OCCCO 34a_100011216688_100000230001 [1,1,0,0,0,0|1,0,0]=3 8467 B13R1.369 Cc1ccc(c(c1)F)OCCCO 7a_100011216688_100011215043 [1,1,0,0,0,0|1,0,0]=3 8468 B13R1.369 Cc1ccc(c(c1)F)SCCCO 62a_100011215043_100011216119 [1,1,0,0,0,0|1,1,0]=4 8469 B13R1.369 Cc1ccc(c(c1)F)SCCCO 62a_100011216119_100011215043 [1,1,0,0,0,0|1,1,0]=4 8470 B13R1.369 Cc1ccc(c(c1)I)NCCCO 34a_100011356834_100000230001 [1,1,0,0,0,0|2,0,0]=4 8471 B13R1.369 Cc1ccc(c(c1)I)OCCCF 34a_100000765521_100011934791 [1,1,0,0,0,0|2,0,0]=4 8472 B13R1.369 Cc1ccc(c(c1)I)OCCCF 7a_100000765521_100011934791 [1,1,0,0,0,0|2,0,0]=4 8473 B13R1.369 Cc1ccc(c(c1)I)OCCCO 34a_100000765521_100000230001 [1,1,0,0,0,0|1,0,0]=3 8474 B13R1.369 Cc1ccc(c(c1)I)OCCCO 7a_100000765521_100011215043 [1,1,0,0,0,0|1,0,0]=3 8475 B13R1.369 Cc1ccc(c(c1)N)OCCCF 34a_100011215204_100011934791 [1,1,0,0,0,0|2,0,0]=4 8476 B13R1.369 Cc1ccc(c(c1)N)OCCCF 7a_100011215204_100011934791 [1,1,0,0,0,0|2,0,0]=4 8477 B13R1.369 Cc1ccc(c(c1)N)OCCCO 34a_100011215204_100000230001 [1,1,0,0,0,0|1,0,0]=3 8478 B13R1.369 Cc1ccc(c(c1)N)OCCCO 7a_100011215204_100011215043 [1,1,0,0,0,0|1,0,0]=3 8479 B13R1.369 Cc1ccc(c(c1)N)SCCCO 62a_100011215043_100011216686 [1,1,0,0,0,0|1,1,0]=4 8480 B13R1.369 Cc1ccc(c(c1)N)SCCCO 62a_100011216686_100011215043 [1,1,0,0,0,0|1,1,0]=4 8481 B13R1.369 Cc1ccc(c(c1)O)NCCCO 34a_100000211527_100000230001 [1,1,0,0,0,0|2,0,0]=4 8482 B13R1.369 Cc1ccc(c(c1)O)SCCCO 62a_100011215043_100012002257 [1,1,0,0,0,0|1,1,0]=4 8483 B13R1.369 Cc1ccc(c(c1)O)SCCCO 62a_100012002257_100011215043 [1,1,0,0,0,0|1,1,0]=4 8484 B13R1.369 Cc1ccc(c(n1)Br)OCCCO 34a_100000702858_100000230001 [1,1,0,0,0,0|2,0,0]=4 8485 B13R1.369 Cc1ccc(c(n1)Br)OCCCO 7a_100000702858_100011215043 [1,1,0,0,0,0|2,0,0]=4 8486 B13R1.369 Cc1ccc(c(n1)C)OCCCO 34a_100011218912_100000230001 [1,1,0,0,0,0|2,0,0]=4 8487 B13R1.369 Cc1ccc(c(n1)C)OCCCO 7a_100011218912_100011215043 [1,1,0,0,0,0|2,0,0]=4 8488 B13R1.369 Cc1ccc(c(n1)Cl)OCCCO 34a_100000086286_100000230001 [1,1,0,0,0,0|2,0,0]=4 8489 B13R1.369 Cc1ccc(c(n1)Cl)OCCCO 7a_100000086286_100011215043 [1,1,0,0,0,0|2,0,0]=4 8490 B13R1.369 Cc1ccc(c(n1)F)OCCCO 34a_100000079963_100000230001 [1,1,0,0,0,0|2,0,0]=4 8491 B13R1.369 Cc1ccc(c(n1)F)OCCCO 7a_100000079963_100011215043 [1,1,0,0,0,0|2,0,0]=4 8492 B13R1.369 Cc1ccc(c(n1)I)OCCCO 34a_100000023897_100000230001 [1,1,0,0,0,0|2,0,0]=4 8493 B13R1.369 Cc1ccc(c(n1)I)OCCCO 7a_100000023897_100011215043 [1,1,0,0,0,0|2,0,0]=4 8494 B13R1.369 Cc1ccc(c(n1)N)OCCCO 34a_100000694039_100000230001 [1,1,0,0,0,0|2,0,0]=4 8495 B13R1.369 Cc1ccc(c(n1)N)OCCCO 7a_100000694039_100011215043 [1,1,0,0,0,0|2,0,0]=4 8496 B13R1.369 Cc1cnc(c(c1)Br)OCCCO 34a_100000719714_100000230001 [1,1,0,0,0,0|2,0,0]=4 8497 B13R1.369 Cc1cnc(c(c1)N)OCCCO 34a_100012000488_100000230001 [1,1,0,0,0,0|2,0,0]=4 8498 B13R1.369 Cc1nc(ccc1OCCCF)Cl 34a_100012184626_100011934791 [1,1,0,0,0,0|2,0,0]=4 8499 B13R1.369 Cc1nc(ccc1OCCCF)Cl 7a_100012184626_100011934791 [1,1,0,0,0,0|2,0,0]=4 8500 B13R1.369 Cc1nc(ccc1OCCCO)Br 34a_100012002022_100000230001 [1,1,0,0,0,0|1,1,0]=4 8501 B13R1.369 Cc1nc(ccc1OCCCO)Br 7a_100012002022_100011215043 [1,1,0,0,0,0|1,1,0]=4 8502 B13R1.369 Cc1nc(ccc1OCCCO)Cl 34a_100012184626_100000230001 [1,1,0,0,0,0|1,0,0]=3 8503 B13R1.369 Cc1nc(ccc1OCCCO)Cl 7a_100012184626_100011215043 [1,1,0,0,0,0|1,0,0]=3 8504 B13R1.369 Cc1nc(ccc1OCCCO)F 34a_100009881036_100000230001 [1,1,0,0,0,0|1,1,0]=4 8505 B13R1.369 Cc1nc(ccc1OCCCO)F 7a_100009881036_100011215043 [1,1,0,0,0,0|1,1,0]=4 8506 B13R1.369 Cc1nc(ccc1OCCCO)I 34a_100010233687_100000230001 [1,1,0,0,0,0|1,1,0]=4 8507 B13R1.369 Cc1nc(ccc1OCCCO)I 7a_100010233687_100011215043 [1,1,0,0,0,0|1,1,0]=4 8508 B13R1.369 Cc1nc(ccc1SCCCO)Cl 62a_100000062408_100011215043 [1,1,0,0,0,0|1,1,0]=4 8509 B13R1.369 Cc1nc(ccc1SCCCO)Cl 62a_100011215043_100000062408 [1,1,0,0,0,0|1,1,0]=4 8510 B13R1.369 FCCCNc1ccc(cc1Br)Cl 34a_100000752454_100011934791 [1,1,0,0,0,0|2,0,0]=4 8511 B13R1.369 FCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011934791 [1,1,0,0,0,0|2,0,0]=4 8512 B13R1.369 FCCCNc1ccc(cc1F)Cl 34a_100000211020_100011934791 [1,1,0,0,0,0|2,0,0]=4 8513 B13R1.369 FCCCNc1ccc(cc1I)Cl 34a_100000761889_100011934791 [1,1,0,0,0,0|2,0,0]=4 8514 B13R1.369 FCCCOc1ccc(cc1Br)Br 34a_100000188717_100011934791 [1,1,0,0,0,0|1,1,0]=4 8515 B13R1.369 FCCCOc1ccc(cc1Br)Br 7a_100000188717_100011934791 [1,1,0,0,0,0|1,1,0]=4 8516 B13R1.369 FCCCOc1ccc(cc1Br)Cl 34a_100000211998_100011934791 [1,1,0,0,0,0|1,0,0]=3 8517 B13R1.369 FCCCOc1ccc(cc1Br)Cl 7a_100000211998_100011934791 [1,1,0,0,0,0|1,0,0]=3 8518 B13R1.369 FCCCOc1ccc(cc1Br)F 34a_100000211999_100011934791 [1,1,0,0,0,0|1,1,0]=4 8519 B13R1.369 FCCCOc1ccc(cc1Br)F 7a_100000211999_100011934791 [1,1,0,0,0,0|1,1,0]=4 8520 B13R1.369 FCCCOc1ccc(cc1Br)I 34a_100012361655_100011934791 [1,1,0,0,0,0|1,1,0]=4 8521 B13R1.369 FCCCOc1ccc(cc1Br)I 7a_100012361655_100011934791 [1,1,0,0,0,0|1,1,0]=4 8522 B13R1.369 FCCCOc1ccc(cc1Cl)Br 34a_100000186472_100011934791 [1,1,0,0,0,0|1,1,0]=4 8523 B13R1.369 FCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011934791 [1,1,0,0,0,0|1,1,0]=4 8524 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011934791 [1,1,0,0,0,0|1,0,0]=3 8525 B13R1.369 FCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011934791 [1,1,0,0,0,0|1,0,0]=3 8526 B13R1.369 FCCCOc1ccc(cc1Cl)F 34a_100000212004_100011934791 [1,1,0,0,0,0|1,1,0]=4 8527 B13R1.369 FCCCOc1ccc(cc1Cl)F 7a_100000212004_100011934791 [1,1,0,0,0,0|1,1,0]=4 8528 B13R1.369 FCCCOc1ccc(cc1Cl)I 34a_100012360047_100011934791 [1,1,0,0,0,0|1,1,0]=4 8529 B13R1.369 FCCCOc1ccc(cc1Cl)I 7a_100012360047_100011934791 [1,1,0,0,0,0|1,1,0]=4 8530 B13R1.369 FCCCOc1ccc(cc1F)Br 34a_100000185481_100011934791 [1,1,0,0,0,0|1,1,0]=4 8531 B13R1.369 FCCCOc1ccc(cc1F)Br 7a_100000185481_100011934791 [1,1,0,0,0,0|1,1,0]=4 8532 B13R1.369 FCCCOc1ccc(cc1F)Cl 34a_100000230166_100011934791 [1,1,0,0,0,0|1,0,0]=3 8533 B13R1.369 FCCCOc1ccc(cc1F)Cl 7a_100000230166_100011934791 [1,1,0,0,0,0|1,0,0]=3 8534 B13R1.369 FCCCOc1ccc(cc1F)F 34a_100000230127_100011934791 [1,1,0,0,0,0|1,1,0]=4 8535 B13R1.369 FCCCOc1ccc(cc1F)F 7a_100000230127_100011934791 [1,1,0,0,0,0|1,1,0]=4 8536 B13R1.369 FCCCOc1ccc(cc1F)I 34a_100011356965_100011934791 [1,1,0,0,0,0|1,1,0]=4 8537 B13R1.369 FCCCOc1ccc(cc1F)I 7a_100011356965_100011934791 [1,1,0,0,0,0|1,1,0]=4 8538 B13R1.369 FCCCOc1ccc(cc1I)Br 34a_100012355227_100011934791 [1,1,0,0,0,0|1,1,0]=4 8539 B13R1.369 FCCCOc1ccc(cc1I)Br 7a_100012355227_100011934791 [1,1,0,0,0,0|1,1,0]=4 8540 B13R1.369 FCCCOc1ccc(cc1I)Cl 34a_100011356953_100011934791 [1,1,0,0,0,0|1,0,0]=3 8541 B13R1.369 FCCCOc1ccc(cc1I)Cl 7a_100011356953_100011934791 [1,1,0,0,0,0|1,0,0]=3 8542 B13R1.369 FCCCOc1ccc(cc1I)F 34a_100012355409_100011934791 [1,1,0,0,0,0|1,1,0]=4 8543 B13R1.369 FCCCOc1ccc(cc1I)F 7a_100012355409_100011934791 [1,1,0,0,0,0|1,1,0]=4 8544 B13R1.369 FCCCOc1ccc(cc1I)I 7a_100010001573_100011934791 [1,1,0,0,0,0|1,1,0]=4 8545 B13R1.369 FCCCOc1ccc(nc1Br)Cl 34a_100010219353_100011934791 [1,1,0,0,0,0|2,0,0]=4 8546 B13R1.369 FCCCOc1ccc(nc1Br)Cl 7a_100010219353_100011934791 [1,1,0,0,0,0|2,0,0]=4 8547 B13R1.369 FCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100011934791 [1,1,0,0,0,0|2,0,0]=4 8548 B13R1.369 FCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100011934791 [1,1,0,0,0,0|2,0,0]=4 8549 B13R1.369 FCCCOc1ccc(nc1F)Cl 34a_100009880201_100011934791 [1,1,0,0,0,0|2,0,0]=4 8550 B13R1.369 FCCCOc1ccc(nc1F)Cl 7a_100009880201_100011934791 [1,1,0,0,0,0|2,0,0]=4 8551 B13R1.369 FCCCOc1ccc(nc1I)Cl 34a_100000696390_100011934791 [1,1,0,0,0,0|2,0,0]=4 8552 B13R1.369 FCCCOc1ccc(nc1I)Cl 7a_100000696390_100011934791 [1,1,0,0,0,0|2,0,0]=4 8553 B13R1.369 FCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100011934791 [1,1,0,0,0,0|2,0,0]=4 8554 B13R1.369 FCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100011934791 [1,1,0,0,0,0|2,0,0]=4 8555 B13R1.369 FCCCOc1cnc(cc1I)Cl 34a_100000698892_100011934791 [1,1,0,0,0,0|2,0,0]=4 8556 B13R1.369 FCCCOc1cnc(cc1I)Cl 7a_100000698892_100011934791 [1,1,0,0,0,0|2,0,0]=4 8557 B13R1.369 FCCCOc1ncc(cc1F)Cl 34a_100011998252_100011934791 [1,1,0,0,0,0|2,0,0]=4 8558 B13R1.369 FCCCSc1ccc(cc1Br)Cl 62a_100011219703_100011934791 [1,1,0,0,0,0|1,1,0]=4 8559 B13R1.369 FCCCSc1ccc(cc1Br)Cl 62a_100011934791_100011219703 [1,1,0,0,0,0|1,1,0]=4 8560 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011934791 [1,1,0,0,0,0|1,1,0]=4 8561 B13R1.369 FCCCSc1ccc(cc1Cl)Cl 62a_100011934791_100000699841 [1,1,0,0,0,0|1,1,0]=4 8562 B13R1.369 FCCCSc1ccc(cc1F)Cl 62a_100011216042_100011934791 [1,1,0,0,0,0|1,1,0]=4 8563 B13R1.369 FCCCSc1ccc(cc1F)Cl 62a_100011934791_100011216042 [1,1,0,0,0,0|1,1,0]=4 8564 B13R1.369 N#CCCOc1ccc(cc1Br)Cl 7a_100000211998_100000184422 [1,1,0,0,0,0|1,0,1]=4 8565 B13R1.369 N#CCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000184422 [1,1,0,0,0,0|1,0,1]=4 8566 B13R1.369 N#CCCOc1ccc(cc1F)Cl 7a_100000230166_100000184422 [1,1,0,0,0,0|1,0,1]=4 8567 B13R1.369 N#CCCOc1ccc(cc1I)Cl 7a_100011356953_100000184422 [1,1,0,0,0,0|1,0,1]=4 8568 B13R1.369 N#CCCOc1ccc(cc1N)Cl 7a_100000210500_100000184422 [1,1,0,0,0,0|1,0,1]=4 8569 B13R1.369 Nc1cc(ccc1COCCO)Cl 34a_100000238622_100000211926 [1,1,0,0,0,0|2,0,0]=4 8570 B13R1.369 Nc1cc(ccc1COCCO)Cl 7a_100000238622_100000211926 [1,1,0,0,0,0|2,0,0]=4 8571 B13R1.369 Nc1cc(ccc1OCCCF)Br 34a_100000752626_100011934791 [1,1,0,0,0,0|1,1,0]=4 8572 B13R1.369 Nc1cc(ccc1OCCCF)Br 7a_100000752626_100011934791 [1,1,0,0,0,0|1,1,0]=4 8573 B13R1.369 Nc1cc(ccc1OCCCF)Cl 34a_100000210500_100011934791 [1,1,0,0,0,0|1,0,0]=3 8574 B13R1.369 Nc1cc(ccc1OCCCF)Cl 7a_100000210500_100011934791 [1,1,0,0,0,0|1,0,0]=3 8575 B13R1.369 Nc1cc(ccc1OCCCF)F 34a_100000759472_100011934791 [1,1,0,0,0,0|1,1,0]=4 8576 B13R1.369 Nc1cc(ccc1OCCCF)F 7a_100000759472_100011934791 [1,1,0,0,0,0|1,1,0]=4 8577 B13R1.369 Nc1cc(ccc1OCCCF)I 34a_100000753495_100011934791 [1,1,0,0,0,0|1,1,0]=4 8578 B13R1.369 Nc1cc(ccc1OCCCF)I 7a_100000753495_100011934791 [1,1,0,0,0,0|1,1,0]=4 8579 B13R1.369 Nc1cc(ccc1OCCCO)Br 34a_100000752626_100000230001 [1,1,0,0,0,0|0,1,0]=3 8580 B13R1.369 Nc1cc(ccc1OCCCO)Br 7a_100000752626_100011215043 [1,1,0,0,0,0|0,1,0]=3 8581 B13R1.369 Nc1cc(ccc1OCCCO)Cl 34a_100000210500_100000230001 [1,1,0,0,0,0|0,0,0]=2 8582 B13R1.369 Nc1cc(ccc1OCCCO)Cl 7a_100000210500_100011215043 [1,1,0,0,0,0|0,0,0]=2 8583 B13R1.369 Nc1cc(ccc1OCCCO)F 34a_100000759472_100000230001 [1,1,0,0,0,0|0,1,0]=3 8584 B13R1.369 Nc1cc(ccc1OCCCO)F 7a_100000759472_100011215043 [1,1,0,0,0,0|0,1,0]=3 8585 B13R1.369 Nc1cc(ccc1OCCCO)I 34a_100000753495_100000230001 [1,1,0,0,0,0|0,1,0]=3 8586 B13R1.369 Nc1cc(ccc1OCCCO)I 7a_100000753495_100011215043 [1,1,0,0,0,0|0,1,0]=3 8587 B13R1.369 Nc1cc(ccc1SCCCF)Cl 62a_100000761886_100011934791 [1,1,0,0,0,0|1,1,0]=4 8588 B13R1.369 Nc1cc(ccc1SCCCF)Cl 62a_100011934791_100000761886 [1,1,0,0,0,0|1,1,0]=4 8589 B13R1.369 Nc1cc(ccc1SCCCO)Br 62a_100000743836_100011215043 [1,1,0,0,0,0|0,2,0]=4 8590 B13R1.369 Nc1cc(ccc1SCCCO)Br 62a_100011215043_100000743836 [1,1,0,0,0,0|0,2,0]=4 8591 B13R1.369 Nc1cc(ccc1SCCCO)Cl 62a_100000761886_100011215043 [1,1,0,0,0,0|0,1,0]=3 8592 B13R1.369 Nc1cc(ccc1SCCCO)Cl 62a_100011215043_100000761886 [1,1,0,0,0,0|0,1,0]=3 8593 B13R1.369 Nc1cc(ccc1SCCCO)F 62a_100000687223_100011215043 [1,1,0,0,0,0|0,2,0]=4 8594 B13R1.369 Nc1cc(ccc1SCCCO)F 62a_100011215043_100000687223 [1,1,0,0,0,0|0,2,0]=4 8595 B13R1.369 Nc1cc(ccc1SCCCO)O 62a_100011215043_100011999798 [1,1,0,0,0,0|1,1,0]=4 8596 B13R1.369 Nc1cc(ccc1SCCCO)O 62a_100011999798_100011215043 [1,1,0,0,0,0|1,1,0]=4 8597 B13R1.369 Nc1cc(cnc1OCCCF)Cl 34a_100011998249_100011934791 [1,1,0,0,0,0|2,0,0]=4 8598 B13R1.369 Nc1cc(cnc1OCCCO)Br 34a_100000743729_100000230001 [1,1,0,0,0,0|1,1,0]=4 8599 B13R1.369 Nc1cc(cnc1OCCCO)Cl 34a_100011998249_100000230001 [1,1,0,0,0,0|1,0,0]=3 8600 B13R1.369 Nc1cc(ncc1OCCCO)Br 34a_100009819941_100000230001 [1,1,0,0,0,0|1,1,0]=4 8601 B13R1.369 Nc1cc(ncc1OCCCO)Br 7a_100009819941_100011215043 [1,1,0,0,0,0|1,1,0]=4 8602 B13R1.369 Nc1cc(ncc1SCCCO)Cl 62a_100010209552_100011215043 [1,1,0,0,0,0|1,1,0]=4 8603 B13R1.369 Nc1cc(ncc1SCCCO)Cl 62a_100011215043_100010209552 [1,1,0,0,0,0|1,1,0]=4 8604 B13R1.369 Nc1ccc(c(c1)Br)OCCCF 34a_100011534360_100011934791 [1,1,0,0,0,0|2,0,0]=4 8605 B13R1.369 Nc1ccc(c(c1)Br)OCCCF 7a_100011534360_100011934791 [1,1,0,0,0,0|2,0,0]=4 8606 B13R1.369 Nc1ccc(c(c1)Br)OCCCO 34a_100011534360_100000230001 [1,1,0,0,0,0|1,0,0]=3 8607 B13R1.369 Nc1ccc(c(c1)Br)OCCCO 7a_100011534360_100011215043 [1,1,0,0,0,0|1,0,0]=3 8608 B13R1.369 Nc1ccc(c(c1)Br)SCCCO 62a_100000750458_100011215043 [1,1,0,0,0,0|1,1,0]=4 8609 B13R1.369 Nc1ccc(c(c1)Br)SCCCO 62a_100011215043_100000750458 [1,1,0,0,0,0|1,1,0]=4 8610 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 34a_100000744943_100011934791 [1,1,0,0,0,0|2,0,0]=4 8611 B13R1.369 Nc1ccc(c(c1)Cl)OCCCF 7a_100000744943_100011934791 [1,1,0,0,0,0|2,0,0]=4 8612 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 34a_100000744943_100000230001 [1,1,0,0,0,0|1,0,0]=3 8613 B13R1.369 Nc1ccc(c(c1)Cl)OCCCO 7a_100000744943_100011215043 [1,1,0,0,0,0|1,0,0]=3 8614 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100000761885_100011215043 [1,1,0,0,0,0|1,1,0]=4 8615 B13R1.369 Nc1ccc(c(c1)Cl)SCCCO 62a_100011215043_100000761885 [1,1,0,0,0,0|1,1,0]=4 8616 B13R1.369 Nc1ccc(c(c1)F)OCCCF 34a_100011220035_100011934791 [1,1,0,0,0,0|2,0,0]=4 8617 B13R1.369 Nc1ccc(c(c1)F)OCCCF 7a_100011220035_100011934791 [1,1,0,0,0,0|2,0,0]=4 8618 B13R1.369 Nc1ccc(c(c1)F)OCCCO 34a_100011220035_100000230001 [1,1,0,0,0,0|1,0,0]=3 8619 B13R1.369 Nc1ccc(c(c1)F)OCCCO 7a_100011220035_100011215043 [1,1,0,0,0,0|1,0,0]=3 8620 B13R1.369 Nc1ccc(c(c1)F)SCCCO 62a_100011215043_100011356925 [1,1,0,0,0,0|1,1,0]=4 8621 B13R1.369 Nc1ccc(c(c1)F)SCCCO 62a_100011356925_100011215043 [1,1,0,0,0,0|1,1,0]=4 8622 B13R1.369 Nc1ccc(c(c1)N)OCCCF 34a_100000725306_100011934791 [1,1,0,0,0,0|2,0,0]=4 8623 B13R1.369 Nc1ccc(c(c1)N)OCCCO 34a_100000725306_100000230001 [1,1,0,0,0,0|1,0,0]=3 8624 B13R1.369 Nc1ccc(c(c1)N)SCCCO 62a_100011215043_200012175722 [1,1,0,0,0,0|1,1,0]=4 8625 B13R1.369 Nc1ccc(c(c1)N)SCCCO 62a_200012175722_100011215043 [1,1,0,0,0,0|1,1,0]=4 8626 B13R1.369 Nc1nc(ccc1OCCCF)Cl 34a_100000717809_100011934791 [1,1,0,0,0,0|2,0,0]=4 8627 B13R1.369 Nc1nc(ccc1OCCCF)Cl 7a_100000717809_100011934791 [1,1,0,0,0,0|2,0,0]=4 8628 B13R1.369 Nc1nc(ccc1OCCCO)Br 34a_100000685527_100000230001 [1,1,0,0,0,0|1,1,0]=4 8629 B13R1.369 Nc1nc(ccc1OCCCO)Br 7a_100000685527_100011215043 [1,1,0,0,0,0|1,1,0]=4 8630 B13R1.369 Nc1nc(ccc1OCCCO)Cl 34a_100000717809_100000230001 [1,1,0,0,0,0|1,0,0]=3 8631 B13R1.369 Nc1nc(ccc1OCCCO)Cl 7a_100000717809_100011215043 [1,1,0,0,0,0|1,0,0]=3 8632 B13R1.369 Nc1nc(ccc1SCCCO)Cl 62a_100010171640_100011215043 [1,1,0,0,0,0|1,1,0]=4 8633 B13R1.369 Nc1nc(ccc1SCCCO)Cl 62a_100011215043_100010171640 [1,1,0,0,0,0|1,1,0]=4 8634 B13R1.369 OCCCNc1ccc(cc1Br)Br 34a_100000211012_100000230001 [1,1,0,0,0,0|1,1,0]=4 8635 B13R1.369 OCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000230001 [1,1,0,0,0,0|1,0,0]=3 8636 B13R1.369 OCCCNc1ccc(cc1Br)F 34a_100000738039_100000230001 [1,1,0,0,0,0|1,1,0]=4 8637 B13R1.369 OCCCNc1ccc(cc1Br)O 34a_100012001276_100000230001 [1,1,0,0,0,0|2,0,0]=4 8638 B13R1.369 OCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000230001 [1,1,0,0,0,0|1,1,0]=4 8639 B13R1.369 OCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000230001 [1,1,0,0,0,0|1,0,0]=3 8640 B13R1.369 OCCCNc1ccc(cc1Cl)F 34a_100000212003_100000230001 [1,1,0,0,0,0|1,1,0]=4 8641 B13R1.369 OCCCNc1ccc(cc1Cl)I 34a_100011218065_100000230001 [1,1,0,0,0,0|1,1,0]=4 8642 B13R1.369 OCCCNc1ccc(cc1Cl)O 34a_100011215599_100000230001 [1,1,0,0,0,0|2,0,0]=4 8643 B13R1.369 OCCCNc1ccc(cc1F)Br 34a_100000210722_100000230001 [1,1,0,0,0,0|1,1,0]=4 8644 B13R1.369 OCCCNc1ccc(cc1F)Cl 34a_100000211020_100000230001 [1,1,0,0,0,0|1,0,0]=3 8645 B13R1.369 OCCCNc1ccc(cc1F)F 34a_100000210720_100000230001 [1,1,0,0,0,0|1,1,0]=4 8646 B13R1.369 OCCCNc1ccc(cc1F)I 34a_100011215594_100000230001 [1,1,0,0,0,0|1,1,0]=4 8647 B13R1.369 OCCCNc1ccc(cc1F)O 34a_100000759473_100000230001 [1,1,0,0,0,0|2,0,0]=4 8648 B13R1.369 OCCCNc1ccc(cc1I)Br 34a_100000187925_100000230001 [1,1,0,0,0,0|1,1,0]=4 8649 B13R1.369 OCCCNc1ccc(cc1I)Cl 34a_100000761889_100000230001 [1,1,0,0,0,0|1,0,0]=3 8650 B13R1.369 OCCCNc1ccc(cc1I)F 34a_100000760547_100000230001 [1,1,0,0,0,0|1,1,0]=4 8651 B13R1.369 OCCCNc1ccc(cc1I)O 34a_100010084370_100000230001 [1,1,0,0,0,0|2,0,0]=4 8652 B13R1.369 OCCCNc1ccc(cc1O)Br 34a_100000739049_100000230001 [1,1,0,0,0,0|1,1,0]=4 8653 B13R1.369 OCCCNc1ccc(cc1O)Cl 34a_100000185728_100000230001 [1,1,0,0,0,0|1,0,0]=3 8654 B13R1.369 OCCCNc1ccc(cc1O)F 34a_100000753323_100000230001 [1,1,0,0,0,0|1,1,0]=4 8655 B13R1.369 OCCCNc1ccc(cc1O)O 34a_100000106777_100000230001 [1,1,0,0,0,0|2,0,0]=4 8656 B13R1.369 OCCCOc1ccc(cc1Br)Br 34a_100000188717_100000230001 [1,1,0,0,0,0|0,1,0]=3 8657 B13R1.369 OCCCOc1ccc(cc1Br)Br 7a_100000188717_100011215043 [1,1,0,0,0,0|0,1,0]=3 8658 B13R1.369 OCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000230001 [1,1,0,0,0,0|0,0,0]=2 8659 B13R1.369 OCCCOc1ccc(cc1Br)Cl 7a_100000211998_100011215043 [1,1,0,0,0,0|0,0,0]=2 8660 B13R1.369 OCCCOc1ccc(cc1Br)F 34a_100000211999_100000230001 [1,1,0,0,0,0|0,1,0]=3 8661 B13R1.369 OCCCOc1ccc(cc1Br)F 7a_100000211999_100011215043 [1,1,0,0,0,0|0,1,0]=3 8662 B13R1.369 OCCCOc1ccc(cc1Br)I 34a_100012361655_100000230001 [1,1,0,0,0,0|0,1,0]=3 8663 B13R1.369 OCCCOc1ccc(cc1Br)I 7a_100012361655_100011215043 [1,1,0,0,0,0|0,1,0]=3 8664 B13R1.369 OCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000230001 [1,1,0,0,0,0|0,1,0]=3 8665 B13R1.369 OCCCOc1ccc(cc1Cl)Br 7a_100000186472_100011215043 [1,1,0,0,0,0|0,1,0]=3 8666 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000230001 [1,1,0,0,0,0|0,0,0]=2 8667 B13R1.369 OCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100011215043 [1,1,0,0,0,0|0,0,0]=2 8668 B13R1.369 OCCCOc1ccc(cc1Cl)F 34a_100000212004_100000230001 [1,1,0,0,0,0|0,1,0]=3 8669 B13R1.369 OCCCOc1ccc(cc1Cl)F 7a_100000212004_100011215043 [1,1,0,0,0,0|0,1,0]=3 8670 B13R1.369 OCCCOc1ccc(cc1Cl)I 34a_100012360047_100000230001 [1,1,0,0,0,0|0,1,0]=3 8671 B13R1.369 OCCCOc1ccc(cc1Cl)I 7a_100012360047_100011215043 [1,1,0,0,0,0|0,1,0]=3 8672 B13R1.369 OCCCOc1ccc(cc1F)Br 34a_100000185481_100000230001 [1,1,0,0,0,0|0,1,0]=3 8673 B13R1.369 OCCCOc1ccc(cc1F)Br 7a_100000185481_100011215043 [1,1,0,0,0,0|0,1,0]=3 8674 B13R1.369 OCCCOc1ccc(cc1F)Cl 34a_100000230166_100000230001 [1,1,0,0,0,0|0,0,0]=2 8675 B13R1.369 OCCCOc1ccc(cc1F)Cl 7a_100000230166_100011215043 [1,1,0,0,0,0|0,0,0]=2 8676 B13R1.369 OCCCOc1ccc(cc1F)F 34a_100000230127_100000230001 [1,1,0,0,0,0|0,1,0]=3 8677 B13R1.369 OCCCOc1ccc(cc1F)F 7a_100000230127_100011215043 [1,1,0,0,0,0|0,1,0]=3 8678 B13R1.369 OCCCOc1ccc(cc1F)I 34a_100011356965_100000230001 [1,1,0,0,0,0|0,1,0]=3 8679 B13R1.369 OCCCOc1ccc(cc1F)I 7a_100011356965_100011215043 [1,1,0,0,0,0|0,1,0]=3 8680 B13R1.369 OCCCOc1ccc(cc1I)Br 34a_100012355227_100000230001 [1,1,0,0,0,0|0,1,0]=3 8681 B13R1.369 OCCCOc1ccc(cc1I)Br 7a_100012355227_100011215043 [1,1,0,0,0,0|0,1,0]=3 8682 B13R1.369 OCCCOc1ccc(cc1I)Cl 34a_100011356953_100000230001 [1,1,0,0,0,0|0,0,0]=2 8683 B13R1.369 OCCCOc1ccc(cc1I)Cl 7a_100011356953_100011215043 [1,1,0,0,0,0|0,0,0]=2 8684 B13R1.369 OCCCOc1ccc(cc1I)F 34a_100012355409_100000230001 [1,1,0,0,0,0|0,1,0]=3 8685 B13R1.369 OCCCOc1ccc(cc1I)F 7a_100012355409_100011215043 [1,1,0,0,0,0|0,1,0]=3 8686 B13R1.369 OCCCOc1ccc(cc1I)I 7a_100010001573_100011215043 [1,1,0,0,0,0|0,1,0]=3 8687 B13R1.369 OCCCOc1ccc(nc1Br)Br 34a_100009999766_100000230001 [1,1,0,0,0,0|1,1,0]=4 8688 B13R1.369 OCCCOc1ccc(nc1Br)Br 7a_100009999766_100011215043 [1,1,0,0,0,0|1,1,0]=4 8689 B13R1.369 OCCCOc1ccc(nc1Br)Cl 34a_100010219353_100000230001 [1,1,0,0,0,0|1,0,0]=3 8690 B13R1.369 OCCCOc1ccc(nc1Br)Cl 7a_100010219353_100011215043 [1,1,0,0,0,0|1,0,0]=3 8691 B13R1.369 OCCCOc1ccc(nc1Br)F 34a_100009887730_100000230001 [1,1,0,0,0,0|1,1,0]=4 8692 B13R1.369 OCCCOc1ccc(nc1Br)F 7a_100009887730_100011215043 [1,1,0,0,0,0|1,1,0]=4 8693 B13R1.369 OCCCOc1ccc(nc1Br)I 34a_100000725334_100000230001 [1,1,0,0,0,0|1,1,0]=4 8694 B13R1.369 OCCCOc1ccc(nc1Br)I 7a_100000725334_100011215043 [1,1,0,0,0,0|1,1,0]=4 8695 B13R1.369 OCCCOc1ccc(nc1Cl)Br 34a_100010246206_100000230001 [1,1,0,0,0,0|1,1,0]=4 8696 B13R1.369 OCCCOc1ccc(nc1Cl)Br 7a_100010246206_100011215043 [1,1,0,0,0,0|1,1,0]=4 8697 B13R1.369 OCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100000230001 [1,1,0,0,0,0|1,0,0]=3 8698 B13R1.369 OCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100011215043 [1,1,0,0,0,0|1,0,0]=3 8699 B13R1.369 OCCCOc1ccc(nc1Cl)I 34a_100000721234_100000230001 [1,1,0,0,0,0|1,1,0]=4 8700 B13R1.369 OCCCOc1ccc(nc1Cl)I 7a_100000721234_100011215043 [1,1,0,0,0,0|1,1,0]=4 8701 B13R1.369 OCCCOc1ccc(nc1F)Br 34a_100009819667_100000230001 [1,1,0,0,0,0|1,1,0]=4 8702 B13R1.369 OCCCOc1ccc(nc1F)Br 7a_100009819667_100011215043 [1,1,0,0,0,0|1,1,0]=4 8703 B13R1.369 OCCCOc1ccc(nc1F)Cl 34a_100009880201_100000230001 [1,1,0,0,0,0|1,0,0]=3 8704 B13R1.369 OCCCOc1ccc(nc1F)Cl 7a_100009880201_100011215043 [1,1,0,0,0,0|1,0,0]=3 8705 B13R1.369 OCCCOc1ccc(nc1F)F 34a_100000101184_100000230001 [1,1,0,0,0,0|1,1,0]=4 8706 B13R1.369 OCCCOc1ccc(nc1F)F 7a_100000101184_100011215043 [1,1,0,0,0,0|1,1,0]=4 8707 B13R1.369 OCCCOc1ccc(nc1I)Br 34a_100010253912_100000230001 [1,1,0,0,0,0|1,1,0]=4 8708 B13R1.369 OCCCOc1ccc(nc1I)Br 7a_100010253912_100011215043 [1,1,0,0,0,0|1,1,0]=4 8709 B13R1.369 OCCCOc1ccc(nc1I)Cl 34a_100000696390_100000230001 [1,1,0,0,0,0|1,0,0]=3 8710 B13R1.369 OCCCOc1ccc(nc1I)Cl 7a_100000696390_100011215043 [1,1,0,0,0,0|1,0,0]=3 8711 B13R1.369 OCCCOc1ccc(nc1I)F 34a_100010382442_100000230001 [1,1,0,0,0,0|1,1,0]=4 8712 B13R1.369 OCCCOc1ccc(nc1I)F 7a_100010382442_100011215043 [1,1,0,0,0,0|1,1,0]=4 8713 B13R1.369 OCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100000230001 [1,1,0,0,0,0|1,0,0]=3 8714 B13R1.369 OCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100011215043 [1,1,0,0,0,0|1,0,0]=3 8715 B13R1.369 OCCCOc1cnc(cc1F)F 34a_100009885687_100000230001 [1,1,0,0,0,0|1,1,0]=4 8716 B13R1.369 OCCCOc1cnc(cc1F)F 7a_100009885687_100011215043 [1,1,0,0,0,0|1,1,0]=4 8717 B13R1.369 OCCCOc1cnc(cc1I)Cl 34a_100000698892_100000230001 [1,1,0,0,0,0|1,0,0]=3 8718 B13R1.369 OCCCOc1cnc(cc1I)Cl 7a_100000698892_100011215043 [1,1,0,0,0,0|1,0,0]=3 8719 B13R1.369 OCCCOc1cnc(nc1Cl)Cl 34a_100010725077_100000230001 [1,1,0,0,0,0|2,0,0]=4 8720 B13R1.369 OCCCOc1cnc(nc1Cl)Cl 7a_100010725077_100011215043 [1,1,0,0,0,0|2,0,0]=4 8721 B13R1.369 OCCCOc1ncc(cc1Br)Br 34a_100000701035_100000230001 [1,1,0,0,0,0|1,1,0]=4 8722 B13R1.369 OCCCOc1ncc(cc1Cl)Br 34a_100012339560_100000230001 [1,1,0,0,0,0|1,1,0]=4 8723 B13R1.369 OCCCOc1ncc(cc1Cl)F 34a_100009847679_100000230001 [1,1,0,0,0,0|1,1,0]=4 8724 B13R1.369 OCCCOc1ncc(cc1F)Cl 34a_100011998252_100000230001 [1,1,0,0,0,0|1,0,0]=3 8725 B13R1.369 OCCCOc1ncc(cc1F)F 34a_100012025737_100000230001 [1,1,0,0,0,0|1,1,0]=4 8726 B13R1.369 OCCCSc1ccc(cc1Br)Br 62a_100011215043_100011484698 [1,1,0,0,0,0|0,2,0]=4 8727 B13R1.369 OCCCSc1ccc(cc1Br)Br 62a_100011484698_100011215043 [1,1,0,0,0,0|0,2,0]=4 8728 B13R1.369 OCCCSc1ccc(cc1Br)Cl 62a_100011215043_100011219703 [1,1,0,0,0,0|0,1,0]=3 8729 B13R1.369 OCCCSc1ccc(cc1Br)Cl 62a_100011219703_100011215043 [1,1,0,0,0,0|0,1,0]=3 8730 B13R1.369 OCCCSc1ccc(cc1Br)F 62a_100011215043_100011217111 [1,1,0,0,0,0|0,2,0]=4 8731 B13R1.369 OCCCSc1ccc(cc1Br)F 62a_100011217111_100011215043 [1,1,0,0,0,0|0,2,0]=4 8732 B13R1.369 OCCCSc1ccc(cc1Br)O 62a_100000701344_100011215043 [1,1,0,0,0,0|1,1,0]=4 8733 B13R1.369 OCCCSc1ccc(cc1Br)O 62a_100011215043_100000701344 [1,1,0,0,0,0|1,1,0]=4 8734 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011215043_100011216062 [1,1,0,0,0,0|0,2,0]=4 8735 B13R1.369 OCCCSc1ccc(cc1Cl)Br 62a_100011216062_100011215043 [1,1,0,0,0,0|0,2,0]=4 8736 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100011215043 [1,1,0,0,0,0|0,1,0]=3 8737 B13R1.369 OCCCSc1ccc(cc1Cl)Cl 62a_100011215043_100000699841 [1,1,0,0,0,0|0,1,0]=3 8738 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100000733362_100011215043 [1,1,0,0,0,0|0,2,0]=4 8739 B13R1.369 OCCCSc1ccc(cc1Cl)F 62a_100011215043_100000733362 [1,1,0,0,0,0|0,2,0]=4 8740 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100000047559_100011215043 [1,1,0,0,0,0|1,1,0]=4 8741 B13R1.369 OCCCSc1ccc(cc1Cl)O 62a_100011215043_100000047559 [1,1,0,0,0,0|1,1,0]=4 8742 B13R1.369 OCCCSc1ccc(cc1F)Br 62a_100009814013_100011215043 [1,1,0,0,0,0|0,2,0]=4 8743 B13R1.369 OCCCSc1ccc(cc1F)Br 62a_100011215043_100009814013 [1,1,0,0,0,0|0,2,0]=4 8744 B13R1.369 OCCCSc1ccc(cc1F)Cl 62a_100011215043_100011216042 [1,1,0,0,0,0|0,1,0]=3 8745 B13R1.369 OCCCSc1ccc(cc1F)Cl 62a_100011216042_100011215043 [1,1,0,0,0,0|0,1,0]=3 8746 B13R1.369 OCCCSc1ccc(cc1F)F 62a_100000750030_100011215043 [1,1,0,0,0,0|0,2,0]=4 8747 B13R1.369 OCCCSc1ccc(cc1F)F 62a_100011215043_100000750030 [1,1,0,0,0,0|0,2,0]=4 8748 B13R1.369 OCCCSc1ccc(cc1F)O 62a_100000755031_100011215043 [1,1,0,0,0,0|1,1,0]=4 8749 B13R1.369 OCCCSc1ccc(cc1F)O 62a_100011215043_100000755031 [1,1,0,0,0,0|1,1,0]=4 8750 B13R1.369 OCCCSc1ccc(cc1O)Br 62a_100011215043_100012344904 [1,1,0,0,0,0|0,2,0]=4 8751 B13R1.369 OCCCSc1ccc(cc1O)Br 62a_100012344904_100011215043 [1,1,0,0,0,0|0,2,0]=4 8752 B13R1.369 OCCCSc1ccc(cc1O)Cl 62a_100000050036_100011215043 [1,1,0,0,0,0|0,1,0]=3 8753 B13R1.369 OCCCSc1ccc(cc1O)Cl 62a_100011215043_100000050036 [1,1,0,0,0,0|0,1,0]=3 8754 B13R1.369 OCCCSc1ccc(cc1O)F 62a_100000690578_100011215043 [1,1,0,0,0,0|0,2,0]=4 8755 B13R1.369 OCCCSc1ccc(cc1O)F 62a_100011215043_100000690578 [1,1,0,0,0,0|0,2,0]=4 8756 B13R1.369 OCCCSc1ccc(cc1O)O 62a_100011215043_100009813921 [1,1,0,0,0,0|1,1,0]=4 8757 B13R1.369 OCCCSc1ccc(nc1Cl)Cl 62a_100011215043_100000043682 [1,1,0,0,0,0|1,1,0]=4 8758 B13R1.369 OCCCSc1ccc(nc1F)Cl 62a_100010168078_100011215043 [1,1,0,0,0,0|1,1,0]=4 8759 B13R1.369 OCCCSc1ccc(nc1F)Cl 62a_100011215043_100010168078 [1,1,0,0,0,0|1,1,0]=4 8760 B13R1.369 OCCCSc1cnc(cc1Cl)Cl 62a_100010200927_100011215043 [1,1,0,0,0,0|1,1,0]=4 8761 B13R1.369 OCCCSc1cnc(cc1Cl)Cl 62a_100011215043_100010200927 [1,1,0,0,0,0|1,1,0]=4 8762 B13R1.369 OCCCSc1cnc(cc1F)Cl 62a_100010128100_100011215043 [1,1,0,0,0,0|1,1,0]=4 8763 B13R1.369 OCCCSc1cnc(cc1F)Cl 62a_100011215043_100010128100 [1,1,0,0,0,0|1,1,0]=4 8764 B13R1.369 OCCCSc1ncc(cc1Br)Cl 62a_100011215043_100012154958 [1,1,0,0,0,0|1,1,0]=4 8765 B13R1.369 OCCCSc1ncc(cc1Br)Cl 62a_100012154958_100011215043 [1,1,0,0,0,0|1,1,0]=4 8766 B13R1.369 OCCCSc1ncc(cc1F)Cl 62a_100011215043_100012348686 [1,1,0,0,0,0|1,1,0]=4 8767 B13R1.369 OCCCSc1ncc(cc1F)Cl 62a_100012348686_100011215043 [1,1,0,0,0,0|1,1,0]=4 8768 B13R1.369 OCCCSc1ncc(cc1O)Cl 62a_100010233512_100011215043 [1,1,0,0,0,0|1,1,0]=4 8769 B13R1.369 OCCCSc1ncc(cc1O)Cl 62a_100011215043_100010233512 [1,1,0,0,0,0|1,1,0]=4 8770 B13R1.369 OCCNCc1ccc(cc1Br)Cl 207a_100000210304_100000687667 [1,1,0,0,0,0|2,0,0]=4 8771 B13R1.369 OCCNCc1ccc(cc1Br)Cl 2230a_100016997473_100000755608 [1,1,0,0,0,0|2,0,0]=4 8772 B13R1.369 OCCNCc1ccc(cc1Br)Cl 270004a_100000210304_100000687667 [1,1,0,0,0,0|2,0,0]=4 8773 B13R1.369 OCCNCc1ccc(cc1Br)Cl 34a_100016990907_100000755608 [1,1,0,0,0,0|2,0,0]=4 8774 B13R1.369 OCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000211926 [1,1,0,0,0,0|2,0,0]=4 8775 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 207a_100000210304_100000188887 [1,1,0,0,0,0|2,0,0]=4 8776 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 2230a_100016997473_100000188473 [1,1,0,0,0,0|2,0,0]=4 8777 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 270004a_100000210304_100000188887 [1,1,0,0,0,0|2,0,0]=4 8778 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000211926 [1,1,0,0,0,0|2,0,0]=4 8779 B13R1.369 OCCNCc1ccc(cc1Cl)Cl 34a_100016990907_100000188473 [1,1,0,0,0,0|2,0,0]=4 8780 B13R1.369 OCCNCc1ccc(cc1F)Cl 207a_100000210304_100000697372 [1,1,0,0,0,0|2,0,0]=4 8781 B13R1.369 OCCNCc1ccc(cc1F)Cl 2230a_100016997473_100000709361 [1,1,0,0,0,0|2,0,0]=4 8782 B13R1.369 OCCNCc1ccc(cc1F)Cl 270004a_100000210304_100000697372 [1,1,0,0,0,0|2,0,0]=4 8783 B13R1.369 OCCNCc1ccc(cc1F)Cl 34a_100000708496_100000211926 [1,1,0,0,0,0|2,0,0]=4 8784 B13R1.369 OCCNCc1ccc(cc1F)Cl 34a_100016990907_100000709361 [1,1,0,0,0,0|2,0,0]=4 8785 B13R1.369 OCCNCc1ccc(cc1I)Cl 2230a_100016997473_100010254388 [1,1,0,0,0,0|2,0,0]=4 8786 B13R1.369 OCCNCc1ccc(cc1I)Cl 34a_100016990907_100010254388 [1,1,0,0,0,0|2,0,0]=4 8787 B13R1.369 OCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000211926 [1,1,0,0,0,0|2,0,0]=4 8788 B13R1.369 OCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000211926 [1,1,0,0,0,0|2,0,0]=4 8789 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000211926 [1,1,0,0,0,0|2,0,0]=4 8790 B13R1.369 OCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000211926 [1,1,0,0,0,0|2,0,0]=4 8791 B13R1.369 OCCOCc1ccc(cc1F)Cl 34a_100011217562_100000211926 [1,1,0,0,0,0|2,0,0]=4 8792 B13R1.369 OCCOCc1ccc(cc1F)Cl 7a_100011217562_100000211926 [1,1,0,0,0,0|2,0,0]=4 8793 B13R1.369 OCCOCc1ccc(cc1I)Cl 34a_100000722340_100000211926 [1,1,0,0,0,0|2,0,0]=4 8794 B13R1.369 OCCOCc1ccc(cc1I)Cl 7a_100000722340_100000211926 [1,1,0,0,0,0|2,0,0]=4 8795 B13R1.369 OCCSCc1ccc(cc1Br)Cl 62a_100000211926_100000755608 [1,1,0,0,0,0|2,0,0]=4 8796 B13R1.369 OCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000211926 [1,1,0,0,0,0|2,0,0]=4 8797 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000211926 [1,1,0,0,0,0|2,0,0]=4 8798 B13R1.369 OCCSCc1ccc(cc1Cl)Cl 62a_100000211926_100000188473 [1,1,0,0,0,0|2,0,0]=4 8799 B13R1.369 OCCSCc1ccc(cc1F)Cl 62a_100000211926_100000709361 [1,1,0,0,0,0|2,0,0]=4 8800 B13R1.369 OCCSCc1ccc(cc1F)Cl 62a_100000709361_100000211926 [1,1,0,0,0,0|2,0,0]=4 8801 B13R1.369 OCCSCc1ccc(cc1I)Cl 62a_100000211926_100010254388 [1,1,0,0,0,0|2,0,0]=4 8802 B13R1.369 OCCSCc1ccc(cc1I)Cl 62a_100010254388_100000211926 [1,1,0,0,0,0|2,0,0]=4 8803 B13R1.369 Oc1cc(ccc1NCCCF)Cl 34a_100000185728_100011934791 [1,1,0,0,0,0|2,0,0]=4 8804 B13R1.369 Oc1cc(ccc1SCCCF)Cl 62a_100000050036_100011934791 [1,1,0,0,0,0|1,1,0]=4 8805 B13R1.369 Oc1cc(ccc1SCCCF)Cl 62a_100011934791_100000050036 [1,1,0,0,0,0|1,1,0]=4 8806 B13R1.369 [13CH3]OCCOc1ccc(cc1Br)Cl 34a_100000193638_200025704644 [1,1,0,0,0,0|2,0,0]=4 8807 B13R1.369 [13CH3]OCCOc1ccc(cc1Br)Cl 7a_100000193638_200025704644 [1,1,0,0,0,0|2,0,0]=4 8808 B13R1.369 [13CH3]OCCOc1ccc(cc1Cl)Cl 34a_200000205304_200025704644 [1,1,0,0,0,0|2,0,0]=4 8809 B13R1.369 [13CH3]OCCOc1ccc(cc1Cl)Cl 7a_200000205304_200025704644 [1,1,0,0,0,0|2,0,0]=4 8810 B13R1.369 [13CH3]SCCOc1ccc(cc1Br)Cl 62a_100000199037_200025704644 [1,1,0,0,0,0|2,0,0]=4 8811 B13R1.369 [13CH3]SCCOc1ccc(cc1Br)Cl 62a_200025704644_100000199037 [1,1,0,0,0,0|2,0,0]=4 8812 B13R1.369 [13CH3]SCCOc1ccc(cc1Cl)Cl 62a_100000184432_200025704644 [1,1,0,0,0,0|2,0,0]=4 8813 B13R1.369 [13CH3]SCCOc1ccc(cc1Cl)Cl 62a_200025704644_100000184432 [1,1,0,0,0,0|2,0,0]=4 8814 B13R1.371 C#Cc1ccc(cc1)NCCCO 34a_100011215031_100000230001 [1,1,0,0,0,0|2,0,0]=4 8815 B13R1.371 C#Cc1ccc(nc1)OCCCO 34a_200009884252_100000230001 [1,1,0,0,0,0|2,0,0]=4 8816 B13R1.371 C=Cc1ccc(cc1)NCCCO 34a_100011218248_100000230001 [1,1,0,0,0,0|2,0,0]=4 8817 B13R1.371 C=Cc1ccc(cc1)OCCCC 271570a_100011290941_100000230682 [1,1,0,0,0,0|2,0,0]=4 8818 B13R1.371 C=Cc1ccc(cc1)OCCCC 34a_100000189437_100000210210 [1,1,0,0,0,0|2,0,0]=4 8819 B13R1.371 C=Cc1ccc(cc1)OCCCC 7a_100000189437_100000210211 [1,1,0,0,0,0|2,0,0]=4 8820 B13R1.371 C=Cc1ccc(cc1)OCCCF 34a_100000189437_100011934791 [1,1,0,0,0,0|2,0,0]=4 8821 B13R1.371 C=Cc1ccc(cc1)OCCCF 7a_100000189437_100011934791 [1,1,0,0,0,0|2,0,0]=4 8822 B13R1.371 C=Cc1ccc(cc1)OCCCO 271570a_100011290941_100000756186 [1,1,0,0,0,0|1,0,0]=3 8823 B13R1.371 C=Cc1ccc(cc1)OCCCO 34a_100000189437_100000230001 [1,1,0,0,0,0|1,0,0]=3 8824 B13R1.371 C=Cc1ccc(cc1)OCCCO 7a_100000189437_100011215043 [1,1,0,0,0,0|1,0,0]=3 8825 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100000748128_100011215043 [1,1,0,0,0,0|1,1,0]=4 8826 B13R1.371 C=Cc1ccc(cc1)SCCCO 62a_100011215043_100000748128 [1,1,0,0,0,0|1,1,0]=4 8827 B13R1.371 CCCCOc1ccc(cc1)C#N 34a_100000210344_100000210210 [1,1,0,0,0,0|2,0,0]=4 8828 B13R1.371 CCCCOc1ccc(cc1)C#N 7a_100000210344_100000210211 [1,1,0,0,0,0|2,0,0]=4 8829 B13R1.371 CCCCOc1ccc(cc1)CC 34a_100000211359_100000210210 [1,1,0,0,0,0|2,0,0]=4 8830 B13R1.371 CCCCOc1ccc(cc1)CC 7a_100000211359_100000210211 [1,1,0,0,0,0|2,0,0]=4 8831 B13R1.371 CCCCOc1ccc(cc1)CN 34a_100000185549_100000210210 [1,1,0,0,0,0|2,0,0]=4 8832 B13R1.371 CCCCOc1ccc(cc1)CO 34a_100000211755_100000210210 [1,1,0,0,0,0|2,0,0]=4 8833 B13R1.371 CCCCOc1ccc(cc1)NC 2230a_100011194258_200000210301 [1,1,0,0,0,0|2,0,0]=4 8834 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100000182112_100000210210 [1,1,0,0,0,0|2,0,0]=4 8835 B13R1.371 CCCCOc1ccc(cc1)NC 34a_100011194258_200000210301 [1,1,0,0,0,0|2,0,0]=4 8836 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 2230a_100011194258_200025704644 [1,1,0,0,0,0|2,0,0]=4 8837 B13R1.371 CCCCOc1ccc(cc1)N[13CH3] 34a_100011194258_200025704644 [1,1,0,0,0,0|2,0,0]=4 8838 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100000210503_100000210210 [1,1,0,0,0,0|2,0,0]=4 8839 B13R1.371 CCCCOc1ccc(cc1)OC 34a_100011215020_200000210301 [1,1,0,0,0,0|2,0,0]=4 8840 B13R1.371 CCCCOc1ccc(cc1)OC 7a_100011215020_200000210301 [1,1,0,0,0,0|2,0,0]=4 8841 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 34a_100011215020_200025704644 [1,1,0,0,0,0|2,0,0]=4 8842 B13R1.371 CCCCOc1ccc(cc1)O[13CH3] 7a_100011215020_200025704644 [1,1,0,0,0,0|2,0,0]=4 8843 B13R1.371 CCCCOc1ccc(cc1)SC 34a_100000211864_100000210210 [1,1,0,0,0,0|2,0,0]=4 8844 B13R1.371 CCCCOc1ccc(cc1)SC 62a_200000210301_100000230682 [1,1,0,0,0,0|2,0,0]=4 8845 B13R1.371 CCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000230682 [1,1,0,0,0,0|2,0,0]=4 8846 B13R1.371 CCc1ccc(cc1)NCCCO 2230a_100000211069_100000230001 [1,1,0,0,0,0|2,0,0]=4 8847 B13R1.371 CCc1ccc(cc1)NCCCO 34a_100000211069_100000230001 [1,1,0,0,0,0|2,0,0]=4 8848 B13R1.371 CCc1ccc(cc1)OCCCF 34a_100000211359_100011934791 [1,1,0,0,0,0|2,0,0]=4 8849 B13R1.371 CCc1ccc(cc1)OCCCF 7a_100000211359_100011934791 [1,1,0,0,0,0|2,0,0]=4 8850 B13R1.371 CCc1ccc(cc1)OCCCO 34a_100000211359_100000230001 [1,1,0,0,0,0|1,0,0]=3 8851 B13R1.371 CCc1ccc(cc1)OCCCO 7a_100000211359_100011215043 [1,1,0,0,0,0|1,0,0]=3 8852 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215043_100011215824 [1,1,0,0,0,0|1,1,0]=4 8853 B13R1.371 CCc1ccc(cc1)SCCCO 62a_100011215824_100011215043 [1,1,0,0,0,0|1,1,0]=4 8854 B13R1.371 CNc1ccc(cc1)OCCCF 34a_100000182112_100011934791 [1,1,0,0,0,0|2,0,0]=4 8855 B13R1.371 CNc1ccc(cc1)OCCCO 2230a_100000730458_200000210301 [1,1,0,0,0,0|1,0,0]=3 8856 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000182112_100000230001 [1,1,0,0,0,0|1,0,0]=3 8857 B13R1.371 CNc1ccc(cc1)OCCCO 34a_100000730458_200000210301 [1,1,0,0,0,0|1,0,0]=3 8858 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100000743151_100011215043 [1,1,0,0,0,0|1,1,0]=4 8859 B13R1.371 CNc1ccc(cc1)SCCCO 62a_100011215043_100000743151 [1,1,0,0,0,0|1,1,0]=4 8860 B13R1.371 COc1ccc(cc1)NCCCO 34a_100000184247_100000230001 [1,1,0,0,0,0|2,0,0]=4 8861 B13R1.371 COc1ccc(cc1)OCCCF 34a_100000210503_100011934791 [1,1,0,0,0,0|2,0,0]=4 8862 B13R1.371 COc1ccc(cc1)OCCCO 34a_100000210503_100000230001 [1,1,0,0,0,0|1,0,0]=3 8863 B13R1.371 COc1ccc(cc1)SCCCO 62a_100011215043_100000171711 [1,1,0,0,0,0|1,1,0]=4 8864 B13R1.371 COc1ccc(cn1)OCCCO 34a_100011934560_100000230001 [1,1,0,0,0,0|2,0,0]=4 8865 B13R1.371 COc1ccc(nc1)OCCCO 34a_100012002028_100000230001 [1,1,0,0,0,0|2,0,0]=4 8866 B13R1.371 CSc1ccc(cc1)NCCCO 34a_100000212337_100000230001 [1,1,0,0,0,0|2,0,0]=4 8867 B13R1.371 CSc1ccc(cc1)OCCCF 34a_100000211864_100011934791 [1,1,0,0,0,0|2,0,0]=4 8868 B13R1.371 CSc1ccc(cc1)OCCCO 34a_100000211864_100000230001 [1,1,0,0,0,0|1,0,0]=3 8869 B13R1.371 CSc1ccc(cc1)OCCCO 62a_100000756186_200000210301 [1,1,0,0,0,0|1,0,0]=3 8870 B13R1.371 CSc1ccc(cc1)OCCCO 62a_200000210301_100000756186 [1,1,0,0,0,0|1,0,0]=3 8871 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011215043_100011263217 [1,1,0,0,0,0|1,1,0]=4 8872 B13R1.371 CSc1ccc(cc1)SCCCO 62a_100011263217_100011215043 [1,1,0,0,0,0|1,1,0]=4 8873 B13R1.371 N#Cc1ccc(cc1)NCCCO 34a_100000185469_100000230001 [1,1,0,0,0,0|2,0,0]=4 8874 B13R1.371 N#Cc1ccc(cc1)OCCCF 34a_100000210344_100011934791 [1,1,0,0,0,0|2,0,0]=4 8875 B13R1.371 N#Cc1ccc(cc1)OCCCF 7a_100000210344_100011934791 [1,1,0,0,0,0|2,0,0]=4 8876 B13R1.371 N#Cc1ccc(cc1)OCCCO 34a_100000210344_100000230001 [1,1,0,0,0,0|1,0,0]=3 8877 B13R1.371 N#Cc1ccc(cc1)OCCCO 7a_100000210344_100011215043 [1,1,0,0,0,0|1,0,0]=3 8878 B13R1.371 N#Cc1ccc(cc1)SCCCO 62a_100011215043_100000184291 [1,1,0,0,0,0|1,1,0]=4 8879 B13R1.371 N#Cc1ccc(cn1)OCCCO 34a_100011934750_100000230001 [1,1,0,0,0,0|2,0,0]=4 8880 B13R1.371 N#Cc1ccc(cn1)OCCCO 7a_100011934750_100011215043 [1,1,0,0,0,0|2,0,0]=4 8881 B13R1.371 NCc1ccc(cc1)OCCCF 34a_100000185549_100011934791 [1,1,0,0,0,0|2,0,0]=4 8882 B13R1.371 NCc1ccc(cc1)OCCCO 34a_100000185549_100000230001 [1,1,0,0,0,0|1,0,0]=3 8883 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100011215043_100016989417 [1,1,0,0,0,0|1,1,0]=4 8884 B13R1.371 NCc1ccc(cc1)SCCCO 62a_100016989417_100011215043 [1,1,0,0,0,0|1,1,0]=4 8885 B13R1.371 NCc1ccc(cn1)OCCCO 34a_100020605196_100000230001 [1,1,0,0,0,0|2,0,0]=4 8886 B13R1.371 NCc1ccc(nc1)OCCCO 34a_100000757128_100000230001 [1,1,0,0,0,0|2,0,0]=4 8887 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100011215043_100016988836 [1,1,0,0,0,0|1,1,0]=4 8888 B13R1.371 NNc1ccc(cc1)SCCCO 62a_100016988836_100011215043 [1,1,0,0,0,0|1,1,0]=4 8889 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100000188517_100011215043 [1,1,0,0,0,0|1,1,0]=4 8890 B13R1.371 O=Cc1ccc(cc1)SCCCO 62a_100011215043_100000188517 [1,1,0,0,0,0|1,1,0]=4 8891 B13R1.371 OCCCNc1ccc(cc1)CO 2230a_100011215238_100000230001 [1,1,0,0,0,0|2,0,0]=4 8892 B13R1.371 OCCCNc1ccc(cc1)CO 34a_100011215238_100000230001 [1,1,0,0,0,0|2,0,0]=4 8893 B13R1.371 OCCCOc1ccc(cc1)CO 34a_100000211755_100000230001 [1,1,0,0,0,0|1,0,0]=3 8894 B13R1.371 OCCCOc1ccc(nc1)CO 34a_103436540053_100000230001 [1,1,0,0,0,0|2,0,0]=4 8895 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100010268989_100011215043 [1,1,0,0,0,0|0,2,0]=4 8896 B13R1.371 OCCCSc1ccc(cc1)CF 62a_100011215043_100010268989 [1,1,0,0,0,0|0,2,0]=4 8897 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100000690907_100011215043 [1,1,0,0,0,0|1,1,0]=4 8898 B13R1.371 OCCCSc1ccc(cc1)CO 62a_100011215043_100000690907 [1,1,0,0,0,0|1,1,0]=4 8899 B13R1.371 OCCNN=C1C=CC(=NCl)C=C1 4a_100000210001_100000088476 [1,1,0,0,0,0|2,0,0]=4 8900 B13R1.371 OCCOCc1ccc(cc1)CCl 34a_100000067286_100000211926 [1,1,0,0,0,0|2,0,0]=4 8901 B13R1.371 OCCOCc1ccc(cc1)CCl 7a_100000067286_100000211926 [1,1,0,0,0,0|2,0,0]=4 8902 B13R1.371 OCc1ccc(cc1)OCCCF 34a_100000211755_100011934791 [1,1,0,0,0,0|2,0,0]=4 8903 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 2230a_100000730458_200025704644 [1,1,0,0,0,0|1,0,0]=3 8904 B13R1.371 [13CH3]Nc1ccc(cc1)OCCCO 34a_100000730458_200025704644 [1,1,0,0,0,0|1,0,0]=3 8905 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_100000756186_200025704644 [1,1,0,0,0,0|1,0,0]=3 8906 B13R1.371 [13CH3]Sc1ccc(cc1)OCCCO 62a_200025704644_100000756186 [1,1,0,0,0,0|1,0,0]=3 8907 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000730704 [1,1,0,0,0,0|1,0,1]=4 8908 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000730704 [1,1,0,0,0,0|1,0,1]=4 8909 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [1,1,0,0,0,0|0,0,2]=4 8910 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [1,1,0,0,0,0|0,0,2]=4 8911 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [1,1,0,0,0,0|0,0,2]=4 8912 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 2230a_100000210052_100000210312 [1,1,0,0,0,0|2,0,0]=4 8913 B13R1.513 CC(C)CCNc1ccc(cc1)Cl 34a_100000210052_100000210312 [1,1,0,0,0,0|2,0,0]=4 8914 B13R1.513 CC(C)CCOc1ccc(cc1)Br 34a_100000185759_100000210312 [1,1,0,0,0,0|1,1,0]=4 8915 B13R1.513 CC(C)CCOc1ccc(cc1)Br 7a_100000185759_100000210626 [1,1,0,0,0,0|1,1,0]=4 8916 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000210312 [1,1,0,0,0,0|1,0,0]=3 8917 B13R1.513 CC(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000210626 [1,1,0,0,0,0|1,0,0]=3 8918 B13R1.513 CC(C)CCOc1ccc(cc1)F 34a_100000210339_100000210312 [1,1,0,0,0,0|1,1,0]=4 8919 B13R1.513 CC(C)CCOc1ccc(cc1)I 34a_100000212066_100000210312 [1,1,0,0,0,0|1,1,0]=4 8920 B13R1.513 CC(C)CCOc1ccc(cc1)I 7a_100000212066_100000210626 [1,1,0,0,0,0|1,1,0]=4 8921 B13R1.513 CC(C)CCOc1ccc(cc1)N 34a_100000185829_100000210312 [1,1,0,0,0,0|2,0,0]=4 8922 B13R1.513 CC(C)CCOc1ccc(cn1)Cl 34a_100011215309_100000210312 [1,1,0,0,0,0|2,0,0]=4 8923 B13R1.513 CC(C)CCOc1ccc(nc1)Cl 34a_100000744096_100000210312 [1,1,0,0,0,0|2,0,0]=4 8924 B13R1.513 CC(C)CCOc1ccc(nc1)Cl 7a_100000744096_100000210626 [1,1,0,0,0,0|2,0,0]=4 8925 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000210312_100000755918 [1,1,0,0,0,0|1,1,0]=4 8926 B13R1.513 CC(C)CCSc1ccc(cc1)Cl 62a_100000755918_100000210312 [1,1,0,0,0,0|1,1,0]=4 8927 B13R1.513 CC(C)OCOc1ccc(cc1)Cl 34a_100000210216_100000709892 [1,1,0,0,0,0|2,0,0]=4 8928 B13R1.513 CC(O)CCNc1ccc(cc1)Br 2230a_100000210018_100012276601 [1,1,0,0,0,0|1,1,0]=4 8929 B13R1.513 CC(O)CCNc1ccc(cc1)Br 34a_100000210018_100012276601 [1,1,0,0,0,0|1,1,0]=4 8930 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 2230a_100000210052_100012276601 [1,1,0,0,0,0|1,0,0]=3 8931 B13R1.513 CC(O)CCNc1ccc(cc1)Cl 34a_100000210052_100012276601 [1,1,0,0,0,0|1,0,0]=3 8932 B13R1.513 CC(O)CCNc1ccc(cc1)F 34a_100000185862_100012276601 [1,1,0,0,0,0|1,1,0]=4 8933 B13R1.513 CC(O)CCNc1ccc(cc1)I 34a_100000185761_100012276601 [1,1,0,0,0,0|1,1,0]=4 8934 B13R1.513 CC(O)CCNc1ccc(cc1)O 34a_100000185829_100012276601 [1,1,0,0,0,0|2,0,0]=4 8935 B13R1.513 CC(O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100012276601 [1,1,0,0,0,0|2,0,0]=4 8936 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [1,1,0,0,0,0|0,1,0]=3 8937 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [1,1,0,0,0,0|0,1,0]=3 8938 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [1,1,0,0,0,0|0,0,0]=2 8939 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [1,1,0,0,0,0|0,0,0]=2 8940 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [1,1,0,0,0,0|0,1,0]=3 8941 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [1,1,0,0,0,0|0,1,0]=3 8942 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [1,1,0,0,0,0|0,1,0]=3 8943 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [1,1,0,0,0,0|1,0,0]=3 8944 B13R1.513 CC(O)CCOc1ccc(cn1)Cl 34a_100011215309_100012276601 [1,1,0,0,0,0|1,0,0]=3 8945 B13R1.513 CC(O)CCOc1ccc(cn1)F 34a_100000742473_100012276601 [1,1,0,0,0,0|1,1,0]=4 8946 B13R1.513 CC(O)CCOc1ccc(cn1)N 34a_100000729260_100012276601 [1,1,0,0,0,0|2,0,0]=4 8947 B13R1.513 CC(O)CCOc1ccc(nc1)Br 34a_100000685995_100012276601 [1,1,0,0,0,0|1,1,0]=4 8948 B13R1.513 CC(O)CCOc1ccc(nc1)Br 7a_100000685995_100012276601 [1,1,0,0,0,0|1,1,0]=4 8949 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 34a_100000744096_100012276601 [1,1,0,0,0,0|1,0,0]=3 8950 B13R1.513 CC(O)CCOc1ccc(nc1)Cl 7a_100000744096_100012276601 [1,1,0,0,0,0|1,0,0]=3 8951 B13R1.513 CC(O)CCOc1ccc(nc1)F 34a_100000688820_100012276601 [1,1,0,0,0,0|1,1,0]=4 8952 B13R1.513 CC(O)CCOc1ccc(nc1)F 7a_100000688820_100012276601 [1,1,0,0,0,0|1,1,0]=4 8953 B13R1.513 CC(O)CCOc1ccc(nc1)I 34a_100000687607_100012276601 [1,1,0,0,0,0|1,1,0]=4 8954 B13R1.513 CC(O)CCOc1ccc(nc1)I 7a_100000687607_100012276601 [1,1,0,0,0,0|1,1,0]=4 8955 B13R1.513 CC(O)CCOc1ccc(nc1)N 34a_100015188713_100012276601 [1,1,0,0,0,0|2,0,0]=4 8956 B13R1.513 CC(O)CCOc1ccc(nc1)N 7a_100015188713_100012276601 [1,1,0,0,0,0|2,0,0]=4 8957 B13R1.513 CC(O)CCOc1cnc(cn1)Cl 34a_100015839800_100012276601 [1,1,0,0,0,0|2,0,0]=4 8958 B13R1.513 CC(O)CCOc1cnc(nc1)Cl 34a_100000092845_100012276601 [1,1,0,0,0,0|2,0,0]=4 8959 B13R1.513 CC(O)CCOc1cnc(nc1)Cl 7a_100000092845_100012276601 [1,1,0,0,0,0|2,0,0]=4 8960 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100000752885_100012276601 [1,1,0,0,0,0|0,2,0]=4 8961 B13R1.513 CC(O)CCSc1ccc(cc1)Br 62a_100012276601_100000752885 [1,1,0,0,0,0|0,2,0]=4 8962 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100000755918_100012276601 [1,1,0,0,0,0|0,1,0]=3 8963 B13R1.513 CC(O)CCSc1ccc(cc1)Cl 62a_100012276601_100000755918 [1,1,0,0,0,0|0,1,0]=3 8964 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100000211213_100012276601 [1,1,0,0,0,0|0,2,0]=4 8965 B13R1.513 CC(O)CCSc1ccc(cc1)F 62a_100012276601_100000211213 [1,1,0,0,0,0|0,2,0]=4 8966 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100000185761_100012276601 [1,1,0,0,0,0|1,1,0]=4 8967 B13R1.513 CC(O)CCSc1ccc(cc1)N 62a_100012276601_100000185761 [1,1,0,0,0,0|1,1,0]=4 8968 B13R1.513 CC(O)CCSc1ccc(cc1)O 62a_100012276601_100000185759 [1,1,0,0,0,0|1,1,0]=4 8969 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100011356976_100012276601 [1,1,0,0,0,0|1,1,0]=4 8970 B13R1.513 CC(O)CCSc1ccc(cn1)Cl 62a_100012276601_100011356976 [1,1,0,0,0,0|1,1,0]=4 8971 B13R1.513 CC(O)CCSc1ccc(nc1)Cl 62a_100000034144_100012276601 [1,1,0,0,0,0|1,1,0]=4 8972 B13R1.513 CC(O)CCSc1ccc(nc1)Cl 62a_100012276601_100000034144 [1,1,0,0,0,0|1,1,0]=4 8973 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 207a_100000210904_100000189385 [1,1,0,0,0,0|2,0,0]=4 8974 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218427 [1,1,0,0,0,0|2,0,0]=4 8975 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 2230a_100000210904_100000694040 [1,1,0,0,0,0|2,0,0]=4 8976 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 270004a_100000210904_100000189385 [1,1,0,0,0,0|2,0,0]=4 8977 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218427 [1,1,0,0,0,0|2,0,0]=4 8978 B13R1.513 CC(O)CNCc1ccc(cc1)Cl 34a_100000210904_100000694040 [1,1,0,0,0,0|2,0,0]=4 8979 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [1,1,0,0,0,0|2,0,0]=4 8980 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [1,1,0,0,0,0|2,0,0]=4 8981 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218427 [1,1,0,0,0,0|2,0,0]=4 8982 B13R1.513 CC(O)CSCc1ccc(cc1)Cl 62a_100011218427_100000187161 [1,1,0,0,0,0|2,0,0]=4 8983 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 2230a_100102631434_100000184122 [1,1,0,0,0,0|2,0,0]=4 8984 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 269982a_100102631434_100000184122 [1,1,0,0,0,0|2,0,0]=4 8985 B13R1.513 CN(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000755713 [1,1,0,0,0,0|2,0,0]=4 8986 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009817552 [1,1,0,0,0,0|2,0,0]=4 8987 B13R1.513 C[C@@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009817552 [1,1,0,0,0,0|2,0,0]=4 8988 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [1,1,0,0,0,0|2,0,0]=4 8989 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [1,1,0,0,0,0|2,0,0]=4 8990 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009817552 [1,1,0,0,0,0|2,0,0]=4 8991 B13R1.513 C[C@@H](O)CSCc1ccc(cc1)Cl 62a_100009817552_100000187161 [1,1,0,0,0,0|2,0,0]=4 8992 B13R1.513 Cc1ccc(cc1)NCCC(C)O 34a_100000124888_100012276601 [1,1,0,0,0,0|2,0,0]=4 8993 B13R1.513 Cc1ccc(cc1)OCCC(C)C 34a_100000210336_100000210312 [1,1,0,0,0,0|2,0,0]=4 8994 B13R1.513 Cc1ccc(cc1)OCCC(C)C 7a_100000210336_100000210626 [1,1,0,0,0,0|2,0,0]=4 8995 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [1,1,0,0,0,0|1,0,0]=3 8996 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [1,1,0,0,0,0|1,0,0]=3 8997 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100000186775_100012276601 [1,1,0,0,0,0|1,1,0]=4 8998 B13R1.513 Cc1ccc(cc1)SCCC(C)O 62a_100012276601_100000186775 [1,1,0,0,0,0|1,1,0]=4 8999 B13R1.513 Cc1ccc(cn1)OCCC(C)O 34a_100000745506_100012276601 [1,1,0,0,0,0|2,0,0]=4 9000 B13R1.513 Cc1ccc(cn1)OCCC(C)O 7a_100000745506_100012276601 [1,1,0,0,0,0|2,0,0]=4 9001 B13R1.513 Cc1ccc(nc1)OCCC(C)O 34a_100000759353_100012276601 [1,1,0,0,0,0|2,0,0]=4 9002 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [1,1,0,0,0,0|0,0,2]=4 9003 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [1,1,0,0,0,0|0,0,2]=4 9004 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [1,1,0,0,0,0|0,0,2]=4 9005 B13R1.669 C#CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000688953 [1,1,0,0,0,0|1,0,1]=4 9006 B13R1.669 C#CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000688953 [1,1,0,0,0,0|1,0,1]=4 9007 B13R1.669 C#CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000688953 [1,1,0,0,0,0|1,0,1]=4 9008 B13R1.669 C#CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000688953 [1,1,0,0,0,0|1,0,1]=4 9009 B13R1.669 C#CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000688953 [1,1,0,0,0,0|1,0,1]=4 9010 B13R1.669 C#CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000688953 [1,1,0,0,0,0|1,0,1]=4 9011 B13R1.669 C#CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000688953 [1,1,0,0,0,0|1,0,1]=4 9012 B13R1.669 C#CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000688953 [1,1,0,0,0,0|1,0,1]=4 9013 B13R1.669 C#CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000688953 [1,1,0,0,0,0|1,0,1]=4 9014 B13R1.669 C#CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000688953 [1,1,0,0,0,0|1,0,1]=4 9015 B13R1.669 C#CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000688953 [1,1,0,0,0,0|1,0,1]=4 9016 B13R1.669 C=CCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000754431 [1,1,0,0,0,0|1,0,1]=4 9017 B13R1.669 C=CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000754431 [1,1,0,0,0,0|1,0,1]=4 9018 B13R1.669 C=CCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000754431 [1,1,0,0,0,0|1,0,1]=4 9019 B13R1.669 C=CCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000754431 [1,1,0,0,0,0|1,0,1]=4 9020 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000754431 [1,1,0,0,0,0|1,0,1]=4 9021 B13R1.669 C=CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000754431 [1,1,0,0,0,0|1,0,1]=4 9022 B13R1.669 C=CCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000754431 [1,1,0,0,0,0|1,0,1]=4 9023 B13R1.669 C=CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000754431 [1,1,0,0,0,0|1,0,1]=4 9024 B13R1.669 C=CCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000754431 [1,1,0,0,0,0|1,0,1]=4 9025 B13R1.669 C=CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000754431 [1,1,0,0,0,0|1,0,1]=4 9026 B13R1.669 C=CCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000754431 [1,1,0,0,0,0|1,0,1]=4 9027 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210211 [1,1,0,0,0,0|2,0,0]=4 9028 B13R1.669 CCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210210 [1,1,0,0,0,0|2,0,0]=4 9029 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210211 [1,1,0,0,0,0|2,0,0]=4 9030 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000210210 [1,1,0,0,0,0|2,0,0]=4 9031 B13R1.669 CCCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210211 [1,1,0,0,0,0|2,0,0]=4 9032 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210211 [1,1,0,0,0,0|2,0,0]=4 9033 B13R1.669 CCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210210 [1,1,0,0,0,0|2,0,0]=4 9034 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210211 [1,1,0,0,0,0|2,0,0]=4 9035 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000210210 [1,1,0,0,0,0|2,0,0]=4 9036 B13R1.669 CCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210211 [1,1,0,0,0,0|2,0,0]=4 9037 B13R1.669 CCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000210210 [1,1,0,0,0,0|2,0,0]=4 9038 B13R1.669 CCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210210 [1,1,0,0,0,0|2,0,0]=4 9039 B13R1.669 CCCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210210 [1,1,0,0,0,0|2,0,0]=4 9040 B13R1.669 CCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210210 [1,1,0,0,0,0|2,0,0]=4 9041 B13R1.669 CCCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210210 [1,1,0,0,0,0|2,0,0]=4 9042 B13R1.669 CCCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210211 [1,1,0,0,0,0|2,0,0]=4 9043 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000210210 [1,1,0,0,0,0|1,0,0]=3 9044 B13R1.669 CCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210211 [1,1,0,0,0,0|1,0,0]=3 9045 B13R1.669 CCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000210210 [1,1,0,0,0,0|1,1,0]=4 9046 B13R1.669 CCCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210211 [1,1,0,0,0,0|1,1,0]=4 9047 B13R1.669 CCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000210210 [1,1,0,0,0,0|1,1,0]=4 9048 B13R1.669 CCCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210211 [1,1,0,0,0,0|1,1,0]=4 9049 B13R1.669 CCCCOc1ccc(c(c1)Br)N 34a_100012001276_100000210210 [1,1,0,0,0,0|2,0,0]=4 9050 B13R1.669 CCCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210211 [1,1,0,0,0,0|2,0,0]=4 9051 B13R1.669 CCCCOc1ccc(c(c1)C)Br 34a_100000690111_100000210210 [1,1,0,0,0,0|1,1,0]=4 9052 B13R1.669 CCCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210211 [1,1,0,0,0,0|1,1,0]=4 9053 B13R1.669 CCCCOc1ccc(c(c1)C)C 34a_100000210932_100000210210 [1,1,0,0,0,0|2,0,0]=4 9054 B13R1.669 CCCCOc1ccc(c(c1)C)C 7a_100000210932_100000210211 [1,1,0,0,0,0|2,0,0]=4 9055 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000210210 [1,1,0,0,0,0|1,0,0]=3 9056 B13R1.669 CCCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210211 [1,1,0,0,0,0|1,0,0]=3 9057 B13R1.669 CCCCOc1ccc(c(c1)C)F 34a_100000751312_100000210210 [1,1,0,0,0,0|1,1,0]=4 9058 B13R1.669 CCCCOc1ccc(c(c1)C)F 7a_100000751312_100000210211 [1,1,0,0,0,0|1,1,0]=4 9059 B13R1.669 CCCCOc1ccc(c(c1)C)I 34a_100000729255_100000210210 [1,1,0,0,0,0|1,1,0]=4 9060 B13R1.669 CCCCOc1ccc(c(c1)C)I 7a_100000729255_100000210211 [1,1,0,0,0,0|1,1,0]=4 9061 B13R1.669 CCCCOc1ccc(c(c1)C)N 34a_100000756630_100000210210 [1,1,0,0,0,0|2,0,0]=4 9062 B13R1.669 CCCCOc1ccc(c(c1)C)N 7a_100000756630_100000210211 [1,1,0,0,0,0|2,0,0]=4 9063 B13R1.669 CCCCOc1ccc(c(c1)C)O 271570a_203496583355_200012350294 [1,1,0,0,0,0|2,0,0]=4 9064 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000210210 [1,1,0,0,0,0|1,1,0]=4 9065 B13R1.669 CCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210211 [1,1,0,0,0,0|1,1,0]=4 9066 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210210 [1,1,0,0,0,0|2,0,0]=4 9067 B13R1.669 CCCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210211 [1,1,0,0,0,0|2,0,0]=4 9068 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210210 [1,1,0,0,0,0|1,0,0]=3 9069 B13R1.669 CCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210211 [1,1,0,0,0,0|1,0,0]=3 9070 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000210210 [1,1,0,0,0,0|1,1,0]=4 9071 B13R1.669 CCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210211 [1,1,0,0,0,0|1,1,0]=4 9072 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000210210 [1,1,0,0,0,0|1,1,0]=4 9073 B13R1.669 CCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210211 [1,1,0,0,0,0|1,1,0]=4 9074 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000210210 [1,1,0,0,0,0|2,0,0]=4 9075 B13R1.669 CCCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210211 [1,1,0,0,0,0|2,0,0]=4 9076 B13R1.669 CCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000210210 [1,1,0,0,0,0|1,1,0]=4 9077 B13R1.669 CCCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210211 [1,1,0,0,0,0|1,1,0]=4 9078 B13R1.669 CCCCOc1ccc(c(c1)F)C 34a_100000722560_100000210210 [1,1,0,0,0,0|2,0,0]=4 9079 B13R1.669 CCCCOc1ccc(c(c1)F)C 7a_100000722560_100000210211 [1,1,0,0,0,0|2,0,0]=4 9080 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000210210 [1,1,0,0,0,0|1,0,0]=3 9081 B13R1.669 CCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210211 [1,1,0,0,0,0|1,0,0]=3 9082 B13R1.669 CCCCOc1ccc(c(c1)F)F 34a_100000181275_100000210210 [1,1,0,0,0,0|1,1,0]=4 9083 B13R1.669 CCCCOc1ccc(c(c1)F)F 7a_100000181275_100000210211 [1,1,0,0,0,0|1,1,0]=4 9084 B13R1.669 CCCCOc1ccc(c(c1)F)I 34a_100009990212_100000210210 [1,1,0,0,0,0|1,1,0]=4 9085 B13R1.669 CCCCOc1ccc(c(c1)F)I 7a_100009990212_100000210211 [1,1,0,0,0,0|1,1,0]=4 9086 B13R1.669 CCCCOc1ccc(c(c1)F)N 34a_100000759473_100000210210 [1,1,0,0,0,0|2,0,0]=4 9087 B13R1.669 CCCCOc1ccc(c(c1)F)N 7a_100000759473_100000210211 [1,1,0,0,0,0|2,0,0]=4 9088 B13R1.669 CCCCOc1ccc(c(c1)F)O 271570a_203496583355_200012236941 [1,1,0,0,0,0|2,0,0]=4 9089 B13R1.669 CCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000210210 [1,1,0,0,0,0|1,1,0]=4 9090 B13R1.669 CCCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210211 [1,1,0,0,0,0|1,1,0]=4 9091 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000210210 [1,1,0,0,0,0|1,0,0]=3 9092 B13R1.669 CCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210211 [1,1,0,0,0,0|1,0,0]=3 9093 B13R1.669 CCCCOc1ccc(c(c1)I)N 34a_100010084370_100000210210 [1,1,0,0,0,0|2,0,0]=4 9094 B13R1.669 CCCCOc1ccc(c(c1)I)N 7a_100010084370_100000210211 [1,1,0,0,0,0|2,0,0]=4 9095 B13R1.669 CCCCOc1ccc(c(c1)N)Br 34a_100011999798_100000210210 [1,1,0,0,0,0|1,1,0]=4 9096 B13R1.669 CCCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210211 [1,1,0,0,0,0|1,1,0]=4 9097 B13R1.669 CCCCOc1ccc(c(c1)N)C 34a_100011216113_100000210210 [1,1,0,0,0,0|2,0,0]=4 9098 B13R1.669 CCCCOc1ccc(c(c1)N)C 7a_100011216113_100000210211 [1,1,0,0,0,0|2,0,0]=4 9099 B13R1.669 CCCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000210210 [1,1,0,0,0,0|1,0,0]=3 9100 B13R1.669 CCCCOc1ccc(c(c1)N)F 34a_100012017239_100000210210 [1,1,0,0,0,0|1,1,0]=4 9101 B13R1.669 CCCCOc1ccc(c(c1)N)F 7a_100012017239_100000210211 [1,1,0,0,0,0|1,1,0]=4 9102 B13R1.669 CCCCOc1ccc(c(c1)N)N 34a_100025771000_100000210210 [1,1,0,0,0,0|2,0,0]=4 9103 B13R1.669 CCCCOc1ccc(c(n1)C)Cl 34a_200009863735_100000210210 [1,1,0,0,0,0|2,0,0]=4 9104 B13R1.669 CCCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000210210 [1,1,0,0,0,0|2,0,0]=4 9105 B13R1.669 CCCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000210211 [1,1,0,0,0,0|2,0,0]=4 9106 B13R1.669 CCCCOc1cnc(c(c1)C)Cl 34a_100012002680_100000210210 [1,1,0,0,0,0|2,0,0]=4 9107 B13R1.669 CCCCOc1cnc(c(c1)C)Cl 7a_100012002680_100000210211 [1,1,0,0,0,0|2,0,0]=4 9108 B13R1.669 CCCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000210210 [1,1,0,0,0,0|2,0,0]=4 9109 B13R1.669 CCCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210211 [1,1,0,0,0,0|2,0,0]=4 9110 B13R1.669 CCCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000210210 [1,1,0,0,0,0|2,0,0]=4 9111 B13R1.669 CCCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000210211 [1,1,0,0,0,0|2,0,0]=4 9112 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100000210211_100012353702 [1,1,0,0,0,0|1,1,0]=4 9113 B13R1.669 CCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210210 [1,1,0,0,0,0|1,1,0]=4 9114 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210210 [1,1,0,0,0,0|1,1,0]=4 9115 B13R1.669 CCCCSc1ccc(c(c1)C)Cl 62a_100000210211_100000049509 [1,1,0,0,0,0|1,1,0]=4 9116 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100000210211_100011214914 [1,1,0,0,0,0|1,1,0]=4 9117 B13R1.669 CCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210210 [1,1,0,0,0,0|1,1,0]=4 9118 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100000210211_100011216805 [1,1,0,0,0,0|1,1,0]=4 9119 B13R1.669 CCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210210 [1,1,0,0,0,0|1,1,0]=4 9120 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_100000210211_200000761891 [1,1,0,0,0,0|1,1,0]=4 9121 B13R1.669 CCCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210210 [1,1,0,0,0,0|1,1,0]=4 9122 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100000210211_100011356854 [1,1,0,0,0,0|1,1,0]=4 9123 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210210 [1,1,0,0,0,0|1,1,0]=4 9124 B13R1.669 CNCCOc1ccc(c(c1)C)Cl 2230a_100025718798_200000210301 [1,1,0,0,0,0|2,0,0]=4 9125 B13R1.669 CNCCOc1ccc(c(c1)C)Cl 34a_100025718798_200000210301 [1,1,0,0,0,0|2,0,0]=4 9126 B13R1.669 CNCCOc1ccc(c(c1)Cl)Cl 2230a_100015199673_200000210301 [1,1,0,0,0,0|2,0,0]=4 9127 B13R1.669 CNCCOc1ccc(c(c1)Cl)Cl 34a_100015199673_200000210301 [1,1,0,0,0,0|2,0,0]=4 9128 B13R1.669 COCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011201679 [1,1,0,0,0,0|2,0,0]=4 9129 B13R1.669 COCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000233755 [1,1,0,0,0,0|2,0,0]=4 9130 B13R1.669 COCCOc1ccc(c(c1)C)Cl 34a_100000211092_100011201679 [1,1,0,0,0,0|2,0,0]=4 9131 B13R1.669 COCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000233755 [1,1,0,0,0,0|2,0,0]=4 9132 B13R1.669 COCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011201679 [1,1,0,0,0,0|2,0,0]=4 9133 B13R1.669 COCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000233755 [1,1,0,0,0,0|2,0,0]=4 9134 B13R1.669 COCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011201679 [1,1,0,0,0,0|2,0,0]=4 9135 B13R1.669 COCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000233755 [1,1,0,0,0,0|2,0,0]=4 9136 B13R1.669 COCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011201679 [1,1,0,0,0,0|2,0,0]=4 9137 B13R1.669 COCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000233755 [1,1,0,0,0,0|2,0,0]=4 9138 B13R1.669 COCCOc1ccc(c(c1)N)Cl 34a_100011934297_100011201679 [1,1,0,0,0,0|2,0,0]=4 9139 B13R1.669 CSCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000212216 [1,1,0,0,0,0|2,0,0]=4 9140 B13R1.669 CSCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000212216 [1,1,0,0,0,0|2,0,0]=4 9141 B13R1.669 CSCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000212216 [1,1,0,0,0,0|2,0,0]=4 9142 B13R1.669 CSCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000212216 [1,1,0,0,0,0|2,0,0]=4 9143 B13R1.669 CSCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000212216 [1,1,0,0,0,0|2,0,0]=4 9144 B13R1.669 CSCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000212216 [1,1,0,0,0,0|2,0,0]=4 9145 B13R1.669 CSCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000212216 [1,1,0,0,0,0|2,0,0]=4 9146 B13R1.669 CSCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000212216 [1,1,0,0,0,0|2,0,0]=4 9147 B13R1.669 CSCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000212216 [1,1,0,0,0,0|2,0,0]=4 9148 B13R1.669 CSCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000212216 [1,1,0,0,0,0|2,0,0]=4 9149 B13R1.669 CSCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000212216 [1,1,0,0,0,0|2,0,0]=4 9150 B13R1.669 Cc1cc(ccc1Br)NCCCO 2230a_100000210723_100000230001 [1,1,0,0,0,0|1,1,0]=4 9151 B13R1.669 Cc1cc(ccc1Br)NCCCO 34a_100000210723_100000230001 [1,1,0,0,0,0|1,1,0]=4 9152 B13R1.669 Cc1cc(ccc1Br)NCCCO 7a_100000210723_100011215043 [1,1,0,0,0,0|1,1,0]=4 9153 B13R1.669 Cc1cc(ccc1Br)OCCCF 34a_100000690111_100011934791 [1,1,0,0,0,0|1,1,0]=4 9154 B13R1.669 Cc1cc(ccc1Br)OCCCF 7a_100000690111_100011934791 [1,1,0,0,0,0|1,1,0]=4 9155 B13R1.669 Cc1cc(ccc1Br)OCCCO 34a_100000690111_100000230001 [1,1,0,0,0,0|0,1,0]=3 9156 B13R1.669 Cc1cc(ccc1Br)OCCCO 7a_100000690111_100011215043 [1,1,0,0,0,0|0,1,0]=3 9157 B13R1.669 Cc1cc(ccc1Br)SCCCO 62a_100009813585_100011215043 [1,1,0,0,0,0|0,2,0]=4 9158 B13R1.669 Cc1cc(ccc1Br)SCCCO 62a_100011215043_100009813585 [1,1,0,0,0,0|0,2,0]=4 9159 B13R1.669 Cc1cc(ccc1Cl)CNCCO 207a_100000210304_100000698814 [1,1,0,0,0,0|2,0,0]=4 9160 B13R1.669 Cc1cc(ccc1Cl)CNCCO 2230a_100016997473_100012184735 [1,1,0,0,0,0|2,0,0]=4 9161 B13R1.669 Cc1cc(ccc1Cl)CNCCO 270004a_100000210304_100000698814 [1,1,0,0,0,0|2,0,0]=4 9162 B13R1.669 Cc1cc(ccc1Cl)CNCCO 34a_100016990907_100012184735 [1,1,0,0,0,0|2,0,0]=4 9163 B13R1.669 Cc1cc(ccc1Cl)CSCCO 62a_100000211926_100012184735 [1,1,0,0,0,0|2,0,0]=4 9164 B13R1.669 Cc1cc(ccc1Cl)CSCCO 62a_100012184735_100000211926 [1,1,0,0,0,0|2,0,0]=4 9165 B13R1.669 Cc1cc(ccc1Cl)NCCCF 2230a_100000187808_100011934791 [1,1,0,0,0,0|2,0,0]=4 9166 B13R1.669 Cc1cc(ccc1Cl)NCCCF 34a_100000187808_100011934791 [1,1,0,0,0,0|2,0,0]=4 9167 B13R1.669 Cc1cc(ccc1Cl)NCCCF 7a_100000187808_100011934791 [1,1,0,0,0,0|2,0,0]=4 9168 B13R1.669 Cc1cc(ccc1Cl)NCCCO 2230a_100000187808_100000230001 [1,1,0,0,0,0|1,0,0]=3 9169 B13R1.669 Cc1cc(ccc1Cl)NCCCO 34a_100000187808_100000230001 [1,1,0,0,0,0|1,0,0]=3 9170 B13R1.669 Cc1cc(ccc1Cl)NCCCO 7a_100000187808_100011215043 [1,1,0,0,0,0|1,0,0]=3 9171 B13R1.669 Cc1cc(ccc1Cl)OCCC#N 7a_100000211092_100000184422 [1,1,0,0,0,0|1,0,1]=4 9172 B13R1.669 Cc1cc(ccc1Cl)OCCCF 34a_100000211092_100011934791 [1,1,0,0,0,0|1,0,0]=3 9173 B13R1.669 Cc1cc(ccc1Cl)OCCCF 7a_100000211092_100011934791 [1,1,0,0,0,0|1,0,0]=3 9174 B13R1.669 Cc1cc(ccc1Cl)OCCCO 34a_100000211092_100000230001 [1,1,0,0,0,0|0,0,0]=2 9175 B13R1.669 Cc1cc(ccc1Cl)OCCCO 7a_100000211092_100011215043 [1,1,0,0,0,0|0,0,0]=2 9176 B13R1.669 Cc1cc(ccc1Cl)OCCN[13CH3] 2230a_100025718798_200025704644 [1,1,0,0,0,0|2,0,0]=4 9177 B13R1.669 Cc1cc(ccc1Cl)OCCN[13CH3] 34a_100025718798_200025704644 [1,1,0,0,0,0|2,0,0]=4 9178 B13R1.669 Cc1cc(ccc1Cl)SCCCF 62a_100000049509_100011934791 [1,1,0,0,0,0|1,1,0]=4 9179 B13R1.669 Cc1cc(ccc1Cl)SCCCF 62a_100011934791_100000049509 [1,1,0,0,0,0|1,1,0]=4 9180 B13R1.669 Cc1cc(ccc1Cl)SCCCO 62a_100000049509_100011215043 [1,1,0,0,0,0|0,1,0]=3 9181 B13R1.669 Cc1cc(ccc1Cl)SCCCO 62a_100011215043_100000049509 [1,1,0,0,0,0|0,1,0]=3 9182 B13R1.669 Cc1cc(ccc1F)NCCCO 2230a_100000750164_100000230001 [1,1,0,0,0,0|1,1,0]=4 9183 B13R1.669 Cc1cc(ccc1F)NCCCO 34a_100000750164_100000230001 [1,1,0,0,0,0|1,1,0]=4 9184 B13R1.669 Cc1cc(ccc1F)NCCCO 7a_100000750164_100011215043 [1,1,0,0,0,0|1,1,0]=4 9185 B13R1.669 Cc1cc(ccc1F)OCCCF 34a_100000751312_100011934791 [1,1,0,0,0,0|1,1,0]=4 9186 B13R1.669 Cc1cc(ccc1F)OCCCF 7a_100000751312_100011934791 [1,1,0,0,0,0|1,1,0]=4 9187 B13R1.669 Cc1cc(ccc1F)OCCCO 34a_100000751312_100000230001 [1,1,0,0,0,0|0,1,0]=3 9188 B13R1.669 Cc1cc(ccc1F)OCCCO 7a_100000751312_100011215043 [1,1,0,0,0,0|0,1,0]=3 9189 B13R1.669 Cc1cc(ccc1F)SCCCO 62a_100011215043_100011218330 [1,1,0,0,0,0|0,2,0]=4 9190 B13R1.669 Cc1cc(ccc1F)SCCCO 62a_100011218330_100011215043 [1,1,0,0,0,0|0,2,0]=4 9191 B13R1.669 Cc1cc(ccc1I)NCCCO 34a_100000198070_100000230001 [1,1,0,0,0,0|1,1,0]=4 9192 B13R1.669 Cc1cc(ccc1I)NCCCO 7a_100000198070_100011215043 [1,1,0,0,0,0|1,1,0]=4 9193 B13R1.669 Cc1cc(ccc1I)OCCCF 34a_100000729255_100011934791 [1,1,0,0,0,0|1,1,0]=4 9194 B13R1.669 Cc1cc(ccc1I)OCCCF 7a_100000729255_100011934791 [1,1,0,0,0,0|1,1,0]=4 9195 B13R1.669 Cc1cc(ccc1I)OCCCO 34a_100000729255_100000230001 [1,1,0,0,0,0|0,1,0]=3 9196 B13R1.669 Cc1cc(ccc1I)OCCCO 7a_100000729255_100011215043 [1,1,0,0,0,0|0,1,0]=3 9197 B13R1.669 Cc1cc(ccc1N)OCCCF 34a_100000756630_100011934791 [1,1,0,0,0,0|2,0,0]=4 9198 B13R1.669 Cc1cc(ccc1N)OCCCF 7a_100000756630_100011934791 [1,1,0,0,0,0|2,0,0]=4 9199 B13R1.669 Cc1cc(ccc1N)OCCCO 34a_100000756630_100000230001 [1,1,0,0,0,0|1,0,0]=3 9200 B13R1.669 Cc1cc(ccc1N)OCCCO 7a_100000756630_100011215043 [1,1,0,0,0,0|1,0,0]=3 9201 B13R1.669 Cc1cc(ccc1N)SCCCO 62a_100000211769_100011215043 [1,1,0,0,0,0|1,1,0]=4 9202 B13R1.669 Cc1cc(ccc1N)SCCCO 62a_100011215043_100000211769 [1,1,0,0,0,0|1,1,0]=4 9203 B13R1.669 Cc1cc(ccc1O)NCCCO 34a_100011218179_100000230001 [1,1,0,0,0,0|2,0,0]=4 9204 B13R1.669 Cc1cc(ccc1O)NCCCO 7a_100011218179_100011215043 [1,1,0,0,0,0|2,0,0]=4 9205 B13R1.669 Cc1cc(ccc1O)SCCCO 62a_100011215043_100000186361 [1,1,0,0,0,0|1,1,0]=4 9206 B13R1.669 Cc1cc(cnc1Br)OCCCO 34a_100012000486_100000230001 [1,1,0,0,0,0|1,1,0]=4 9207 B13R1.669 Cc1cc(cnc1Br)OCCCO 7a_100012000486_100011215043 [1,1,0,0,0,0|1,1,0]=4 9208 B13R1.669 Cc1cc(cnc1C)OCCCO 34a_100009854398_100000230001 [1,1,0,0,0,0|2,0,0]=4 9209 B13R1.669 Cc1cc(cnc1C)OCCCO 7a_100009854398_100011215043 [1,1,0,0,0,0|2,0,0]=4 9210 B13R1.669 Cc1cc(cnc1Cl)OCCCF 34a_100012002680_100011934791 [1,1,0,0,0,0|2,0,0]=4 9211 B13R1.669 Cc1cc(cnc1Cl)OCCCF 7a_100012002680_100011934791 [1,1,0,0,0,0|2,0,0]=4 9212 B13R1.669 Cc1cc(cnc1Cl)OCCCO 34a_100012002680_100000230001 [1,1,0,0,0,0|1,0,0]=3 9213 B13R1.669 Cc1cc(cnc1Cl)OCCCO 7a_100012002680_100011215043 [1,1,0,0,0,0|1,0,0]=3 9214 B13R1.669 Cc1cc(cnc1Cl)SCCCO 62a_100009922867_100011215043 [1,1,0,0,0,0|1,1,0]=4 9215 B13R1.669 Cc1cc(cnc1Cl)SCCCO 62a_100011215043_100009922867 [1,1,0,0,0,0|1,1,0]=4 9216 B13R1.669 Cc1cc(cnc1F)OCCCO 34a_100000094615_100000230001 [1,1,0,0,0,0|1,1,0]=4 9217 B13R1.669 Cc1cc(cnc1F)OCCCO 7a_100000094615_100011215043 [1,1,0,0,0,0|1,1,0]=4 9218 B13R1.669 Cc1cc(ncc1Br)OCCCO 34a_100000766222_100000230001 [1,1,0,0,0,0|1,1,0]=4 9219 B13R1.669 Cc1cc(ncc1Cl)OCCCF 34a_200000085746_100011934791 [1,1,0,0,0,0|2,0,0]=4 9220 B13R1.669 Cc1cc(ncc1Cl)OCCCO 34a_200000085746_100000230001 [1,1,0,0,0,0|1,0,0]=3 9221 B13R1.669 Cc1ccc(cc1Br)NCCCO 2230a_100000736455_100000230001 [1,1,0,0,0,0|2,0,0]=4 9222 B13R1.669 Cc1ccc(cc1Br)NCCCO 34a_100000736455_100000230001 [1,1,0,0,0,0|2,0,0]=4 9223 B13R1.669 Cc1ccc(cc1Br)NCCCO 7a_100000736455_100011215043 [1,1,0,0,0,0|2,0,0]=4 9224 B13R1.669 Cc1ccc(cc1Br)OCCCF 34a_100011380479_100011934791 [1,1,0,0,0,0|2,0,0]=4 9225 B13R1.669 Cc1ccc(cc1Br)OCCCF 7a_100011380479_100011934791 [1,1,0,0,0,0|2,0,0]=4 9226 B13R1.669 Cc1ccc(cc1Br)OCCCO 34a_100011380479_100000230001 [1,1,0,0,0,0|1,0,0]=3 9227 B13R1.669 Cc1ccc(cc1Br)OCCCO 7a_100011380479_100011215043 [1,1,0,0,0,0|1,0,0]=3 9228 B13R1.669 Cc1ccc(cc1Br)SCCCO 62a_100011215043_100011847877 [1,1,0,0,0,0|1,1,0]=4 9229 B13R1.669 Cc1ccc(cc1Br)SCCCO 62a_100011847877_100011215043 [1,1,0,0,0,0|1,1,0]=4 9230 B13R1.669 Cc1ccc(cc1C)NCCCO 2230a_100000724040_100000230001 [1,1,0,0,0,0|2,0,0]=4 9231 B13R1.669 Cc1ccc(cc1C)NCCCO 34a_100000724040_100000230001 [1,1,0,0,0,0|2,0,0]=4 9232 B13R1.669 Cc1ccc(cc1C)NCCCO 7a_100000724040_100011215043 [1,1,0,0,0,0|2,0,0]=4 9233 B13R1.669 Cc1ccc(cc1C)OCCCF 34a_100000210932_100011934791 [1,1,0,0,0,0|2,0,0]=4 9234 B13R1.669 Cc1ccc(cc1C)OCCCF 7a_100000210932_100011934791 [1,1,0,0,0,0|2,0,0]=4 9235 B13R1.669 Cc1ccc(cc1C)OCCCO 34a_100000210932_100000230001 [1,1,0,0,0,0|1,0,0]=3 9236 B13R1.669 Cc1ccc(cc1C)OCCCO 7a_100000210932_100011215043 [1,1,0,0,0,0|1,0,0]=3 9237 B13R1.669 Cc1ccc(cc1C)SCCCO 62a_100011215043_100011215607 [1,1,0,0,0,0|1,1,0]=4 9238 B13R1.669 Cc1ccc(cc1C)SCCCO 62a_100011215607_100011215043 [1,1,0,0,0,0|1,1,0]=4 9239 B13R1.669 Cc1ccc(cc1Cl)NCCCO 2230a_100000188892_100000230001 [1,1,0,0,0,0|2,0,0]=4 9240 B13R1.669 Cc1ccc(cc1Cl)NCCCO 34a_100000188892_100000230001 [1,1,0,0,0,0|2,0,0]=4 9241 B13R1.669 Cc1ccc(cc1Cl)NCCCO 7a_100000188892_100011215043 [1,1,0,0,0,0|2,0,0]=4 9242 B13R1.669 Cc1ccc(cc1Cl)OCCCF 34a_100011265682_100011934791 [1,1,0,0,0,0|2,0,0]=4 9243 B13R1.669 Cc1ccc(cc1Cl)OCCCF 7a_100011265682_100011934791 [1,1,0,0,0,0|2,0,0]=4 9244 B13R1.669 Cc1ccc(cc1Cl)OCCCO 34a_100011265682_100000230001 [1,1,0,0,0,0|1,0,0]=3 9245 B13R1.669 Cc1ccc(cc1Cl)OCCCO 7a_100011265682_100011215043 [1,1,0,0,0,0|1,0,0]=3 9246 B13R1.669 Cc1ccc(cc1Cl)SCCCO 62a_100011215043_100011216363 [1,1,0,0,0,0|1,1,0]=4 9247 B13R1.669 Cc1ccc(cc1Cl)SCCCO 62a_100011216363_100011215043 [1,1,0,0,0,0|1,1,0]=4 9248 B13R1.669 Cc1ccc(cc1F)NCCCO 2230a_100000210958_100000230001 [1,1,0,0,0,0|2,0,0]=4 9249 B13R1.669 Cc1ccc(cc1F)NCCCO 34a_100000210958_100000230001 [1,1,0,0,0,0|2,0,0]=4 9250 B13R1.669 Cc1ccc(cc1F)NCCCO 7a_100000210958_100011215043 [1,1,0,0,0,0|2,0,0]=4 9251 B13R1.669 Cc1ccc(cc1F)OCCCF 34a_100000722560_100011934791 [1,1,0,0,0,0|2,0,0]=4 9252 B13R1.669 Cc1ccc(cc1F)OCCCF 7a_100000722560_100011934791 [1,1,0,0,0,0|2,0,0]=4 9253 B13R1.669 Cc1ccc(cc1F)OCCCO 34a_100000722560_100000230001 [1,1,0,0,0,0|1,0,0]=3 9254 B13R1.669 Cc1ccc(cc1F)OCCCO 7a_100000722560_100011215043 [1,1,0,0,0,0|1,0,0]=3 9255 B13R1.669 Cc1ccc(cc1F)SCCCO 62a_100000720648_100011215043 [1,1,0,0,0,0|1,1,0]=4 9256 B13R1.669 Cc1ccc(cc1F)SCCCO 62a_100011215043_100000720648 [1,1,0,0,0,0|1,1,0]=4 9257 B13R1.669 Cc1ccc(cc1I)NCCCO 34a_100000184131_100000230001 [1,1,0,0,0,0|2,0,0]=4 9258 B13R1.669 Cc1ccc(cc1I)NCCCO 7a_100000184131_100011215043 [1,1,0,0,0,0|2,0,0]=4 9259 B13R1.669 Cc1ccc(cc1N)OCCCF 34a_100011216113_100011934791 [1,1,0,0,0,0|2,0,0]=4 9260 B13R1.669 Cc1ccc(cc1N)OCCCF 7a_100011216113_100011934791 [1,1,0,0,0,0|2,0,0]=4 9261 B13R1.669 Cc1ccc(cc1N)OCCCO 34a_100011216113_100000230001 [1,1,0,0,0,0|1,0,0]=3 9262 B13R1.669 Cc1ccc(cc1N)OCCCO 7a_100011216113_100011215043 [1,1,0,0,0,0|1,0,0]=3 9263 B13R1.669 Cc1ccc(cc1N)SCCCO 62a_100000761890_100011215043 [1,1,0,0,0,0|1,1,0]=4 9264 B13R1.669 Cc1ccc(cc1N)SCCCO 62a_100011215043_100000761890 [1,1,0,0,0,0|1,1,0]=4 9265 B13R1.669 Cc1ccc(cc1O)NCCCO 34a_100000759471_100000230001 [1,1,0,0,0,0|2,0,0]=4 9266 B13R1.669 Cc1ccc(cc1O)NCCCO 7a_100000759471_100011215043 [1,1,0,0,0,0|2,0,0]=4 9267 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100000685420_100011215043 [1,1,0,0,0,0|1,1,0]=4 9268 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100011215043_100000685420 [1,1,0,0,0,0|1,1,0]=4 9269 B13R1.669 Cc1cnc(cc1Br)OCCCO 34a_100009831917_100000230001 [1,1,0,0,0,0|2,0,0]=4 9270 B13R1.669 Cc1nc(ccc1Br)OCCCO 34a_100000691680_100000230001 [1,1,0,0,0,0|1,1,0]=4 9271 B13R1.669 Cc1nc(ccc1Cl)OCCCF 34a_200009863735_100011934791 [1,1,0,0,0,0|2,0,0]=4 9272 B13R1.669 Cc1nc(ccc1Cl)OCCCO 34a_200009863735_100000230001 [1,1,0,0,0,0|1,0,0]=3 9273 B13R1.669 Cc1ncc(cc1Br)OCCCO 34a_100009819603_100000230001 [1,1,0,0,0,0|2,0,0]=4 9274 B13R1.669 Cc1ncc(cc1Br)OCCCO 7a_100009819603_100011215043 [1,1,0,0,0,0|2,0,0]=4 9275 B13R1.669 FCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011934791 [1,1,0,0,0,0|2,0,0]=4 9276 B13R1.669 FCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011934791 [1,1,0,0,0,0|2,0,0]=4 9277 B13R1.669 FCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011934791 [1,1,0,0,0,0|2,0,0]=4 9278 B13R1.669 FCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011934791 [1,1,0,0,0,0|2,0,0]=4 9279 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100011934791 [1,1,0,0,0,0|2,0,0]=4 9280 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011934791 [1,1,0,0,0,0|2,0,0]=4 9281 B13R1.669 FCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011934791 [1,1,0,0,0,0|2,0,0]=4 9282 B13R1.669 FCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011934791 [1,1,0,0,0,0|2,0,0]=4 9283 B13R1.669 FCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011934791 [1,1,0,0,0,0|2,0,0]=4 9284 B13R1.669 FCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011934791 [1,1,0,0,0,0|1,0,0]=3 9285 B13R1.669 FCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011934791 [1,1,0,0,0,0|1,0,0]=3 9286 B13R1.669 FCCCOc1ccc(c(c1)Br)F 34a_100000693481_100011934791 [1,1,0,0,0,0|1,1,0]=4 9287 B13R1.669 FCCCOc1ccc(c(c1)Br)F 7a_100000693481_100011934791 [1,1,0,0,0,0|1,1,0]=4 9288 B13R1.669 FCCCOc1ccc(c(c1)Br)I 34a_100000701344_100011934791 [1,1,0,0,0,0|1,1,0]=4 9289 B13R1.669 FCCCOc1ccc(c(c1)Br)I 7a_100000701344_100011934791 [1,1,0,0,0,0|1,1,0]=4 9290 B13R1.669 FCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011934791 [1,1,0,0,0,0|1,1,0]=4 9291 B13R1.669 FCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011934791 [1,1,0,0,0,0|1,1,0]=4 9292 B13R1.669 FCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011934791 [1,1,0,0,0,0|1,0,0]=3 9293 B13R1.669 FCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011934791 [1,1,0,0,0,0|1,0,0]=3 9294 B13R1.669 FCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011934791 [1,1,0,0,0,0|1,1,0]=4 9295 B13R1.669 FCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011934791 [1,1,0,0,0,0|1,1,0]=4 9296 B13R1.669 FCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011934791 [1,1,0,0,0,0|1,1,0]=4 9297 B13R1.669 FCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011934791 [1,1,0,0,0,0|1,1,0]=4 9298 B13R1.669 FCCCOc1ccc(c(c1)F)Br 34a_100000755031_100011934791 [1,1,0,0,0,0|1,1,0]=4 9299 B13R1.669 FCCCOc1ccc(c(c1)F)Br 7a_100000755031_100011934791 [1,1,0,0,0,0|1,1,0]=4 9300 B13R1.669 FCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011934791 [1,1,0,0,0,0|1,0,0]=3 9301 B13R1.669 FCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011934791 [1,1,0,0,0,0|1,0,0]=3 9302 B13R1.669 FCCCOc1ccc(c(c1)F)F 34a_100000181275_100011934791 [1,1,0,0,0,0|1,1,0]=4 9303 B13R1.669 FCCCOc1ccc(c(c1)F)F 7a_100000181275_100011934791 [1,1,0,0,0,0|1,1,0]=4 9304 B13R1.669 FCCCOc1ccc(c(c1)F)I 34a_100009990212_100011934791 [1,1,0,0,0,0|1,1,0]=4 9305 B13R1.669 FCCCOc1ccc(c(c1)F)I 7a_100009990212_100011934791 [1,1,0,0,0,0|1,1,0]=4 9306 B13R1.669 FCCCOc1ccc(c(c1)I)Br 34a_100012339312_100011934791 [1,1,0,0,0,0|1,1,0]=4 9307 B13R1.669 FCCCOc1ccc(c(c1)I)Br 7a_100012339312_100011934791 [1,1,0,0,0,0|1,1,0]=4 9308 B13R1.669 FCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011934791 [1,1,0,0,0,0|1,0,0]=3 9309 B13R1.669 FCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011934791 [1,1,0,0,0,0|1,0,0]=3 9310 B13R1.669 FCCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100011934791 [1,1,0,0,0,0|2,0,0]=4 9311 B13R1.669 FCCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100011934791 [1,1,0,0,0,0|2,0,0]=4 9312 B13R1.669 FCCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100011934791 [1,1,0,0,0,0|2,0,0]=4 9313 B13R1.669 FCCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100011934791 [1,1,0,0,0,0|2,0,0]=4 9314 B13R1.669 FCCCOc1cnc(c(c1)F)Cl 34a_100000063512_100011934791 [1,1,0,0,0,0|2,0,0]=4 9315 B13R1.669 FCCCOc1cnc(c(c1)F)Cl 7a_100000063512_100011934791 [1,1,0,0,0,0|2,0,0]=4 9316 B13R1.669 FCCCSc1ccc(c(c1)Br)Cl 62a_100011934791_100012353702 [1,1,0,0,0,0|1,1,0]=4 9317 B13R1.669 FCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011934791 [1,1,0,0,0,0|1,1,0]=4 9318 B13R1.669 FCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011934791 [1,1,0,0,0,0|1,1,0]=4 9319 B13R1.669 FCCCSc1ccc(c(c1)Cl)Cl 62a_100011934791_100011214914 [1,1,0,0,0,0|1,1,0]=4 9320 B13R1.669 FCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011934791 [1,1,0,0,0,0|1,1,0]=4 9321 B13R1.669 FCCCSc1ccc(c(c1)F)Cl 62a_100011934791_100011216805 [1,1,0,0,0,0|1,1,0]=4 9322 B13R1.669 N#CCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000184422 [1,1,0,0,0,0|1,0,1]=4 9323 B13R1.669 N#CCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000184422 [1,1,0,0,0,0|1,0,1]=4 9324 B13R1.669 N#CCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000184422 [1,1,0,0,0,0|1,0,1]=4 9325 B13R1.669 N#CCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000184422 [1,1,0,0,0,0|1,0,1]=4 9326 B13R1.669 Nc1cc(ccc1Br)OCCCF 34a_100011999798_100011934791 [1,1,0,0,0,0|1,1,0]=4 9327 B13R1.669 Nc1cc(ccc1Br)OCCCF 7a_100011999798_100011934791 [1,1,0,0,0,0|1,1,0]=4 9328 B13R1.669 Nc1cc(ccc1Br)OCCCO 34a_100011999798_100000230001 [1,1,0,0,0,0|0,1,0]=3 9329 B13R1.669 Nc1cc(ccc1Br)OCCCO 7a_100011999798_100011215043 [1,1,0,0,0,0|0,1,0]=3 9330 B13R1.669 Nc1cc(ccc1Br)SCCCO 62a_100000750456_100011215043 [1,1,0,0,0,0|0,2,0]=4 9331 B13R1.669 Nc1cc(ccc1Br)SCCCO 62a_100011215043_100000750456 [1,1,0,0,0,0|0,2,0]=4 9332 B13R1.669 Nc1cc(ccc1Cl)COCCO 34a_106256033963_100000211926 [1,1,0,0,0,0|2,0,0]=4 9333 B13R1.669 Nc1cc(ccc1Cl)OCCCF 34a_100011934297_100011934791 [1,1,0,0,0,0|1,0,0]=3 9334 B13R1.669 Nc1cc(ccc1Cl)OCCCO 34a_100011934297_100000230001 [1,1,0,0,0,0|0,0,0]=2 9335 B13R1.669 Nc1cc(ccc1Cl)SCCCF 62a_100011934791_200000761891 [1,1,0,0,0,0|1,1,0]=4 9336 B13R1.669 Nc1cc(ccc1Cl)SCCCF 62a_200000761891_100011934791 [1,1,0,0,0,0|1,1,0]=4 9337 B13R1.669 Nc1cc(ccc1Cl)SCCCO 62a_100011215043_200000761891 [1,1,0,0,0,0|0,1,0]=3 9338 B13R1.669 Nc1cc(ccc1Cl)SCCCO 62a_200000761891_100011215043 [1,1,0,0,0,0|0,1,0]=3 9339 B13R1.669 Nc1cc(ccc1F)OCCCF 34a_100012017239_100011934791 [1,1,0,0,0,0|1,1,0]=4 9340 B13R1.669 Nc1cc(ccc1F)OCCCF 7a_100012017239_100011934791 [1,1,0,0,0,0|1,1,0]=4 9341 B13R1.669 Nc1cc(ccc1F)OCCCO 34a_100012017239_100000230001 [1,1,0,0,0,0|0,1,0]=3 9342 B13R1.669 Nc1cc(ccc1F)OCCCO 7a_100012017239_100011215043 [1,1,0,0,0,0|0,1,0]=3 9343 B13R1.669 Nc1cc(ccc1F)SCCCO 62a_100000740924_100011215043 [1,1,0,0,0,0|0,2,0]=4 9344 B13R1.669 Nc1cc(ccc1F)SCCCO 62a_100011215043_100000740924 [1,1,0,0,0,0|0,2,0]=4 9345 B13R1.669 Nc1cc(ccc1O)SCCCO 62a_100000752626_100011215043 [1,1,0,0,0,0|1,1,0]=4 9346 B13R1.669 Nc1cc(ccc1O)SCCCO 62a_100011215043_100000752626 [1,1,0,0,0,0|1,1,0]=4 9347 B13R1.669 Nc1cc(cnc1Cl)SCCCO 62a_100009828400_100011215043 [1,1,0,0,0,0|1,1,0]=4 9348 B13R1.669 Nc1cc(cnc1Cl)SCCCO 62a_100011215043_100009828400 [1,1,0,0,0,0|1,1,0]=4 9349 B13R1.669 Nc1ccc(cc1Br)OCCCF 34a_100012001276_100011934791 [1,1,0,0,0,0|2,0,0]=4 9350 B13R1.669 Nc1ccc(cc1Br)OCCCF 7a_100012001276_100011934791 [1,1,0,0,0,0|2,0,0]=4 9351 B13R1.669 Nc1ccc(cc1Br)OCCCO 34a_100012001276_100000230001 [1,1,0,0,0,0|1,0,0]=3 9352 B13R1.669 Nc1ccc(cc1Br)OCCCO 7a_100012001276_100011215043 [1,1,0,0,0,0|1,0,0]=3 9353 B13R1.669 Nc1ccc(cc1Br)SCCCO 62a_100000750455_100011215043 [1,1,0,0,0,0|1,1,0]=4 9354 B13R1.669 Nc1ccc(cc1Br)SCCCO 62a_100011215043_100000750455 [1,1,0,0,0,0|1,1,0]=4 9355 B13R1.669 Nc1ccc(cc1Cl)OCCCF 34a_100011215599_100011934791 [1,1,0,0,0,0|2,0,0]=4 9356 B13R1.669 Nc1ccc(cc1Cl)OCCCF 7a_100011215599_100011934791 [1,1,0,0,0,0|2,0,0]=4 9357 B13R1.669 Nc1ccc(cc1Cl)OCCCO 34a_100011215599_100000230001 [1,1,0,0,0,0|1,0,0]=3 9358 B13R1.669 Nc1ccc(cc1Cl)OCCCO 7a_100011215599_100011215043 [1,1,0,0,0,0|1,0,0]=3 9359 B13R1.669 Nc1ccc(cc1Cl)SCCCO 62a_100011215043_100011218065 [1,1,0,0,0,0|1,1,0]=4 9360 B13R1.669 Nc1ccc(cc1Cl)SCCCO 62a_100011218065_100011215043 [1,1,0,0,0,0|1,1,0]=4 9361 B13R1.669 Nc1ccc(cc1F)OCCCF 34a_100000759473_100011934791 [1,1,0,0,0,0|2,0,0]=4 9362 B13R1.669 Nc1ccc(cc1F)OCCCF 7a_100000759473_100011934791 [1,1,0,0,0,0|2,0,0]=4 9363 B13R1.669 Nc1ccc(cc1F)OCCCO 34a_100000759473_100000230001 [1,1,0,0,0,0|1,0,0]=3 9364 B13R1.669 Nc1ccc(cc1F)OCCCO 7a_100000759473_100011215043 [1,1,0,0,0,0|1,0,0]=3 9365 B13R1.669 Nc1ccc(cc1F)SCCCO 62a_100011215043_100011215594 [1,1,0,0,0,0|1,1,0]=4 9366 B13R1.669 Nc1ccc(cc1F)SCCCO 62a_100011215594_100011215043 [1,1,0,0,0,0|1,1,0]=4 9367 B13R1.669 Nc1ccc(cc1I)OCCCF 34a_100010084370_100011934791 [1,1,0,0,0,0|2,0,0]=4 9368 B13R1.669 Nc1ccc(cc1I)OCCCF 7a_100010084370_100011934791 [1,1,0,0,0,0|2,0,0]=4 9369 B13R1.669 Nc1ccc(cc1I)OCCCO 34a_100010084370_100000230001 [1,1,0,0,0,0|1,0,0]=3 9370 B13R1.669 Nc1ccc(cc1I)OCCCO 7a_100010084370_100011215043 [1,1,0,0,0,0|1,0,0]=3 9371 B13R1.669 Nc1ccc(cc1N)OCCCF 34a_100025771000_100011934791 [1,1,0,0,0,0|2,0,0]=4 9372 B13R1.669 Nc1ccc(cc1N)OCCCO 34a_100025771000_100000230001 [1,1,0,0,0,0|1,0,0]=3 9373 B13R1.669 Nc1ccc(cc1N)SCCCO 62a_100000741789_100011215043 [1,1,0,0,0,0|1,1,0]=4 9374 B13R1.669 Nc1ccc(cc1N)SCCCO 62a_100011215043_100011534411 [1,1,0,0,0,0|1,1,0]=4 9375 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100000739049_100011215043 [1,1,0,0,0,0|1,1,0]=4 9376 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100011215043_100000739049 [1,1,0,0,0,0|1,1,0]=4 9377 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000230001 [1,1,0,0,0,0|1,1,0]=4 9378 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000230001 [1,1,0,0,0,0|1,1,0]=4 9379 B13R1.669 OCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100011215043 [1,1,0,0,0,0|1,1,0]=4 9380 B13R1.669 OCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000230001 [1,1,0,0,0,0|1,0,0]=3 9381 B13R1.669 OCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000230001 [1,1,0,0,0,0|1,0,0]=3 9382 B13R1.669 OCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000230001 [1,1,0,0,0,0|1,1,0]=4 9383 B13R1.669 OCCCNc1ccc(c(c1)Br)F 34a_100000760356_100000230001 [1,1,0,0,0,0|1,1,0]=4 9384 B13R1.669 OCCCNc1ccc(c(c1)Br)F 7a_100000760356_100011215043 [1,1,0,0,0,0|1,1,0]=4 9385 B13R1.669 OCCCNc1ccc(c(c1)Br)I 34a_100000750458_100000230001 [1,1,0,0,0,0|1,1,0]=4 9386 B13R1.669 OCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000230001 [1,1,0,0,0,0|2,0,0]=4 9387 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000230001 [1,1,0,0,0,0|1,1,0]=4 9388 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000230001 [1,1,0,0,0,0|1,1,0]=4 9389 B13R1.669 OCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100011215043 [1,1,0,0,0,0|1,1,0]=4 9390 B13R1.669 OCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000230001 [1,1,0,0,0,0|1,0,0]=3 9391 B13R1.669 OCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000230001 [1,1,0,0,0,0|1,0,0]=3 9392 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000230001 [1,1,0,0,0,0|1,1,0]=4 9393 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000230001 [1,1,0,0,0,0|1,1,0]=4 9394 B13R1.669 OCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100011215043 [1,1,0,0,0,0|1,1,0]=4 9395 B13R1.669 OCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000230001 [1,1,0,0,0,0|1,1,0]=4 9396 B13R1.669 OCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000230001 [1,1,0,0,0,0|2,0,0]=4 9397 B13R1.669 OCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000230001 [1,1,0,0,0,0|1,1,0]=4 9398 B13R1.669 OCCCNc1ccc(c(c1)F)Br 34a_100000759894_100000230001 [1,1,0,0,0,0|1,1,0]=4 9399 B13R1.669 OCCCNc1ccc(c(c1)F)Br 7a_100000759894_100011215043 [1,1,0,0,0,0|1,1,0]=4 9400 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000230001 [1,1,0,0,0,0|1,0,0]=3 9401 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000230001 [1,1,0,0,0,0|1,0,0]=3 9402 B13R1.669 OCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100011215043 [1,1,0,0,0,0|1,0,0]=3 9403 B13R1.669 OCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000230001 [1,1,0,0,0,0|1,1,0]=4 9404 B13R1.669 OCCCNc1ccc(c(c1)F)F 34a_100000210724_100000230001 [1,1,0,0,0,0|1,1,0]=4 9405 B13R1.669 OCCCNc1ccc(c(c1)F)F 7a_100000210724_100011215043 [1,1,0,0,0,0|1,1,0]=4 9406 B13R1.669 OCCCNc1ccc(c(c1)F)I 34a_100011356925_100000230001 [1,1,0,0,0,0|1,1,0]=4 9407 B13R1.669 OCCCNc1ccc(c(c1)F)I 7a_100011356925_100011215043 [1,1,0,0,0,0|1,1,0]=4 9408 B13R1.669 OCCCNc1ccc(c(c1)F)O 34a_100011220035_100000230001 [1,1,0,0,0,0|2,0,0]=4 9409 B13R1.669 OCCCNc1ccc(c(c1)F)O 7a_100011220035_100011215043 [1,1,0,0,0,0|2,0,0]=4 9410 B13R1.669 OCCCNc1ccc(c(c1)I)Br 34a_100000750459_100000230001 [1,1,0,0,0,0|1,1,0]=4 9411 B13R1.669 OCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000230001 [1,1,0,0,0,0|1,0,0]=3 9412 B13R1.669 OCCCNc1ccc(c(c1)I)F 34a_114828291077_100000230001 [1,1,0,0,0,0|1,1,0]=4 9413 B13R1.669 OCCCNc1ccc(c(c1)I)F 7a_114828291077_100011215043 [1,1,0,0,0,0|1,1,0]=4 9414 B13R1.669 OCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000230001 [1,1,0,0,0,0|1,0,0]=3 9415 B13R1.669 OCCCNc1ccc(c(c1)O)F 34a_100012017398_100000230001 [1,1,0,0,0,0|1,1,0]=4 9416 B13R1.669 OCCCNc1ccc(c(c1)O)F 7a_100012017398_100011215043 [1,1,0,0,0,0|1,1,0]=4 9417 B13R1.669 OCCCNc1ccc(c(c1)O)O 34a_100102946323_100000230001 [1,1,0,0,0,0|2,0,0]=4 9418 B13R1.669 OCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000230001 [1,1,0,0,0,0|1,1,0]=4 9419 B13R1.669 OCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000230001 [1,1,0,0,0,0|1,0,0]=3 9420 B13R1.669 OCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000230001 [1,1,0,0,0,0|0,0,0]=2 9421 B13R1.669 OCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100011215043 [1,1,0,0,0,0|0,0,0]=2 9422 B13R1.669 OCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000230001 [1,1,0,0,0,0|0,1,0]=3 9423 B13R1.669 OCCCOc1ccc(c(c1)Br)F 7a_100000693481_100011215043 [1,1,0,0,0,0|0,1,0]=3 9424 B13R1.669 OCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000230001 [1,1,0,0,0,0|0,1,0]=3 9425 B13R1.669 OCCCOc1ccc(c(c1)Br)I 7a_100000701344_100011215043 [1,1,0,0,0,0|0,1,0]=3 9426 B13R1.669 OCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000230001 [1,1,0,0,0,0|0,1,0]=3 9427 B13R1.669 OCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100011215043 [1,1,0,0,0,0|0,1,0]=3 9428 B13R1.669 OCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000230001 [1,1,0,0,0,0|0,0,0]=2 9429 B13R1.669 OCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215043 [1,1,0,0,0,0|0,0,0]=2 9430 B13R1.669 OCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000230001 [1,1,0,0,0,0|0,1,0]=3 9431 B13R1.669 OCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100011215043 [1,1,0,0,0,0|0,1,0]=3 9432 B13R1.669 OCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000230001 [1,1,0,0,0,0|0,1,0]=3 9433 B13R1.669 OCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100011215043 [1,1,0,0,0,0|0,1,0]=3 9434 B13R1.669 OCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000230001 [1,1,0,0,0,0|0,1,0]=3 9435 B13R1.669 OCCCOc1ccc(c(c1)F)Br 7a_100000755031_100011215043 [1,1,0,0,0,0|0,1,0]=3 9436 B13R1.669 OCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000230001 [1,1,0,0,0,0|0,0,0]=2 9437 B13R1.669 OCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100011215043 [1,1,0,0,0,0|0,0,0]=2 9438 B13R1.669 OCCCOc1ccc(c(c1)F)F 34a_100000181275_100000230001 [1,1,0,0,0,0|0,1,0]=3 9439 B13R1.669 OCCCOc1ccc(c(c1)F)F 7a_100000181275_100011215043 [1,1,0,0,0,0|0,1,0]=3 9440 B13R1.669 OCCCOc1ccc(c(c1)F)I 34a_100009990212_100000230001 [1,1,0,0,0,0|0,1,0]=3 9441 B13R1.669 OCCCOc1ccc(c(c1)F)I 7a_100009990212_100011215043 [1,1,0,0,0,0|0,1,0]=3 9442 B13R1.669 OCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000230001 [1,1,0,0,0,0|0,1,0]=3 9443 B13R1.669 OCCCOc1ccc(c(c1)I)Br 7a_100012339312_100011215043 [1,1,0,0,0,0|0,1,0]=3 9444 B13R1.669 OCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000230001 [1,1,0,0,0,0|0,0,0]=2 9445 B13R1.669 OCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100011215043 [1,1,0,0,0,0|0,0,0]=2 9446 B13R1.669 OCCCOc1ccc(c(n1)F)Br 34a_100009879308_100000230001 [1,1,0,0,0,0|1,1,0]=4 9447 B13R1.669 OCCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100000230001 [1,1,0,0,0,0|1,0,0]=3 9448 B13R1.669 OCCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100011215043 [1,1,0,0,0,0|1,0,0]=3 9449 B13R1.669 OCCCOc1cnc(c(c1)Br)F 34a_100009817267_100000230001 [1,1,0,0,0,0|1,1,0]=4 9450 B13R1.669 OCCCOc1cnc(c(c1)Br)F 7a_100009817267_100011215043 [1,1,0,0,0,0|1,1,0]=4 9451 B13R1.669 OCCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100000230001 [1,1,0,0,0,0|1,1,0]=4 9452 B13R1.669 OCCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100011215043 [1,1,0,0,0,0|1,1,0]=4 9453 B13R1.669 OCCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100000230001 [1,1,0,0,0,0|1,0,0]=3 9454 B13R1.669 OCCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100011215043 [1,1,0,0,0,0|1,0,0]=3 9455 B13R1.669 OCCCOc1cnc(c(c1)Cl)F 34a_100000087088_100000230001 [1,1,0,0,0,0|1,1,0]=4 9456 B13R1.669 OCCCOc1cnc(c(c1)Cl)F 7a_100000087088_100011215043 [1,1,0,0,0,0|1,1,0]=4 9457 B13R1.669 OCCCOc1cnc(c(c1)F)Cl 34a_100000063512_100000230001 [1,1,0,0,0,0|1,0,0]=3 9458 B13R1.669 OCCCOc1cnc(c(c1)F)Cl 7a_100000063512_100011215043 [1,1,0,0,0,0|1,0,0]=3 9459 B13R1.669 OCCCSc1ccc(c(c1)Br)Br 62a_100011215043_100012356285 [1,1,0,0,0,0|0,2,0]=4 9460 B13R1.669 OCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100011215043 [1,1,0,0,0,0|0,2,0]=4 9461 B13R1.669 OCCCSc1ccc(c(c1)Br)Cl 62a_100011215043_100012353702 [1,1,0,0,0,0|0,1,0]=3 9462 B13R1.669 OCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100011215043 [1,1,0,0,0,0|0,1,0]=3 9463 B13R1.669 OCCCSc1ccc(c(c1)Br)F 62a_100011215043_100012047266 [1,1,0,0,0,0|0,2,0]=4 9464 B13R1.669 OCCCSc1ccc(c(c1)Br)F 62a_100012047266_100011215043 [1,1,0,0,0,0|0,2,0]=4 9465 B13R1.669 OCCCSc1ccc(c(c1)Br)O 62a_100011215043_100012361655 [1,1,0,0,0,0|1,1,0]=4 9466 B13R1.669 OCCCSc1ccc(c(c1)Br)O 62a_100012361655_100011215043 [1,1,0,0,0,0|1,1,0]=4 9467 B13R1.669 OCCCSc1ccc(c(c1)Cl)Br 62a_100011215043_100012047281 [1,1,0,0,0,0|0,2,0]=4 9468 B13R1.669 OCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100011215043 [1,1,0,0,0,0|0,2,0]=4 9469 B13R1.669 OCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011215043 [1,1,0,0,0,0|0,1,0]=3 9470 B13R1.669 OCCCSc1ccc(c(c1)Cl)Cl 62a_100011215043_100011214914 [1,1,0,0,0,0|0,1,0]=3 9471 B13R1.669 OCCCSc1ccc(c(c1)Cl)F 62a_100011215043_100011215976 [1,1,0,0,0,0|0,2,0]=4 9472 B13R1.669 OCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100011215043 [1,1,0,0,0,0|0,2,0]=4 9473 B13R1.669 OCCCSc1ccc(c(c1)Cl)O 62a_100011215043_100012360047 [1,1,0,0,0,0|1,1,0]=4 9474 B13R1.669 OCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100011215043 [1,1,0,0,0,0|1,1,0]=4 9475 B13R1.669 OCCCSc1ccc(c(c1)F)Br 62a_100000685389_100011215043 [1,1,0,0,0,0|0,2,0]=4 9476 B13R1.669 OCCCSc1ccc(c(c1)F)Br 62a_100011215043_100000685389 [1,1,0,0,0,0|0,2,0]=4 9477 B13R1.669 OCCCSc1ccc(c(c1)F)Cl 62a_100011215043_100011216805 [1,1,0,0,0,0|0,1,0]=3 9478 B13R1.669 OCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100011215043 [1,1,0,0,0,0|0,1,0]=3 9479 B13R1.669 OCCCSc1ccc(c(c1)F)F 62a_100000703953_100011215043 [1,1,0,0,0,0|0,2,0]=4 9480 B13R1.669 OCCCSc1ccc(c(c1)F)F 62a_100011215043_100000703953 [1,1,0,0,0,0|0,2,0]=4 9481 B13R1.669 OCCCSc1ccc(c(c1)F)O 62a_100000185481_100011215043 [1,1,0,0,0,0|1,1,0]=4 9482 B13R1.669 OCCCSc1ccc(c(c1)F)O 62a_100011215043_100000185481 [1,1,0,0,0,0|1,1,0]=4 9483 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100011215043_100012356990 [1,1,0,0,0,0|0,2,0]=4 9484 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100012356990_100011215043 [1,1,0,0,0,0|0,2,0]=4 9485 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011215043_100011356854 [1,1,0,0,0,0|0,1,0]=3 9486 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100011215043 [1,1,0,0,0,0|0,1,0]=3 9487 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100000686035_100011215043 [1,1,0,0,0,0|0,2,0]=4 9488 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100011215043_100000686035 [1,1,0,0,0,0|0,2,0]=4 9489 B13R1.669 OCCCSc1ccc(c(c1)O)O 62a_100011215043_100009813601 [1,1,0,0,0,0|1,1,0]=4 9490 B13R1.669 OCCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100011215043 [1,1,0,0,0,0|1,1,0]=4 9491 B13R1.669 OCCCSc1cnc(c(c1)Br)Cl 62a_100011215043_100010172733 [1,1,0,0,0,0|1,1,0]=4 9492 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 207a_100000210304_100000693810 [1,1,0,0,0,0|2,0,0]=4 9493 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000211926 [1,1,0,0,0,0|2,0,0]=4 9494 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 2230a_100016997473_100012353894 [1,1,0,0,0,0|2,0,0]=4 9495 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 270004a_100000210304_100000693810 [1,1,0,0,0,0|2,0,0]=4 9496 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000211926 [1,1,0,0,0,0|2,0,0]=4 9497 B13R1.669 OCCNCc1ccc(c(c1)Br)Cl 34a_100016990907_100012353894 [1,1,0,0,0,0|2,0,0]=4 9498 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 207a_100000210304_100000188533 [1,1,0,0,0,0|2,0,0]=4 9499 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000211926 [1,1,0,0,0,0|2,0,0]=4 9500 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 2230a_100016997473_100000184707 [1,1,0,0,0,0|2,0,0]=4 9501 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 270004a_100000210304_100000188533 [1,1,0,0,0,0|2,0,0]=4 9502 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000211926 [1,1,0,0,0,0|2,0,0]=4 9503 B13R1.669 OCCNCc1ccc(c(c1)Cl)Cl 34a_100016990907_100000184707 [1,1,0,0,0,0|2,0,0]=4 9504 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 207a_100000210304_100000745630 [1,1,0,0,0,0|2,0,0]=4 9505 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000211926 [1,1,0,0,0,0|2,0,0]=4 9506 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 2230a_100016997473_100000716492 [1,1,0,0,0,0|2,0,0]=4 9507 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 270004a_100000210304_100000745630 [1,1,0,0,0,0|2,0,0]=4 9508 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000211926 [1,1,0,0,0,0|2,0,0]=4 9509 B13R1.669 OCCNCc1ccc(c(c1)F)Cl 34a_100016990907_100011519011 [1,1,0,0,0,0|2,0,0]=4 9510 B13R1.669 OCCNCc1ccc(c(c1)I)Cl 207a_100000210304_100010209939 [1,1,0,0,0,0|2,0,0]=4 9511 B13R1.669 OCCNCc1ccc(c(c1)I)Cl 270004a_100000210304_100010209939 [1,1,0,0,0,0|2,0,0]=4 9512 B13R1.669 OCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000211926 [1,1,0,0,0,0|2,0,0]=4 9513 B13R1.669 OCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000211926 [1,1,0,0,0,0|2,0,0]=4 9514 B13R1.669 OCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000211926 [1,1,0,0,0,0|2,0,0]=4 9515 B13R1.669 OCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000211926 [1,1,0,0,0,0|2,0,0]=4 9516 B13R1.669 OCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000211926 [1,1,0,0,0,0|2,0,0]=4 9517 B13R1.669 OCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000211926 [1,1,0,0,0,0|2,0,0]=4 9518 B13R1.669 OCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000211926 [1,1,0,0,0,0|2,0,0]=4 9519 B13R1.669 OCCSCc1ccc(c(c1)Br)Cl 62a_100000211926_100012353894 [1,1,0,0,0,0|2,0,0]=4 9520 B13R1.669 OCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000211926 [1,1,0,0,0,0|2,0,0]=4 9521 B13R1.669 OCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000211926 [1,1,0,0,0,0|2,0,0]=4 9522 B13R1.669 OCCSCc1ccc(c(c1)Cl)Cl 62a_100000211926_100000184707 [1,1,0,0,0,0|2,0,0]=4 9523 B13R1.669 OCCSCc1ccc(c(c1)F)Cl 62a_100000211926_100000716492 [1,1,0,0,0,0|2,0,0]=4 9524 B13R1.669 OCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000211926 [1,1,0,0,0,0|2,0,0]=4 9525 B13R1.669 Oc1cc(ccc1Cl)NCCCF 34a_100011934209_100011934791 [1,1,0,0,0,0|2,0,0]=4 9526 B13R1.669 Oc1cc(ccc1Cl)SCCCF 62a_100011356854_100011934791 [1,1,0,0,0,0|1,1,0]=4 9527 B13R1.669 Oc1cc(ccc1Cl)SCCCF 62a_100011934791_100011356854 [1,1,0,0,0,0|1,1,0]=4 9528 B13R1.669 [13CH3]NCCOc1ccc(c(c1)Cl)Cl 2230a_100015199673_200025704644 [1,1,0,0,0,0|2,0,0]=4 9529 B13R1.669 [13CH3]NCCOc1ccc(c(c1)Cl)Cl 34a_100015199673_200025704644 [1,1,0,0,0,0|2,0,0]=4 9530 B13R1.3 C#Cc1ccc(cc1)NCC(C)O 34a_100011215031_100011218427 [1,1,0,0,0,0|2,0,0]=4 9531 B13R1.3 C#Cc1ccc(cc1)NC[C@@H](C)O 34a_100011215031_100009817552 [1,1,0,0,0,0|2,0,0]=4 9532 B13R1.3 C#Cc1ccc(nc1)OCC(C)O 34a_200009884252_100011218427 [1,1,0,0,0,0|2,0,0]=4 9533 B13R1.3 C#Cc1ccc(nc1)OC[C@@H](C)O 34a_200009884252_100009817552 [1,1,0,0,0,0|2,0,0]=4 9534 B13R1.3 C=Cc1ccc(cc1)NCC(C)O 34a_100011218248_100011218427 [1,1,0,0,0,0|2,0,0]=4 9535 B13R1.3 C=Cc1ccc(cc1)NC[C@@H](C)O 34a_100011218248_100009817552 [1,1,0,0,0,0|2,0,0]=4 9536 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 271570a_100011290941_200000169949 [1,1,0,0,0,0|2,0,0]=4 9537 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 34a_100000189437_100000210624 [1,1,0,0,0,0|2,0,0]=4 9538 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 7a_100000189437_100000210760 [1,1,0,0,0,0|2,0,0]=4 9539 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 34a_100000189437_100011218427 [1,1,0,0,0,0|1,0,0]=3 9540 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 7a_100000189437_100011218427 [1,1,0,0,0,0|1,0,0]=3 9541 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 34a_100000189437_100009817552 [1,1,0,0,0,0|1,0,0]=3 9542 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 7a_100000189437_100009817552 [1,1,0,0,0,0|1,0,0]=3 9543 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100000748128_100011218427 [1,1,0,0,0,0|1,1,0]=4 9544 B13R1.3 C=Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000748128 [1,1,0,0,0,0|1,1,0]=4 9545 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100000748128_100009817552 [1,1,0,0,0,0|1,1,0]=4 9546 B13R1.3 C=Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000748128 [1,1,0,0,0,0|1,1,0]=4 9547 B13R1.3 CC(C)COc1ccc(cc1)C#N 34a_100000210344_100000210624 [1,1,0,0,0,0|2,0,0]=4 9548 B13R1.3 CC(C)COc1ccc(cc1)C#N 7a_100000210344_100000210760 [1,1,0,0,0,0|2,0,0]=4 9549 B13R1.3 CC(C)COc1ccc(cc1)CN 34a_100000185549_100000210624 [1,1,0,0,0,0|2,0,0]=4 9550 B13R1.3 CC(C)COc1ccc(cc1)CO 34a_100000211755_100000210624 [1,1,0,0,0,0|2,0,0]=4 9551 B13R1.3 CC(C)COc1ccc(cc1)N[13CH3] 34a_200000243789_200025704644 [1,1,0,0,0,0|2,0,0]=4 9552 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200000169949_200025704644 [1,1,0,0,0,0|2,0,0]=4 9553 B13R1.3 CC(C)COc1ccc(cc1)S[13CH3] 62a_200025704644_200000169949 [1,1,0,0,0,0|2,0,0]=4 9554 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [1,1,0,0,0,0|2,0,0]=4 9555 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [1,1,0,0,0,0|2,0,0]=4 9556 B13R1.3 CC(O)CNc1ccc(cc1)C#N 34a_100000185469_100011218427 [1,1,0,0,0,0|2,0,0]=4 9557 B13R1.3 CC(O)CNc1ccc(cc1)CO 2230a_100011215238_100011218427 [1,1,0,0,0,0|2,0,0]=4 9558 B13R1.3 CC(O)CNc1ccc(cc1)CO 34a_100011215238_100011218427 [1,1,0,0,0,0|2,0,0]=4 9559 B13R1.3 CC(O)COc1ccc(cc1)C#N 34a_100000210344_100011218427 [1,1,0,0,0,0|1,0,0]=3 9560 B13R1.3 CC(O)COc1ccc(cc1)C#N 7a_100000210344_100011218427 [1,1,0,0,0,0|1,0,0]=3 9561 B13R1.3 CC(O)COc1ccc(cc1)CN 34a_100000185549_100011218427 [1,1,0,0,0,0|1,0,0]=3 9562 B13R1.3 CC(O)COc1ccc(cc1)CO 34a_100000211755_100011218427 [1,1,0,0,0,0|1,0,0]=3 9563 B13R1.3 CC(O)COc1ccc(cn1)CN 34a_100000757128_100011218427 [1,1,0,0,0,0|2,0,0]=4 9564 B13R1.3 CC(O)COc1ccc(nc1)C#N 34a_100011934750_100011218427 [1,1,0,0,0,0|2,0,0]=4 9565 B13R1.3 CC(O)COc1ccc(nc1)C#N 7a_100011934750_100011218427 [1,1,0,0,0,0|2,0,0]=4 9566 B13R1.3 CC(O)COc1ccc(nc1)CN 34a_100020605196_100011218427 [1,1,0,0,0,0|2,0,0]=4 9567 B13R1.3 CC(O)COc1ccc(nc1)CO 34a_103436540053_100011218427 [1,1,0,0,0,0|2,0,0]=4 9568 B13R1.3 CC(O)CSc1ccc(cc1)C#N 62a_100011218427_100000184291 [1,1,0,0,0,0|1,1,0]=4 9569 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100000188517_100011218427 [1,1,0,0,0,0|1,1,0]=4 9570 B13R1.3 CC(O)CSc1ccc(cc1)C=O 62a_100011218427_100000188517 [1,1,0,0,0,0|1,1,0]=4 9571 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100010268989_100011218427 [1,1,0,0,0,0|0,2,0]=4 9572 B13R1.3 CC(O)CSc1ccc(cc1)CF 62a_100011218427_100010268989 [1,1,0,0,0,0|0,2,0]=4 9573 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100011218427_100016989417 [1,1,0,0,0,0|1,1,0]=4 9574 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100016989417_100011218427 [1,1,0,0,0,0|1,1,0]=4 9575 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100000690907_100011218427 [1,1,0,0,0,0|1,1,0]=4 9576 B13R1.3 CC(O)CSc1ccc(cc1)CO 62a_100011218427_100000690907 [1,1,0,0,0,0|1,1,0]=4 9577 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100011218427_100016988836 [1,1,0,0,0,0|1,1,0]=4 9578 B13R1.3 CC(O)CSc1ccc(cc1)NN 62a_100016988836_100011218427 [1,1,0,0,0,0|1,1,0]=4 9579 B13R1.3 CCc1ccc(cc1)NCC(C)O 2230a_100000211069_100011218427 [1,1,0,0,0,0|2,0,0]=4 9580 B13R1.3 CCc1ccc(cc1)NCC(C)O 34a_100000211069_100011218427 [1,1,0,0,0,0|2,0,0]=4 9581 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 2230a_100000211069_100009817552 [1,1,0,0,0,0|2,0,0]=4 9582 B13R1.3 CCc1ccc(cc1)NC[C@@H](C)O 34a_100000211069_100009817552 [1,1,0,0,0,0|2,0,0]=4 9583 B13R1.3 CCc1ccc(cc1)OCC(C)C 34a_100000211359_100000210624 [1,1,0,0,0,0|2,0,0]=4 9584 B13R1.3 CCc1ccc(cc1)OCC(C)C 7a_100000211359_100000210760 [1,1,0,0,0,0|2,0,0]=4 9585 B13R1.3 CCc1ccc(cc1)OCC(C)O 34a_100000211359_100011218427 [1,1,0,0,0,0|1,0,0]=3 9586 B13R1.3 CCc1ccc(cc1)OCC(C)O 7a_100000211359_100011218427 [1,1,0,0,0,0|1,0,0]=3 9587 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 34a_100000211359_100009817552 [1,1,0,0,0,0|1,0,0]=3 9588 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 7a_100000211359_100009817552 [1,1,0,0,0,0|1,0,0]=3 9589 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011215824_100011218427 [1,1,0,0,0,0|1,1,0]=4 9590 B13R1.3 CCc1ccc(cc1)SCC(C)O 62a_100011218427_100011215824 [1,1,0,0,0,0|1,1,0]=4 9591 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011215824 [1,1,0,0,0,0|1,1,0]=4 9592 B13R1.3 CCc1ccc(cc1)SC[C@@H](C)O 62a_100011215824_100009817552 [1,1,0,0,0,0|1,1,0]=4 9593 B13R1.3 CNc1ccc(cc1)OCC(C)C 27a_100102657272_200000169949 [1,1,0,0,0,0|2,0,0]=4 9594 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_100000182112_100000210624 [1,1,0,0,0,0|2,0,0]=4 9595 B13R1.3 CNc1ccc(cc1)OCC(C)C 34a_200000243789_200000210301 [1,1,0,0,0,0|2,0,0]=4 9596 B13R1.3 CNc1ccc(cc1)OCC(C)O 34a_100000182112_100011218427 [1,1,0,0,0,0|1,0,0]=3 9597 B13R1.3 CNc1ccc(cc1)OC[C@@H](C)O 34a_100000182112_100009817552 [1,1,0,0,0,0|1,0,0]=3 9598 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100000743151_100011218427 [1,1,0,0,0,0|1,1,0]=4 9599 B13R1.3 CNc1ccc(cc1)SCC(C)O 62a_100011218427_100000743151 [1,1,0,0,0,0|1,1,0]=4 9600 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100000743151_100009817552 [1,1,0,0,0,0|1,1,0]=4 9601 B13R1.3 CNc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000743151 [1,1,0,0,0,0|1,1,0]=4 9602 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [1,1,0,0,0,0|2,0,0]=4 9603 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [1,1,0,0,0,0|2,0,0]=4 9604 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [1,1,0,0,0,0|2,0,0]=4 9605 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [1,1,0,0,0,0|2,0,0]=4 9606 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [1,1,0,0,0,0|2,0,0]=4 9607 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [1,1,0,0,0,0|1,0,0]=3 9608 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [1,1,0,0,0,0|1,0,0]=3 9609 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [1,1,0,0,0,0|1,1,0]=4 9610 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [1,1,0,0,0,0|1,1,0]=4 9611 B13R1.3 COc1ccc(cn1)OCC(C)O 34a_100011934560_100011218427 [1,1,0,0,0,0|2,0,0]=4 9612 B13R1.3 COc1ccc(cn1)OC[C@@H](C)O 34a_100011934560_100009817552 [1,1,0,0,0,0|2,0,0]=4 9613 B13R1.3 COc1ccc(nc1)OCC(C)O 34a_100012002028_100011218427 [1,1,0,0,0,0|2,0,0]=4 9614 B13R1.3 COc1ccc(nc1)OC[C@@H](C)O 34a_100012002028_100009817552 [1,1,0,0,0,0|2,0,0]=4 9615 B13R1.3 CSc1ccc(cc1)NCC(C)O 34a_100000212337_100011218427 [1,1,0,0,0,0|2,0,0]=4 9616 B13R1.3 CSc1ccc(cc1)NC[C@@H](C)O 34a_100000212337_100009817552 [1,1,0,0,0,0|2,0,0]=4 9617 B13R1.3 CSc1ccc(cc1)OCC(C)C 34a_100000211864_100000210624 [1,1,0,0,0,0|2,0,0]=4 9618 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000169949_200000210301 [1,1,0,0,0,0|2,0,0]=4 9619 B13R1.3 CSc1ccc(cc1)OCC(C)C 62a_200000210301_200000169949 [1,1,0,0,0,0|2,0,0]=4 9620 B13R1.3 CSc1ccc(cc1)OCC(C)O 34a_100000211864_100011218427 [1,1,0,0,0,0|1,0,0]=3 9621 B13R1.3 CSc1ccc(cc1)OC[C@@H](C)O 34a_100000211864_100009817552 [1,1,0,0,0,0|1,0,0]=3 9622 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011218427_100011263217 [1,1,0,0,0,0|1,1,0]=4 9623 B13R1.3 CSc1ccc(cc1)SCC(C)O 62a_100011263217_100011218427 [1,1,0,0,0,0|1,1,0]=4 9624 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100011263217 [1,1,0,0,0,0|1,1,0]=4 9625 B13R1.3 CSc1ccc(cc1)SC[C@@H](C)O 62a_100011263217_100009817552 [1,1,0,0,0,0|1,1,0]=4 9626 B13R1.3 C[C@@H](O)CNc1ccc(cc1)C#N 34a_100000185469_100009817552 [1,1,0,0,0,0|2,0,0]=4 9627 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 2230a_100011215238_100009817552 [1,1,0,0,0,0|2,0,0]=4 9628 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 34a_100011215238_100009817552 [1,1,0,0,0,0|2,0,0]=4 9629 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 34a_100000210344_100009817552 [1,1,0,0,0,0|1,0,0]=3 9630 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 7a_100000210344_100009817552 [1,1,0,0,0,0|1,0,0]=3 9631 B13R1.3 C[C@@H](O)COc1ccc(cc1)CN 34a_100000185549_100009817552 [1,1,0,0,0,0|1,0,0]=3 9632 B13R1.3 C[C@@H](O)COc1ccc(cc1)CO 34a_100000211755_100009817552 [1,1,0,0,0,0|1,0,0]=3 9633 B13R1.3 C[C@@H](O)COc1ccc(cn1)CN 34a_100000757128_100009817552 [1,1,0,0,0,0|2,0,0]=4 9634 B13R1.3 C[C@@H](O)COc1ccc(nc1)C#N 34a_100011934750_100009817552 [1,1,0,0,0,0|2,0,0]=4 9635 B13R1.3 C[C@@H](O)COc1ccc(nc1)C#N 7a_100011934750_100009817552 [1,1,0,0,0,0|2,0,0]=4 9636 B13R1.3 C[C@@H](O)COc1ccc(nc1)CN 34a_100020605196_100009817552 [1,1,0,0,0,0|2,0,0]=4 9637 B13R1.3 C[C@@H](O)COc1ccc(nc1)CO 34a_103436540053_100009817552 [1,1,0,0,0,0|2,0,0]=4 9638 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C#N 62a_100009817552_100000184291 [1,1,0,0,0,0|1,1,0]=4 9639 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100000188517_100009817552 [1,1,0,0,0,0|1,1,0]=4 9640 B13R1.3 C[C@@H](O)CSc1ccc(cc1)C=O 62a_100009817552_100000188517 [1,1,0,0,0,0|1,1,0]=4 9641 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100009817552_100010268989 [1,1,0,0,0,0|0,2,0]=4 9642 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CF 62a_100010268989_100009817552 [1,1,0,0,0,0|0,2,0]=4 9643 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100009817552_100016989417 [1,1,0,0,0,0|1,1,0]=4 9644 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100016989417_100009817552 [1,1,0,0,0,0|1,1,0]=4 9645 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100000690907_100009817552 [1,1,0,0,0,0|1,1,0]=4 9646 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CO 62a_100009817552_100000690907 [1,1,0,0,0,0|1,1,0]=4 9647 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100009817552_100016988836 [1,1,0,0,0,0|1,1,0]=4 9648 B13R1.3 C[C@@H](O)CSc1ccc(cc1)NN 62a_100016988836_100009817552 [1,1,0,0,0,0|1,1,0]=4 9649 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210624 [1,1,0,0,0,0|2,0,0]=4 9650 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210760 [1,1,0,0,0,0|2,0,0]=4 9651 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210624 [1,1,0,0,0,0|2,0,0]=4 9652 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000210624 [1,1,0,0,0,0|2,0,0]=4 9653 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [1,1,0,0,0,0|2,0,0]=4 9654 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218427 [1,1,0,0,0,0|1,1,0]=4 9655 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218427 [1,1,0,0,0,0|1,0,0]=3 9656 B13R1.132 CC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218427 [1,1,0,0,0,0|1,1,0]=4 9657 B13R1.132 CC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218427 [1,1,0,0,0,0|1,1,0]=4 9658 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [1,1,0,0,0,0|2,0,0]=4 9659 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100011218427 [1,1,0,0,0,0|1,1,0]=4 9660 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100011218427 [1,1,0,0,0,0|1,1,0]=4 9661 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 34a_100000219623_100011218427 [1,1,0,0,0,0|1,1,0]=4 9662 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218427 [1,1,0,0,0,0|1,0,0]=3 9663 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218427 [1,1,0,0,0,0|1,0,0]=3 9664 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011218427 [1,1,0,0,0,0|1,0,0]=3 9665 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 2230a_100000219829_100011218427 [1,1,0,0,0,0|1,1,0]=4 9666 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 269982a_100000219829_100011218427 [1,1,0,0,0,0|1,1,0]=4 9667 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 34a_100000219829_100011218427 [1,1,0,0,0,0|1,1,0]=4 9668 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 2230a_100000743151_100011218427 [1,1,0,0,0,0|1,1,0]=4 9669 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 269982a_100000743151_100011218427 [1,1,0,0,0,0|1,1,0]=4 9670 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 34a_100000743151_100011218427 [1,1,0,0,0,0|1,1,0]=4 9671 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011218427 [1,1,0,0,0,0|2,0,0]=4 9672 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011218427 [1,1,0,0,0,0|2,0,0]=4 9673 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100009817552 [1,1,0,0,0,0|1,1,0]=4 9674 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100009817552 [1,1,0,0,0,0|1,1,0]=4 9675 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 34a_100000219623_100009817552 [1,1,0,0,0,0|1,1,0]=4 9676 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009817552 [1,1,0,0,0,0|1,0,0]=3 9677 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009817552 [1,1,0,0,0,0|1,0,0]=3 9678 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009817552 [1,1,0,0,0,0|1,0,0]=3 9679 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 2230a_100000219829_100009817552 [1,1,0,0,0,0|1,1,0]=4 9680 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 269982a_100000219829_100009817552 [1,1,0,0,0,0|1,1,0]=4 9681 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 34a_100000219829_100009817552 [1,1,0,0,0,0|1,1,0]=4 9682 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 2230a_100000743151_100009817552 [1,1,0,0,0,0|1,1,0]=4 9683 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 269982a_100000743151_100009817552 [1,1,0,0,0,0|1,1,0]=4 9684 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 34a_100000743151_100009817552 [1,1,0,0,0,0|1,1,0]=4 9685 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 269982a_100000182112_100009817552 [1,1,0,0,0,0|2,0,0]=4 9686 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 34a_100000182112_100009817552 [1,1,0,0,0,0|2,0,0]=4 9687 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)O 1458a_100000188618_100011218427 [1,1,0,0,0,0|2,0,0]=4 9688 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 2230a_100000219977_100011218427 [1,1,0,0,0,0|2,0,0]=4 9689 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 269982a_100000219977_100011218427 [1,1,0,0,0,0|2,0,0]=4 9690 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 34a_100000219977_100011218427 [1,1,0,0,0,0|2,0,0]=4 9691 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 2230a_100000219977_100009817552 [1,1,0,0,0,0|2,0,0]=4 9692 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 269982a_100000219977_100009817552 [1,1,0,0,0,0|2,0,0]=4 9693 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 34a_100000219977_100009817552 [1,1,0,0,0,0|2,0,0]=4 9694 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [1,1,0,0,0,0|0,0,2]=4 9695 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [1,1,0,0,0,0|0,0,2]=4 9696 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [1,1,0,0,0,0|0,0,2]=4 9697 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_100000717761_100000694040 [1,1,0,0,0,0|1,0,1]=4 9698 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000717761 [1,1,0,0,0,0|1,0,1]=4 9699 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_217856618621_100000694040 [1,1,0,0,0,0|1,0,1]=4 9700 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_217856618621 [1,1,0,0,0,0|1,0,1]=4 9701 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_217856618621 [1,1,0,0,0,0|1,0,1]=4 9702 B13R1.133 O=C(Cc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000694040 [1,1,0,0,0,0|1,0,1]=4 9703 B13R1.133 O=C(Nc1ccc(cc1)Cl)C(O)O 22a_100000210052_100000233687 [1,1,0,0,0,0|1,0,1]=4 9704 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000748629 [1,1,0,0,0,0|1,0,1]=4 9705 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000748629 [1,1,0,0,0,0|1,0,1]=4 9706 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 34a_100000211091_100000748629 [1,1,0,0,0,0|1,0,1]=4 9707 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 7a_100000211091_100000748629 [1,1,0,0,0,0|1,0,1]=4 9708 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000748629 [1,1,0,0,0,0|1,0,1]=4 9709 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000748629 [1,1,0,0,0,0|1,0,1]=4 9710 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 34a_100000230166_100000748629 [1,1,0,0,0,0|1,0,1]=4 9711 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 7a_100000230166_100000748629 [1,1,0,0,0,0|1,0,1]=4 9712 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 34a_100011356953_100000748629 [1,1,0,0,0,0|1,0,1]=4 9713 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 7a_100011356953_100000748629 [1,1,0,0,0,0|1,0,1]=4 9714 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 34a_100000210500_100000748629 [1,1,0,0,0,0|1,0,1]=4 9715 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 7a_100000210500_100000748629 [1,1,0,0,0,0|1,0,1]=4 9716 B13R1.164 CC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200000210301 [1,1,0,0,0,0|0,0,2]=4 9717 B13R1.164 CC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_200000210301 [1,1,0,0,0,0|0,0,2]=4 9718 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [1,1,0,0,0,0|0,0,2]=4 9719 B13R1.164 CC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200000210301 [1,1,0,0,0,0|0,0,2]=4 9720 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [1,1,0,0,0,0|0,0,2]=4 9721 B13R1.164 CC(C)CNc1ccc(cc1Br)Cl 34a_100000752454_100000210624 [1,1,0,0,0,0|2,0,0]=4 9722 B13R1.164 CC(C)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000210624 [1,1,0,0,0,0|2,0,0]=4 9723 B13R1.164 CC(C)CNc1ccc(cc1F)Cl 34a_100000211020_100000210624 [1,1,0,0,0,0|2,0,0]=4 9724 B13R1.164 CC(C)CNc1ccc(cc1I)Cl 34a_100000761889_100000210624 [1,1,0,0,0,0|2,0,0]=4 9725 B13R1.164 CC(C)CNc1ccc(cc1O)Cl 34a_100000185728_100000210624 [1,1,0,0,0,0|2,0,0]=4 9726 B13R1.164 CC(C)COc1ccc(cc1Br)Br 34a_100000188717_100000210624 [1,1,0,0,0,0|1,1,0]=4 9727 B13R1.164 CC(C)COc1ccc(cc1Br)Br 7a_100000188717_100000210760 [1,1,0,0,0,0|1,1,0]=4 9728 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000210624 [1,1,0,0,0,0|1,0,0]=3 9729 B13R1.164 CC(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000210760 [1,1,0,0,0,0|1,0,0]=3 9730 B13R1.164 CC(C)COc1ccc(cc1Br)F 34a_100000211999_100000210624 [1,1,0,0,0,0|1,1,0]=4 9731 B13R1.164 CC(C)COc1ccc(cc1Br)F 7a_100000211999_100000210760 [1,1,0,0,0,0|1,1,0]=4 9732 B13R1.164 CC(C)COc1ccc(cc1Br)I 34a_100012361655_100000210624 [1,1,0,0,0,0|1,1,0]=4 9733 B13R1.164 CC(C)COc1ccc(cc1Br)I 7a_100012361655_100000210760 [1,1,0,0,0,0|1,1,0]=4 9734 B13R1.164 CC(C)COc1ccc(cc1Br)N 34a_100011534360_100000210624 [1,1,0,0,0,0|2,0,0]=4 9735 B13R1.164 CC(C)COc1ccc(cc1Br)N 7a_100011534360_100000210760 [1,1,0,0,0,0|2,0,0]=4 9736 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000210624 [1,1,0,0,0,0|1,1,0]=4 9737 B13R1.164 CC(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000210760 [1,1,0,0,0,0|1,1,0]=4 9738 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000210624 [1,1,0,0,0,0|1,0,0]=3 9739 B13R1.164 CC(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000210760 [1,1,0,0,0,0|1,0,0]=3 9740 B13R1.164 CC(C)COc1ccc(cc1Cl)F 34a_100000212004_100000210624 [1,1,0,0,0,0|1,1,0]=4 9741 B13R1.164 CC(C)COc1ccc(cc1Cl)F 7a_100000212004_100000210760 [1,1,0,0,0,0|1,1,0]=4 9742 B13R1.164 CC(C)COc1ccc(cc1Cl)I 34a_100012360047_100000210624 [1,1,0,0,0,0|1,1,0]=4 9743 B13R1.164 CC(C)COc1ccc(cc1Cl)I 7a_100012360047_100000210760 [1,1,0,0,0,0|1,1,0]=4 9744 B13R1.164 CC(C)COc1ccc(cc1Cl)N 34a_100000744943_100000210624 [1,1,0,0,0,0|2,0,0]=4 9745 B13R1.164 CC(C)COc1ccc(cc1Cl)N 7a_100000744943_100000210760 [1,1,0,0,0,0|2,0,0]=4 9746 B13R1.164 CC(C)COc1ccc(cc1F)Br 34a_100000185481_100000210624 [1,1,0,0,0,0|1,1,0]=4 9747 B13R1.164 CC(C)COc1ccc(cc1F)Br 7a_100000185481_100000210760 [1,1,0,0,0,0|1,1,0]=4 9748 B13R1.164 CC(C)COc1ccc(cc1F)Cl 34a_100000230166_100000210624 [1,1,0,0,0,0|1,0,0]=3 9749 B13R1.164 CC(C)COc1ccc(cc1F)Cl 7a_100000230166_100000210760 [1,1,0,0,0,0|1,0,0]=3 9750 B13R1.164 CC(C)COc1ccc(cc1F)F 34a_100000230127_100000210624 [1,1,0,0,0,0|1,1,0]=4 9751 B13R1.164 CC(C)COc1ccc(cc1F)F 7a_100000230127_100000210760 [1,1,0,0,0,0|1,1,0]=4 9752 B13R1.164 CC(C)COc1ccc(cc1F)I 34a_100011356965_100000210624 [1,1,0,0,0,0|1,1,0]=4 9753 B13R1.164 CC(C)COc1ccc(cc1F)I 7a_100011356965_100000210760 [1,1,0,0,0,0|1,1,0]=4 9754 B13R1.164 CC(C)COc1ccc(cc1F)N 34a_100011220035_100000210624 [1,1,0,0,0,0|2,0,0]=4 9755 B13R1.164 CC(C)COc1ccc(cc1F)N 7a_100011220035_100000210760 [1,1,0,0,0,0|2,0,0]=4 9756 B13R1.164 CC(C)COc1ccc(cc1I)Br 34a_100012355227_100000210624 [1,1,0,0,0,0|1,1,0]=4 9757 B13R1.164 CC(C)COc1ccc(cc1I)Br 7a_100012355227_100000210760 [1,1,0,0,0,0|1,1,0]=4 9758 B13R1.164 CC(C)COc1ccc(cc1I)Cl 34a_100011356953_100000210624 [1,1,0,0,0,0|1,0,0]=3 9759 B13R1.164 CC(C)COc1ccc(cc1I)Cl 7a_100011356953_100000210760 [1,1,0,0,0,0|1,0,0]=3 9760 B13R1.164 CC(C)COc1ccc(cc1I)F 34a_100012355409_100000210624 [1,1,0,0,0,0|1,1,0]=4 9761 B13R1.164 CC(C)COc1ccc(cc1I)F 7a_100012355409_100000210760 [1,1,0,0,0,0|1,1,0]=4 9762 B13R1.164 CC(C)COc1ccc(cc1I)I 7a_100010001573_100000210760 [1,1,0,0,0,0|1,1,0]=4 9763 B13R1.164 CC(C)COc1ccc(cc1N)Br 34a_100000752626_100000210624 [1,1,0,0,0,0|1,1,0]=4 9764 B13R1.164 CC(C)COc1ccc(cc1N)Br 7a_100000752626_100000210760 [1,1,0,0,0,0|1,1,0]=4 9765 B13R1.164 CC(C)COc1ccc(cc1N)Cl 34a_100000210500_100000210624 [1,1,0,0,0,0|1,0,0]=3 9766 B13R1.164 CC(C)COc1ccc(cc1N)Cl 7a_100000210500_100000210760 [1,1,0,0,0,0|1,0,0]=3 9767 B13R1.164 CC(C)COc1ccc(cc1N)F 34a_100000759472_100000210624 [1,1,0,0,0,0|1,1,0]=4 9768 B13R1.164 CC(C)COc1ccc(cc1N)F 7a_100000759472_100000210760 [1,1,0,0,0,0|1,1,0]=4 9769 B13R1.164 CC(C)COc1ccc(cc1N)I 34a_100000753495_100000210624 [1,1,0,0,0,0|1,1,0]=4 9770 B13R1.164 CC(C)COc1ccc(cc1N)I 7a_100000753495_100000210760 [1,1,0,0,0,0|1,1,0]=4 9771 B13R1.164 CC(C)COc1ccc(cc1N)N 34a_100000725306_100000210624 [1,1,0,0,0,0|2,0,0]=4 9772 B13R1.164 CC(C)COc1ccc(nc1Br)Cl 34a_100010219353_100000210624 [1,1,0,0,0,0|2,0,0]=4 9773 B13R1.164 CC(C)COc1ccc(nc1Br)Cl 7a_100010219353_100000210760 [1,1,0,0,0,0|2,0,0]=4 9774 B13R1.164 CC(C)COc1ccc(nc1Cl)Cl 34a_100000101165_100000210624 [1,1,0,0,0,0|2,0,0]=4 9775 B13R1.164 CC(C)COc1ccc(nc1Cl)Cl 7a_100000101165_100000210760 [1,1,0,0,0,0|2,0,0]=4 9776 B13R1.164 CC(C)COc1ccc(nc1F)Cl 34a_100009880201_100000210624 [1,1,0,0,0,0|2,0,0]=4 9777 B13R1.164 CC(C)COc1ccc(nc1F)Cl 7a_100009880201_100000210760 [1,1,0,0,0,0|2,0,0]=4 9778 B13R1.164 CC(C)COc1ccc(nc1I)Cl 34a_100000696390_100000210624 [1,1,0,0,0,0|2,0,0]=4 9779 B13R1.164 CC(C)COc1ccc(nc1I)Cl 7a_100000696390_100000210760 [1,1,0,0,0,0|2,0,0]=4 9780 B13R1.164 CC(C)COc1ccc(nc1N)Cl 34a_100000717809_100000210624 [1,1,0,0,0,0|2,0,0]=4 9781 B13R1.164 CC(C)COc1ccc(nc1N)Cl 7a_100000717809_100000210760 [1,1,0,0,0,0|2,0,0]=4 9782 B13R1.164 CC(C)COc1cnc(cc1Cl)Cl 34a_100009868576_100000210624 [1,1,0,0,0,0|2,0,0]=4 9783 B13R1.164 CC(C)COc1cnc(cc1Cl)Cl 7a_100009868576_100000210760 [1,1,0,0,0,0|2,0,0]=4 9784 B13R1.164 CC(C)COc1cnc(cc1I)Cl 34a_100000698892_100000210624 [1,1,0,0,0,0|2,0,0]=4 9785 B13R1.164 CC(C)COc1cnc(cc1I)Cl 7a_100000698892_100000210760 [1,1,0,0,0,0|2,0,0]=4 9786 B13R1.164 CC(C)COc1ncc(cc1F)Cl 34a_100011998252_100000210624 [1,1,0,0,0,0|2,0,0]=4 9787 B13R1.164 CC(C)COc1ncc(cc1N)Cl 34a_100011998249_100000210624 [1,1,0,0,0,0|2,0,0]=4 9788 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100000210624_100011219703 [1,1,0,0,0,0|1,1,0]=4 9789 B13R1.164 CC(C)CSc1ccc(cc1Br)Cl 62a_100011219703_100000210760 [1,1,0,0,0,0|1,1,0]=4 9790 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000210624_100000699841 [1,1,0,0,0,0|1,1,0]=4 9791 B13R1.164 CC(C)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000210760 [1,1,0,0,0,0|1,1,0]=4 9792 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100000210624_100011216042 [1,1,0,0,0,0|1,1,0]=4 9793 B13R1.164 CC(C)CSc1ccc(cc1F)Cl 62a_100011216042_100000210760 [1,1,0,0,0,0|1,1,0]=4 9794 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000210624_100000761886 [1,1,0,0,0,0|1,1,0]=4 9795 B13R1.164 CC(C)CSc1ccc(cc1N)Cl 62a_100000761886_100000210760 [1,1,0,0,0,0|1,1,0]=4 9796 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000050036_100000210760 [1,1,0,0,0,0|1,1,0]=4 9797 B13R1.164 CC(C)CSc1ccc(cc1O)Cl 62a_100000210624_100000050036 [1,1,0,0,0,0|1,1,0]=4 9798 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Cl 271570a_200011019289_100011219703 [1,1,0,0,0,0|1,0,1]=4 9799 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Cl 271570a_200011019289_100000699841 [1,1,0,0,0,0|1,0,1]=4 9800 B13R1.164 CC(O)C=Cc1ccc(cc1F)Cl 271570a_200011019289_100011216042 [1,1,0,0,0,0|1,0,1]=4 9801 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [1,1,0,0,0,0|1,0,1]=4 9802 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [1,1,0,0,0,0|1,0,1]=4 9803 B13R1.164 CC(O)CNc1ccc(cc1Br)Br 34a_100000211012_100011218427 [1,1,0,0,0,0|1,1,0]=4 9804 B13R1.164 CC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100011218427 [1,1,0,0,0,0|1,0,0]=3 9805 B13R1.164 CC(O)CNc1ccc(cc1Br)F 34a_100000738039_100011218427 [1,1,0,0,0,0|1,1,0]=4 9806 B13R1.164 CC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011218427 [1,1,0,0,0,0|2,0,0]=4 9807 B13R1.164 CC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011218427 [1,1,0,0,0,0|1,1,0]=4 9808 B13R1.164 CC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011218427 [1,1,0,0,0,0|1,0,0]=3 9809 B13R1.164 CC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011218427 [1,1,0,0,0,0|1,1,0]=4 9810 B13R1.164 CC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011218427 [1,1,0,0,0,0|1,1,0]=4 9811 B13R1.164 CC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011218427 [1,1,0,0,0,0|2,0,0]=4 9812 B13R1.164 CC(O)CNc1ccc(cc1F)Br 34a_100000210722_100011218427 [1,1,0,0,0,0|1,1,0]=4 9813 B13R1.164 CC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100011218427 [1,1,0,0,0,0|1,0,0]=3 9814 B13R1.164 CC(O)CNc1ccc(cc1F)F 34a_100000210720_100011218427 [1,1,0,0,0,0|1,1,0]=4 9815 B13R1.164 CC(O)CNc1ccc(cc1F)I 34a_100011215594_100011218427 [1,1,0,0,0,0|1,1,0]=4 9816 B13R1.164 CC(O)CNc1ccc(cc1F)O 34a_100000759473_100011218427 [1,1,0,0,0,0|2,0,0]=4 9817 B13R1.164 CC(O)CNc1ccc(cc1I)Br 34a_100000187925_100011218427 [1,1,0,0,0,0|1,1,0]=4 9818 B13R1.164 CC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100011218427 [1,1,0,0,0,0|1,0,0]=3 9819 B13R1.164 CC(O)CNc1ccc(cc1I)F 34a_100000760547_100011218427 [1,1,0,0,0,0|1,1,0]=4 9820 B13R1.164 CC(O)CNc1ccc(cc1I)O 34a_100010084370_100011218427 [1,1,0,0,0,0|2,0,0]=4 9821 B13R1.164 CC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011218427 [1,1,0,0,0,0|1,1,0]=4 9822 B13R1.164 CC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011218427 [1,1,0,0,0,0|1,0,0]=3 9823 B13R1.164 CC(O)CNc1ccc(cc1O)F 34a_100000753323_100011218427 [1,1,0,0,0,0|1,1,0]=4 9824 B13R1.164 CC(O)CNc1ccc(cc1O)O 34a_100000106777_100011218427 [1,1,0,0,0,0|2,0,0]=4 9825 B13R1.164 CC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011218427 [1,1,0,0,0,0|0,1,0]=3 9826 B13R1.164 CC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011218427 [1,1,0,0,0,0|0,1,0]=3 9827 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011218427 [1,1,0,0,0,0|0,0,0]=2 9828 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011218427 [1,1,0,0,0,0|0,0,0]=2 9829 B13R1.164 CC(O)COc1ccc(cc1Br)F 34a_100000211999_100011218427 [1,1,0,0,0,0|0,1,0]=3 9830 B13R1.164 CC(O)COc1ccc(cc1Br)F 7a_100000211999_100011218427 [1,1,0,0,0,0|0,1,0]=3 9831 B13R1.164 CC(O)COc1ccc(cc1Br)I 34a_100012361655_100011218427 [1,1,0,0,0,0|0,1,0]=3 9832 B13R1.164 CC(O)COc1ccc(cc1Br)I 7a_100012361655_100011218427 [1,1,0,0,0,0|0,1,0]=3 9833 B13R1.164 CC(O)COc1ccc(cc1Br)N 34a_100011534360_100011218427 [1,1,0,0,0,0|1,0,0]=3 9834 B13R1.164 CC(O)COc1ccc(cc1Br)N 7a_100011534360_100011218427 [1,1,0,0,0,0|1,0,0]=3 9835 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011218427 [1,1,0,0,0,0|0,1,0]=3 9836 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011218427 [1,1,0,0,0,0|0,1,0]=3 9837 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011218427 [1,1,0,0,0,0|0,0,0]=2 9838 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011218427 [1,1,0,0,0,0|0,0,0]=2 9839 B13R1.164 CC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011218427 [1,1,0,0,0,0|0,1,0]=3 9840 B13R1.164 CC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011218427 [1,1,0,0,0,0|0,1,0]=3 9841 B13R1.164 CC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011218427 [1,1,0,0,0,0|0,1,0]=3 9842 B13R1.164 CC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011218427 [1,1,0,0,0,0|0,1,0]=3 9843 B13R1.164 CC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011218427 [1,1,0,0,0,0|1,0,0]=3 9844 B13R1.164 CC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011218427 [1,1,0,0,0,0|1,0,0]=3 9845 B13R1.164 CC(O)COc1ccc(cc1F)Br 34a_100000185481_100011218427 [1,1,0,0,0,0|0,1,0]=3 9846 B13R1.164 CC(O)COc1ccc(cc1F)Br 7a_100000185481_100011218427 [1,1,0,0,0,0|0,1,0]=3 9847 B13R1.164 CC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011218427 [1,1,0,0,0,0|0,0,0]=2 9848 B13R1.164 CC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011218427 [1,1,0,0,0,0|0,0,0]=2 9849 B13R1.164 CC(O)COc1ccc(cc1F)F 34a_100000230127_100011218427 [1,1,0,0,0,0|0,1,0]=3 9850 B13R1.164 CC(O)COc1ccc(cc1F)F 7a_100000230127_100011218427 [1,1,0,0,0,0|0,1,0]=3 9851 B13R1.164 CC(O)COc1ccc(cc1F)I 34a_100011356965_100011218427 [1,1,0,0,0,0|0,1,0]=3 9852 B13R1.164 CC(O)COc1ccc(cc1F)I 7a_100011356965_100011218427 [1,1,0,0,0,0|0,1,0]=3 9853 B13R1.164 CC(O)COc1ccc(cc1F)N 34a_100011220035_100011218427 [1,1,0,0,0,0|1,0,0]=3 9854 B13R1.164 CC(O)COc1ccc(cc1F)N 7a_100011220035_100011218427 [1,1,0,0,0,0|1,0,0]=3 9855 B13R1.164 CC(O)COc1ccc(cc1I)Br 34a_100012355227_100011218427 [1,1,0,0,0,0|0,1,0]=3 9856 B13R1.164 CC(O)COc1ccc(cc1I)Br 7a_100012355227_100011218427 [1,1,0,0,0,0|0,1,0]=3 9857 B13R1.164 CC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011218427 [1,1,0,0,0,0|0,0,0]=2 9858 B13R1.164 CC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011218427 [1,1,0,0,0,0|0,0,0]=2 9859 B13R1.164 CC(O)COc1ccc(cc1I)F 34a_100012355409_100011218427 [1,1,0,0,0,0|0,1,0]=3 9860 B13R1.164 CC(O)COc1ccc(cc1I)F 7a_100012355409_100011218427 [1,1,0,0,0,0|0,1,0]=3 9861 B13R1.164 CC(O)COc1ccc(cc1I)I 7a_100010001573_100011218427 [1,1,0,0,0,0|0,1,0]=3 9862 B13R1.164 CC(O)COc1ccc(cc1N)Br 34a_100000752626_100011218427 [1,1,0,0,0,0|0,1,0]=3 9863 B13R1.164 CC(O)COc1ccc(cc1N)Br 7a_100000752626_100011218427 [1,1,0,0,0,0|0,1,0]=3 9864 B13R1.164 CC(O)COc1ccc(cc1N)Cl 34a_100000210500_100011218427 [1,1,0,0,0,0|0,0,0]=2 9865 B13R1.164 CC(O)COc1ccc(cc1N)Cl 7a_100000210500_100011218427 [1,1,0,0,0,0|0,0,0]=2 9866 B13R1.164 CC(O)COc1ccc(cc1N)F 34a_100000759472_100011218427 [1,1,0,0,0,0|0,1,0]=3 9867 B13R1.164 CC(O)COc1ccc(cc1N)F 7a_100000759472_100011218427 [1,1,0,0,0,0|0,1,0]=3 9868 B13R1.164 CC(O)COc1ccc(cc1N)I 34a_100000753495_100011218427 [1,1,0,0,0,0|0,1,0]=3 9869 B13R1.164 CC(O)COc1ccc(cc1N)I 7a_100000753495_100011218427 [1,1,0,0,0,0|0,1,0]=3 9870 B13R1.164 CC(O)COc1ccc(cc1N)N 34a_100000725306_100011218427 [1,1,0,0,0,0|1,0,0]=3 9871 B13R1.164 CC(O)COc1ccc(nc1Br)Br 34a_100009999766_100011218427 [1,1,0,0,0,0|1,1,0]=4 9872 B13R1.164 CC(O)COc1ccc(nc1Br)Br 7a_100009999766_100011218427 [1,1,0,0,0,0|1,1,0]=4 9873 B13R1.164 CC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100011218427 [1,1,0,0,0,0|1,0,0]=3 9874 B13R1.164 CC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100011218427 [1,1,0,0,0,0|1,0,0]=3 9875 B13R1.164 CC(O)COc1ccc(nc1Br)F 34a_100009887730_100011218427 [1,1,0,0,0,0|1,1,0]=4 9876 B13R1.164 CC(O)COc1ccc(nc1Br)F 7a_100009887730_100011218427 [1,1,0,0,0,0|1,1,0]=4 9877 B13R1.164 CC(O)COc1ccc(nc1Br)I 34a_100000725334_100011218427 [1,1,0,0,0,0|1,1,0]=4 9878 B13R1.164 CC(O)COc1ccc(nc1Br)I 7a_100000725334_100011218427 [1,1,0,0,0,0|1,1,0]=4 9879 B13R1.164 CC(O)COc1ccc(nc1Cl)Br 34a_100010246206_100011218427 [1,1,0,0,0,0|1,1,0]=4 9880 B13R1.164 CC(O)COc1ccc(nc1Cl)Br 7a_100010246206_100011218427 [1,1,0,0,0,0|1,1,0]=4 9881 B13R1.164 CC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100011218427 [1,1,0,0,0,0|1,0,0]=3 9882 B13R1.164 CC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100011218427 [1,1,0,0,0,0|1,0,0]=3 9883 B13R1.164 CC(O)COc1ccc(nc1Cl)I 34a_100000721234_100011218427 [1,1,0,0,0,0|1,1,0]=4 9884 B13R1.164 CC(O)COc1ccc(nc1Cl)I 7a_100000721234_100011218427 [1,1,0,0,0,0|1,1,0]=4 9885 B13R1.164 CC(O)COc1ccc(nc1F)Br 34a_100009819667_100011218427 [1,1,0,0,0,0|1,1,0]=4 9886 B13R1.164 CC(O)COc1ccc(nc1F)Br 7a_100009819667_100011218427 [1,1,0,0,0,0|1,1,0]=4 9887 B13R1.164 CC(O)COc1ccc(nc1F)Cl 34a_100009880201_100011218427 [1,1,0,0,0,0|1,0,0]=3 9888 B13R1.164 CC(O)COc1ccc(nc1F)Cl 7a_100009880201_100011218427 [1,1,0,0,0,0|1,0,0]=3 9889 B13R1.164 CC(O)COc1ccc(nc1F)F 34a_100000101184_100011218427 [1,1,0,0,0,0|1,1,0]=4 9890 B13R1.164 CC(O)COc1ccc(nc1F)F 7a_100000101184_100011218427 [1,1,0,0,0,0|1,1,0]=4 9891 B13R1.164 CC(O)COc1ccc(nc1I)Br 34a_100010253912_100011218427 [1,1,0,0,0,0|1,1,0]=4 9892 B13R1.164 CC(O)COc1ccc(nc1I)Br 7a_100010253912_100011218427 [1,1,0,0,0,0|1,1,0]=4 9893 B13R1.164 CC(O)COc1ccc(nc1I)Cl 34a_100000696390_100011218427 [1,1,0,0,0,0|1,0,0]=3 9894 B13R1.164 CC(O)COc1ccc(nc1I)Cl 7a_100000696390_100011218427 [1,1,0,0,0,0|1,0,0]=3 9895 B13R1.164 CC(O)COc1ccc(nc1I)F 34a_100010382442_100011218427 [1,1,0,0,0,0|1,1,0]=4 9896 B13R1.164 CC(O)COc1ccc(nc1I)F 7a_100010382442_100011218427 [1,1,0,0,0,0|1,1,0]=4 9897 B13R1.164 CC(O)COc1ccc(nc1N)Br 34a_100000685527_100011218427 [1,1,0,0,0,0|1,1,0]=4 9898 B13R1.164 CC(O)COc1ccc(nc1N)Br 7a_100000685527_100011218427 [1,1,0,0,0,0|1,1,0]=4 9899 B13R1.164 CC(O)COc1ccc(nc1N)Cl 34a_100000717809_100011218427 [1,1,0,0,0,0|1,0,0]=3 9900 B13R1.164 CC(O)COc1ccc(nc1N)Cl 7a_100000717809_100011218427 [1,1,0,0,0,0|1,0,0]=3 9901 B13R1.164 CC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100011218427 [1,1,0,0,0,0|1,0,0]=3 9902 B13R1.164 CC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100011218427 [1,1,0,0,0,0|1,0,0]=3 9903 B13R1.164 CC(O)COc1cnc(cc1F)F 34a_100009885687_100011218427 [1,1,0,0,0,0|1,1,0]=4 9904 B13R1.164 CC(O)COc1cnc(cc1F)F 7a_100009885687_100011218427 [1,1,0,0,0,0|1,1,0]=4 9905 B13R1.164 CC(O)COc1cnc(cc1I)Cl 34a_100000698892_100011218427 [1,1,0,0,0,0|1,0,0]=3 9906 B13R1.164 CC(O)COc1cnc(cc1I)Cl 7a_100000698892_100011218427 [1,1,0,0,0,0|1,0,0]=3 9907 B13R1.164 CC(O)COc1cnc(cc1N)Br 34a_100009819941_100011218427 [1,1,0,0,0,0|1,1,0]=4 9908 B13R1.164 CC(O)COc1cnc(cc1N)Br 7a_100009819941_100011218427 [1,1,0,0,0,0|1,1,0]=4 9909 B13R1.164 CC(O)COc1cnc(nc1Cl)Cl 34a_100010725077_100011218427 [1,1,0,0,0,0|2,0,0]=4 9910 B13R1.164 CC(O)COc1cnc(nc1Cl)Cl 7a_100010725077_100011218427 [1,1,0,0,0,0|2,0,0]=4 9911 B13R1.164 CC(O)COc1ncc(cc1Br)Br 34a_100000701035_100011218427 [1,1,0,0,0,0|1,1,0]=4 9912 B13R1.164 CC(O)COc1ncc(cc1Cl)Br 34a_100012339560_100011218427 [1,1,0,0,0,0|1,1,0]=4 9913 B13R1.164 CC(O)COc1ncc(cc1Cl)F 34a_100009847679_100011218427 [1,1,0,0,0,0|1,1,0]=4 9914 B13R1.164 CC(O)COc1ncc(cc1F)Cl 34a_100011998252_100011218427 [1,1,0,0,0,0|1,0,0]=3 9915 B13R1.164 CC(O)COc1ncc(cc1F)F 34a_100012025737_100011218427 [1,1,0,0,0,0|1,1,0]=4 9916 B13R1.164 CC(O)COc1ncc(cc1N)Br 34a_100000743729_100011218427 [1,1,0,0,0,0|1,1,0]=4 9917 B13R1.164 CC(O)COc1ncc(cc1N)Cl 34a_100011998249_100011218427 [1,1,0,0,0,0|1,0,0]=3 9918 B13R1.164 CC(O)CSc1ccc(cc1Br)Br 62a_100011218427_100011484698 [1,1,0,0,0,0|0,2,0]=4 9919 B13R1.164 CC(O)CSc1ccc(cc1Br)Br 62a_100011484698_100011218427 [1,1,0,0,0,0|0,2,0]=4 9920 B13R1.164 CC(O)CSc1ccc(cc1Br)Cl 62a_100011218427_100011219703 [1,1,0,0,0,0|0,1,0]=3 9921 B13R1.164 CC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100011218427 [1,1,0,0,0,0|0,1,0]=3 9922 B13R1.164 CC(O)CSc1ccc(cc1Br)F 62a_100011217111_100011218427 [1,1,0,0,0,0|0,2,0]=4 9923 B13R1.164 CC(O)CSc1ccc(cc1Br)F 62a_100011218427_100011217111 [1,1,0,0,0,0|0,2,0]=4 9924 B13R1.164 CC(O)CSc1ccc(cc1Br)N 62a_100000750458_100011218427 [1,1,0,0,0,0|1,1,0]=4 9925 B13R1.164 CC(O)CSc1ccc(cc1Br)N 62a_100011218427_100000750458 [1,1,0,0,0,0|1,1,0]=4 9926 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011218427 [1,1,0,0,0,0|1,1,0]=4 9927 B13R1.164 CC(O)CSc1ccc(cc1Br)O 62a_100011218427_100000701344 [1,1,0,0,0,0|1,1,0]=4 9928 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011218427 [1,1,0,0,0,0|0,2,0]=4 9929 B13R1.164 CC(O)CSc1ccc(cc1Cl)Br 62a_100011218427_100011216062 [1,1,0,0,0,0|0,2,0]=4 9930 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011218427 [1,1,0,0,0,0|0,1,0]=3 9931 B13R1.164 CC(O)CSc1ccc(cc1Cl)Cl 62a_100011218427_100000699841 [1,1,0,0,0,0|0,1,0]=3 9932 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011218427 [1,1,0,0,0,0|0,2,0]=4 9933 B13R1.164 CC(O)CSc1ccc(cc1Cl)F 62a_100011218427_100000733362 [1,1,0,0,0,0|0,2,0]=4 9934 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100000761885_100011218427 [1,1,0,0,0,0|1,1,0]=4 9935 B13R1.164 CC(O)CSc1ccc(cc1Cl)N 62a_100011218427_100000761885 [1,1,0,0,0,0|1,1,0]=4 9936 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011218427 [1,1,0,0,0,0|1,1,0]=4 9937 B13R1.164 CC(O)CSc1ccc(cc1Cl)O 62a_100011218427_100000047559 [1,1,0,0,0,0|1,1,0]=4 9938 B13R1.164 CC(O)CSc1ccc(cc1F)Br 62a_100009814013_100011218427 [1,1,0,0,0,0|0,2,0]=4 9939 B13R1.164 CC(O)CSc1ccc(cc1F)Br 62a_100011218427_100009814013 [1,1,0,0,0,0|0,2,0]=4 9940 B13R1.164 CC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100011218427 [1,1,0,0,0,0|0,1,0]=3 9941 B13R1.164 CC(O)CSc1ccc(cc1F)Cl 62a_100011218427_100011216042 [1,1,0,0,0,0|0,1,0]=3 9942 B13R1.164 CC(O)CSc1ccc(cc1F)F 62a_100000750030_100011218427 [1,1,0,0,0,0|0,2,0]=4 9943 B13R1.164 CC(O)CSc1ccc(cc1F)F 62a_100011218427_100000750030 [1,1,0,0,0,0|0,2,0]=4 9944 B13R1.164 CC(O)CSc1ccc(cc1F)N 62a_100011218427_100011356925 [1,1,0,0,0,0|1,1,0]=4 9945 B13R1.164 CC(O)CSc1ccc(cc1F)N 62a_100011356925_100011218427 [1,1,0,0,0,0|1,1,0]=4 9946 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100000755031_100011218427 [1,1,0,0,0,0|1,1,0]=4 9947 B13R1.164 CC(O)CSc1ccc(cc1F)O 62a_100011218427_100000755031 [1,1,0,0,0,0|1,1,0]=4 9948 B13R1.164 CC(O)CSc1ccc(cc1N)Br 62a_100000743836_100011218427 [1,1,0,0,0,0|0,2,0]=4 9949 B13R1.164 CC(O)CSc1ccc(cc1N)Br 62a_100011218427_100000743836 [1,1,0,0,0,0|0,2,0]=4 9950 B13R1.164 CC(O)CSc1ccc(cc1N)Cl 62a_100000761886_100011218427 [1,1,0,0,0,0|0,1,0]=3 9951 B13R1.164 CC(O)CSc1ccc(cc1N)Cl 62a_100011218427_100000761886 [1,1,0,0,0,0|0,1,0]=3 9952 B13R1.164 CC(O)CSc1ccc(cc1N)F 62a_100000687223_100011218427 [1,1,0,0,0,0|0,2,0]=4 9953 B13R1.164 CC(O)CSc1ccc(cc1N)F 62a_100011218427_100000687223 [1,1,0,0,0,0|0,2,0]=4 9954 B13R1.164 CC(O)CSc1ccc(cc1N)N 62a_100011218427_200012175722 [1,1,0,0,0,0|1,1,0]=4 9955 B13R1.164 CC(O)CSc1ccc(cc1N)N 62a_200012175722_100011218427 [1,1,0,0,0,0|1,1,0]=4 9956 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011218427_100011999798 [1,1,0,0,0,0|1,1,0]=4 9957 B13R1.164 CC(O)CSc1ccc(cc1N)O 62a_100011999798_100011218427 [1,1,0,0,0,0|1,1,0]=4 9958 B13R1.164 CC(O)CSc1ccc(cc1O)Br 62a_100011218427_100012344904 [1,1,0,0,0,0|0,2,0]=4 9959 B13R1.164 CC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011218427 [1,1,0,0,0,0|0,2,0]=4 9960 B13R1.164 CC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011218427 [1,1,0,0,0,0|0,1,0]=3 9961 B13R1.164 CC(O)CSc1ccc(cc1O)Cl 62a_100011218427_100000050036 [1,1,0,0,0,0|0,1,0]=3 9962 B13R1.164 CC(O)CSc1ccc(cc1O)F 62a_100000690578_100011218427 [1,1,0,0,0,0|0,2,0]=4 9963 B13R1.164 CC(O)CSc1ccc(cc1O)F 62a_100011218427_100000690578 [1,1,0,0,0,0|0,2,0]=4 9964 B13R1.164 CC(O)CSc1ccc(cc1O)O 62a_100011218427_100009813921 [1,1,0,0,0,0|1,1,0]=4 9965 B13R1.164 CC(O)CSc1ccc(nc1Cl)Cl 62a_100011218427_100000043682 [1,1,0,0,0,0|1,1,0]=4 9966 B13R1.164 CC(O)CSc1ccc(nc1F)Cl 62a_100010168078_100011218427 [1,1,0,0,0,0|1,1,0]=4 9967 B13R1.164 CC(O)CSc1ccc(nc1F)Cl 62a_100011218427_100010168078 [1,1,0,0,0,0|1,1,0]=4 9968 B13R1.164 CC(O)CSc1ccc(nc1N)Cl 62a_100010171640_100011218427 [1,1,0,0,0,0|1,1,0]=4 9969 B13R1.164 CC(O)CSc1ccc(nc1N)Cl 62a_100011218427_100010171640 [1,1,0,0,0,0|1,1,0]=4 9970 B13R1.164 CC(O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100011218427 [1,1,0,0,0,0|1,1,0]=4 9971 B13R1.164 CC(O)CSc1cnc(cc1Cl)Cl 62a_100011218427_100010200927 [1,1,0,0,0,0|1,1,0]=4 9972 B13R1.164 CC(O)CSc1cnc(cc1F)Cl 62a_100010128100_100011218427 [1,1,0,0,0,0|1,1,0]=4 9973 B13R1.164 CC(O)CSc1cnc(cc1F)Cl 62a_100011218427_100010128100 [1,1,0,0,0,0|1,1,0]=4 9974 B13R1.164 CC(O)CSc1cnc(cc1N)Cl 62a_100010209552_100011218427 [1,1,0,0,0,0|1,1,0]=4 9975 B13R1.164 CC(O)CSc1cnc(cc1N)Cl 62a_100011218427_100010209552 [1,1,0,0,0,0|1,1,0]=4 9976 B13R1.164 CC(O)CSc1ncc(cc1Br)Cl 62a_100011218427_100012154958 [1,1,0,0,0,0|1,1,0]=4 9977 B13R1.164 CC(O)CSc1ncc(cc1Br)Cl 62a_100012154958_100011218427 [1,1,0,0,0,0|1,1,0]=4 9978 B13R1.164 CC(O)CSc1ncc(cc1F)Cl 62a_100011218427_100012348686 [1,1,0,0,0,0|1,1,0]=4 9979 B13R1.164 CC(O)CSc1ncc(cc1F)Cl 62a_100012348686_100011218427 [1,1,0,0,0,0|1,1,0]=4 9980 B13R1.164 CC(O)CSc1ncc(cc1O)Cl 62a_100010233512_100011218427 [1,1,0,0,0,0|1,1,0]=4 9981 B13R1.164 CC(O)CSc1ncc(cc1O)Cl 62a_100011218427_100010233512 [1,1,0,0,0,0|1,1,0]=4 9982 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)Br 34a_100000211012_100009817552 [1,1,0,0,0,0|1,1,0]=4 9983 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)Cl 34a_100000752454_100009817552 [1,1,0,0,0,0|1,0,0]=3 9984 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)F 34a_100000738039_100009817552 [1,1,0,0,0,0|1,1,0]=4 9985 B13R1.164 C[C@@H](O)CNc1ccc(cc1Br)O 34a_100012001276_100009817552 [1,1,0,0,0,0|2,0,0]=4 9986 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Br 34a_100000211467_100009817552 [1,1,0,0,0,0|1,1,0]=4 9987 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009817552 [1,1,0,0,0,0|1,0,0]=3 9988 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)F 34a_100000212003_100009817552 [1,1,0,0,0,0|1,1,0]=4 9989 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)I 34a_100011218065_100009817552 [1,1,0,0,0,0|1,1,0]=4 9990 B13R1.164 C[C@@H](O)CNc1ccc(cc1Cl)O 34a_100011215599_100009817552 [1,1,0,0,0,0|2,0,0]=4 9991 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)Br 34a_100000210722_100009817552 [1,1,0,0,0,0|1,1,0]=4 9992 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)Cl 34a_100000211020_100009817552 [1,1,0,0,0,0|1,0,0]=3 9993 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)F 34a_100000210720_100009817552 [1,1,0,0,0,0|1,1,0]=4 9994 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)I 34a_100011215594_100009817552 [1,1,0,0,0,0|1,1,0]=4 9995 B13R1.164 C[C@@H](O)CNc1ccc(cc1F)O 34a_100000759473_100009817552 [1,1,0,0,0,0|2,0,0]=4 9996 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)Br 34a_100000187925_100009817552 [1,1,0,0,0,0|1,1,0]=4 9997 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)Cl 34a_100000761889_100009817552 [1,1,0,0,0,0|1,0,0]=3 9998 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)F 34a_100000760547_100009817552 [1,1,0,0,0,0|1,1,0]=4 9999 B13R1.164 C[C@@H](O)CNc1ccc(cc1I)O 34a_100010084370_100009817552 [1,1,0,0,0,0|2,0,0]=4 10000 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Br 34a_100000739049_100009817552 [1,1,0,0,0,0|1,1,0]=4 10001 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)Cl 34a_100000185728_100009817552 [1,1,0,0,0,0|1,0,0]=3 10002 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)F 34a_100000753323_100009817552 [1,1,0,0,0,0|1,1,0]=4 10003 B13R1.164 C[C@@H](O)CNc1ccc(cc1O)O 34a_100000106777_100009817552 [1,1,0,0,0,0|2,0,0]=4 10004 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 34a_100000188717_100009817552 [1,1,0,0,0,0|0,1,0]=3 10005 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 7a_100000188717_100009817552 [1,1,0,0,0,0|0,1,0]=3 10006 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 34a_100000211998_100009817552 [1,1,0,0,0,0|0,0,0]=2 10007 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 7a_100000211998_100009817552 [1,1,0,0,0,0|0,0,0]=2 10008 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 34a_100000211999_100009817552 [1,1,0,0,0,0|0,1,0]=3 10009 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 7a_100000211999_100009817552 [1,1,0,0,0,0|0,1,0]=3 10010 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 34a_100012361655_100009817552 [1,1,0,0,0,0|0,1,0]=3 10011 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 7a_100012361655_100009817552 [1,1,0,0,0,0|0,1,0]=3 10012 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 34a_100011534360_100009817552 [1,1,0,0,0,0|1,0,0]=3 10013 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 7a_100011534360_100009817552 [1,1,0,0,0,0|1,0,0]=3 10014 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 34a_100000186472_100009817552 [1,1,0,0,0,0|0,1,0]=3 10015 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100009817552 [1,1,0,0,0,0|0,1,0]=3 10016 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 34a_100015191787_100009817552 [1,1,0,0,0,0|0,0,0]=2 10017 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100009817552 [1,1,0,0,0,0|0,0,0]=2 10018 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 34a_100000212004_100009817552 [1,1,0,0,0,0|0,1,0]=3 10019 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100009817552 [1,1,0,0,0,0|0,1,0]=3 10020 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 34a_100012360047_100009817552 [1,1,0,0,0,0|0,1,0]=3 10021 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100009817552 [1,1,0,0,0,0|0,1,0]=3 10022 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 34a_100000744943_100009817552 [1,1,0,0,0,0|1,0,0]=3 10023 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 7a_100000744943_100009817552 [1,1,0,0,0,0|1,0,0]=3 10024 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 34a_100000185481_100009817552 [1,1,0,0,0,0|0,1,0]=3 10025 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 7a_100000185481_100009817552 [1,1,0,0,0,0|0,1,0]=3 10026 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 34a_100000230166_100009817552 [1,1,0,0,0,0|0,0,0]=2 10027 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 7a_100000230166_100009817552 [1,1,0,0,0,0|0,0,0]=2 10028 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 34a_100000230127_100009817552 [1,1,0,0,0,0|0,1,0]=3 10029 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 7a_100000230127_100009817552 [1,1,0,0,0,0|0,1,0]=3 10030 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 34a_100011356965_100009817552 [1,1,0,0,0,0|0,1,0]=3 10031 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 7a_100011356965_100009817552 [1,1,0,0,0,0|0,1,0]=3 10032 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 34a_100011220035_100009817552 [1,1,0,0,0,0|1,0,0]=3 10033 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 7a_100011220035_100009817552 [1,1,0,0,0,0|1,0,0]=3 10034 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 34a_100012355227_100009817552 [1,1,0,0,0,0|0,1,0]=3 10035 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 7a_100012355227_100009817552 [1,1,0,0,0,0|0,1,0]=3 10036 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 34a_100011356953_100009817552 [1,1,0,0,0,0|0,0,0]=2 10037 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 7a_100011356953_100009817552 [1,1,0,0,0,0|0,0,0]=2 10038 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 34a_100012355409_100009817552 [1,1,0,0,0,0|0,1,0]=3 10039 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 7a_100012355409_100009817552 [1,1,0,0,0,0|0,1,0]=3 10040 B13R1.164 C[C@@H](O)COc1ccc(cc1I)I 7a_100010001573_100009817552 [1,1,0,0,0,0|0,1,0]=3 10041 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 34a_100000752626_100009817552 [1,1,0,0,0,0|0,1,0]=3 10042 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 7a_100000752626_100009817552 [1,1,0,0,0,0|0,1,0]=3 10043 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 34a_100000210500_100009817552 [1,1,0,0,0,0|0,0,0]=2 10044 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 7a_100000210500_100009817552 [1,1,0,0,0,0|0,0,0]=2 10045 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 34a_100000759472_100009817552 [1,1,0,0,0,0|0,1,0]=3 10046 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 7a_100000759472_100009817552 [1,1,0,0,0,0|0,1,0]=3 10047 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 34a_100000753495_100009817552 [1,1,0,0,0,0|0,1,0]=3 10048 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 7a_100000753495_100009817552 [1,1,0,0,0,0|0,1,0]=3 10049 B13R1.164 C[C@@H](O)COc1ccc(cc1N)N 34a_100000725306_100009817552 [1,1,0,0,0,0|1,0,0]=3 10050 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Br 34a_100009999766_100009817552 [1,1,0,0,0,0|1,1,0]=4 10051 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Br 7a_100009999766_100009817552 [1,1,0,0,0,0|1,1,0]=4 10052 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Cl 34a_100010219353_100009817552 [1,1,0,0,0,0|1,0,0]=3 10053 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)Cl 7a_100010219353_100009817552 [1,1,0,0,0,0|1,0,0]=3 10054 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)F 34a_100009887730_100009817552 [1,1,0,0,0,0|1,1,0]=4 10055 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)F 7a_100009887730_100009817552 [1,1,0,0,0,0|1,1,0]=4 10056 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)I 34a_100000725334_100009817552 [1,1,0,0,0,0|1,1,0]=4 10057 B13R1.164 C[C@@H](O)COc1ccc(nc1Br)I 7a_100000725334_100009817552 [1,1,0,0,0,0|1,1,0]=4 10058 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Br 34a_100010246206_100009817552 [1,1,0,0,0,0|1,1,0]=4 10059 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Br 7a_100010246206_100009817552 [1,1,0,0,0,0|1,1,0]=4 10060 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Cl 34a_100000101165_100009817552 [1,1,0,0,0,0|1,0,0]=3 10061 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)Cl 7a_100000101165_100009817552 [1,1,0,0,0,0|1,0,0]=3 10062 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)I 34a_100000721234_100009817552 [1,1,0,0,0,0|1,1,0]=4 10063 B13R1.164 C[C@@H](O)COc1ccc(nc1Cl)I 7a_100000721234_100009817552 [1,1,0,0,0,0|1,1,0]=4 10064 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Br 34a_100009819667_100009817552 [1,1,0,0,0,0|1,1,0]=4 10065 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Br 7a_100009819667_100009817552 [1,1,0,0,0,0|1,1,0]=4 10066 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Cl 34a_100009880201_100009817552 [1,1,0,0,0,0|1,0,0]=3 10067 B13R1.164 C[C@@H](O)COc1ccc(nc1F)Cl 7a_100009880201_100009817552 [1,1,0,0,0,0|1,0,0]=3 10068 B13R1.164 C[C@@H](O)COc1ccc(nc1F)F 34a_100000101184_100009817552 [1,1,0,0,0,0|1,1,0]=4 10069 B13R1.164 C[C@@H](O)COc1ccc(nc1F)F 7a_100000101184_100009817552 [1,1,0,0,0,0|1,1,0]=4 10070 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Br 34a_100010253912_100009817552 [1,1,0,0,0,0|1,1,0]=4 10071 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Br 7a_100010253912_100009817552 [1,1,0,0,0,0|1,1,0]=4 10072 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Cl 34a_100000696390_100009817552 [1,1,0,0,0,0|1,0,0]=3 10073 B13R1.164 C[C@@H](O)COc1ccc(nc1I)Cl 7a_100000696390_100009817552 [1,1,0,0,0,0|1,0,0]=3 10074 B13R1.164 C[C@@H](O)COc1ccc(nc1I)F 34a_100010382442_100009817552 [1,1,0,0,0,0|1,1,0]=4 10075 B13R1.164 C[C@@H](O)COc1ccc(nc1I)F 7a_100010382442_100009817552 [1,1,0,0,0,0|1,1,0]=4 10076 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Br 34a_100000685527_100009817552 [1,1,0,0,0,0|1,1,0]=4 10077 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Br 7a_100000685527_100009817552 [1,1,0,0,0,0|1,1,0]=4 10078 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Cl 34a_100000717809_100009817552 [1,1,0,0,0,0|1,0,0]=3 10079 B13R1.164 C[C@@H](O)COc1ccc(nc1N)Cl 7a_100000717809_100009817552 [1,1,0,0,0,0|1,0,0]=3 10080 B13R1.164 C[C@@H](O)COc1cnc(cc1Cl)Cl 34a_100009868576_100009817552 [1,1,0,0,0,0|1,0,0]=3 10081 B13R1.164 C[C@@H](O)COc1cnc(cc1Cl)Cl 7a_100009868576_100009817552 [1,1,0,0,0,0|1,0,0]=3 10082 B13R1.164 C[C@@H](O)COc1cnc(cc1F)F 34a_100009885687_100009817552 [1,1,0,0,0,0|1,1,0]=4 10083 B13R1.164 C[C@@H](O)COc1cnc(cc1F)F 7a_100009885687_100009817552 [1,1,0,0,0,0|1,1,0]=4 10084 B13R1.164 C[C@@H](O)COc1cnc(cc1I)Cl 34a_100000698892_100009817552 [1,1,0,0,0,0|1,0,0]=3 10085 B13R1.164 C[C@@H](O)COc1cnc(cc1I)Cl 7a_100000698892_100009817552 [1,1,0,0,0,0|1,0,0]=3 10086 B13R1.164 C[C@@H](O)COc1cnc(cc1N)Br 34a_100009819941_100009817552 [1,1,0,0,0,0|1,1,0]=4 10087 B13R1.164 C[C@@H](O)COc1cnc(cc1N)Br 7a_100009819941_100009817552 [1,1,0,0,0,0|1,1,0]=4 10088 B13R1.164 C[C@@H](O)COc1cnc(nc1Cl)Cl 34a_100010725077_100009817552 [1,1,0,0,0,0|2,0,0]=4 10089 B13R1.164 C[C@@H](O)COc1cnc(nc1Cl)Cl 7a_100010725077_100009817552 [1,1,0,0,0,0|2,0,0]=4 10090 B13R1.164 C[C@@H](O)COc1ncc(cc1Br)Br 34a_100000701035_100009817552 [1,1,0,0,0,0|1,1,0]=4 10091 B13R1.164 C[C@@H](O)COc1ncc(cc1Cl)Br 34a_100012339560_100009817552 [1,1,0,0,0,0|1,1,0]=4 10092 B13R1.164 C[C@@H](O)COc1ncc(cc1Cl)F 34a_100009847679_100009817552 [1,1,0,0,0,0|1,1,0]=4 10093 B13R1.164 C[C@@H](O)COc1ncc(cc1F)Cl 34a_100011998252_100009817552 [1,1,0,0,0,0|1,0,0]=3 10094 B13R1.164 C[C@@H](O)COc1ncc(cc1F)F 34a_100012025737_100009817552 [1,1,0,0,0,0|1,1,0]=4 10095 B13R1.164 C[C@@H](O)COc1ncc(cc1N)Br 34a_100000743729_100009817552 [1,1,0,0,0,0|1,1,0]=4 10096 B13R1.164 C[C@@H](O)COc1ncc(cc1N)Cl 34a_100011998249_100009817552 [1,1,0,0,0,0|1,0,0]=3 10097 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Br 62a_100009817552_100011484698 [1,1,0,0,0,0|0,2,0]=4 10098 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Br 62a_100011484698_100009817552 [1,1,0,0,0,0|0,2,0]=4 10099 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Cl 62a_100009817552_100011219703 [1,1,0,0,0,0|0,1,0]=3 10100 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)Cl 62a_100011219703_100009817552 [1,1,0,0,0,0|0,1,0]=3 10101 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)F 62a_100009817552_100011217111 [1,1,0,0,0,0|0,2,0]=4 10102 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)F 62a_100011217111_100009817552 [1,1,0,0,0,0|0,2,0]=4 10103 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)N 62a_100000750458_100009817552 [1,1,0,0,0,0|1,1,0]=4 10104 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)N 62a_100009817552_100000750458 [1,1,0,0,0,0|1,1,0]=4 10105 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100000701344_100009817552 [1,1,0,0,0,0|1,1,0]=4 10106 B13R1.164 C[C@@H](O)CSc1ccc(cc1Br)O 62a_100009817552_100000701344 [1,1,0,0,0,0|1,1,0]=4 10107 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100009817552_100011216062 [1,1,0,0,0,0|0,2,0]=4 10108 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Br 62a_100011216062_100009817552 [1,1,0,0,0,0|0,2,0]=4 10109 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100009817552 [1,1,0,0,0,0|0,1,0]=3 10110 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)Cl 62a_100009817552_100000699841 [1,1,0,0,0,0|0,1,0]=3 10111 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100000733362_100009817552 [1,1,0,0,0,0|0,2,0]=4 10112 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)F 62a_100009817552_100000733362 [1,1,0,0,0,0|0,2,0]=4 10113 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100000761885_100009817552 [1,1,0,0,0,0|1,1,0]=4 10114 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)N 62a_100009817552_100000761885 [1,1,0,0,0,0|1,1,0]=4 10115 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100000047559_100009817552 [1,1,0,0,0,0|1,1,0]=4 10116 B13R1.164 C[C@@H](O)CSc1ccc(cc1Cl)O 62a_100009817552_100000047559 [1,1,0,0,0,0|1,1,0]=4 10117 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Br 62a_100009814013_100009817552 [1,1,0,0,0,0|0,2,0]=4 10118 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Br 62a_100009817552_100009814013 [1,1,0,0,0,0|0,2,0]=4 10119 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Cl 62a_100009817552_100011216042 [1,1,0,0,0,0|0,1,0]=3 10120 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)Cl 62a_100011216042_100009817552 [1,1,0,0,0,0|0,1,0]=3 10121 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)F 62a_100000750030_100009817552 [1,1,0,0,0,0|0,2,0]=4 10122 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)F 62a_100009817552_100000750030 [1,1,0,0,0,0|0,2,0]=4 10123 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)N 62a_100009817552_100011356925 [1,1,0,0,0,0|1,1,0]=4 10124 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)N 62a_100011356925_100009817552 [1,1,0,0,0,0|1,1,0]=4 10125 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100000755031_100009817552 [1,1,0,0,0,0|1,1,0]=4 10126 B13R1.164 C[C@@H](O)CSc1ccc(cc1F)O 62a_100009817552_100000755031 [1,1,0,0,0,0|1,1,0]=4 10127 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Br 62a_100000743836_100009817552 [1,1,0,0,0,0|0,2,0]=4 10128 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Br 62a_100009817552_100000743836 [1,1,0,0,0,0|0,2,0]=4 10129 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Cl 62a_100000761886_100009817552 [1,1,0,0,0,0|0,1,0]=3 10130 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)Cl 62a_100009817552_100000761886 [1,1,0,0,0,0|0,1,0]=3 10131 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)F 62a_100000687223_100009817552 [1,1,0,0,0,0|0,2,0]=4 10132 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)F 62a_100009817552_100000687223 [1,1,0,0,0,0|0,2,0]=4 10133 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)N 62a_100009817552_200012175722 [1,1,0,0,0,0|1,1,0]=4 10134 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)N 62a_200012175722_100009817552 [1,1,0,0,0,0|1,1,0]=4 10135 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100009817552_100011999798 [1,1,0,0,0,0|1,1,0]=4 10136 B13R1.164 C[C@@H](O)CSc1ccc(cc1N)O 62a_100011999798_100009817552 [1,1,0,0,0,0|1,1,0]=4 10137 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Br 62a_100009817552_100012344904 [1,1,0,0,0,0|0,2,0]=4 10138 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Br 62a_100012344904_100009817552 [1,1,0,0,0,0|0,2,0]=4 10139 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Cl 62a_100000050036_100009817552 [1,1,0,0,0,0|0,1,0]=3 10140 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)Cl 62a_100009817552_100000050036 [1,1,0,0,0,0|0,1,0]=3 10141 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)F 62a_100000690578_100009817552 [1,1,0,0,0,0|0,2,0]=4 10142 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)F 62a_100009817552_100000690578 [1,1,0,0,0,0|0,2,0]=4 10143 B13R1.164 C[C@@H](O)CSc1ccc(cc1O)O 62a_100009817552_100009813921 [1,1,0,0,0,0|1,1,0]=4 10144 B13R1.164 C[C@@H](O)CSc1ccc(nc1Cl)Cl 62a_100009817552_100000043682 [1,1,0,0,0,0|1,1,0]=4 10145 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)Cl 62a_100009817552_100010168078 [1,1,0,0,0,0|1,1,0]=4 10146 B13R1.164 C[C@@H](O)CSc1ccc(nc1F)Cl 62a_100010168078_100009817552 [1,1,0,0,0,0|1,1,0]=4 10147 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)Cl 62a_100009817552_100010171640 [1,1,0,0,0,0|1,1,0]=4 10148 B13R1.164 C[C@@H](O)CSc1ccc(nc1N)Cl 62a_100010171640_100009817552 [1,1,0,0,0,0|1,1,0]=4 10149 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Cl 62a_100009817552_100010200927 [1,1,0,0,0,0|1,1,0]=4 10150 B13R1.164 C[C@@H](O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100009817552 [1,1,0,0,0,0|1,1,0]=4 10151 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)Cl 62a_100009817552_100010128100 [1,1,0,0,0,0|1,1,0]=4 10152 B13R1.164 C[C@@H](O)CSc1cnc(cc1F)Cl 62a_100010128100_100009817552 [1,1,0,0,0,0|1,1,0]=4 10153 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)Cl 62a_100009817552_100010209552 [1,1,0,0,0,0|1,1,0]=4 10154 B13R1.164 C[C@@H](O)CSc1cnc(cc1N)Cl 62a_100010209552_100009817552 [1,1,0,0,0,0|1,1,0]=4 10155 B13R1.164 C[C@@H](O)CSc1ncc(cc1Br)Cl 62a_100009817552_100012154958 [1,1,0,0,0,0|1,1,0]=4 10156 B13R1.164 C[C@@H](O)CSc1ncc(cc1Br)Cl 62a_100012154958_100009817552 [1,1,0,0,0,0|1,1,0]=4 10157 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Cl 62a_100009817552_100012348686 [1,1,0,0,0,0|1,1,0]=4 10158 B13R1.164 C[C@@H](O)CSc1ncc(cc1F)Cl 62a_100012348686_100009817552 [1,1,0,0,0,0|1,1,0]=4 10159 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Cl 62a_100009817552_100010233512 [1,1,0,0,0,0|1,1,0]=4 10160 B13R1.164 C[C@@H](O)CSc1ncc(cc1O)Cl 62a_100010233512_100009817552 [1,1,0,0,0,0|1,1,0]=4 10161 B13R1.164 Cc1cc(=O)c(co1)OCC(C)O 34a_100000081520_100011218427 [1,1,0,0,0,0|2,0,0]=4 10162 B13R1.164 Cc1cc(=O)c(co1)OC[C@@H](C)O 34a_100000081520_100009817552 [1,1,0,0,0,0|2,0,0]=4 10163 B13R1.164 Cc1cc(c(cn1)OCC(C)O)Br 34a_100009843476_100011218427 [1,1,0,0,0,0|2,0,0]=4 10164 B13R1.164 Cc1cc(c(cn1)OCC(C)O)Br 7a_100009843476_100011218427 [1,1,0,0,0,0|2,0,0]=4 10165 B13R1.164 Cc1cc(c(cn1)OCC(C)O)C 34a_200000068632_100011218427 [1,1,0,0,0,0|2,0,0]=4 10166 B13R1.164 Cc1cc(c(cn1)OCC(C)O)C 7a_200000068632_100011218427 [1,1,0,0,0,0|2,0,0]=4 10167 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)Br 34a_100009843476_100009817552 [1,1,0,0,0,0|2,0,0]=4 10168 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)Br 7a_100009843476_100009817552 [1,1,0,0,0,0|2,0,0]=4 10169 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)C 34a_200000068632_100009817552 [1,1,0,0,0,0|2,0,0]=4 10170 B13R1.164 Cc1cc(c(cn1)OC[C@@H](C)O)C 7a_200000068632_100009817552 [1,1,0,0,0,0|2,0,0]=4 10171 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [1,1,0,0,0,0|1,0,1]=4 10172 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 34a_100000210418_100000210624 [1,1,0,0,0,0|2,0,0]=4 10173 B13R1.164 Cc1cc(ccc1NCC(C)C)Cl 7a_100000210418_100000210760 [1,1,0,0,0,0|2,0,0]=4 10174 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 34a_100000211769_100011218427 [1,1,0,0,0,0|1,1,0]=4 10175 B13R1.164 Cc1cc(ccc1NCC(C)O)Br 7a_100000211769_100011218427 [1,1,0,0,0,0|1,1,0]=4 10176 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 34a_100000210418_100011218427 [1,1,0,0,0,0|1,0,0]=3 10177 B13R1.164 Cc1cc(ccc1NCC(C)O)Cl 7a_100000210418_100011218427 [1,1,0,0,0,0|1,0,0]=3 10178 B13R1.164 Cc1cc(ccc1NCC(C)O)F 34a_100000211637_100011218427 [1,1,0,0,0,0|1,1,0]=4 10179 B13R1.164 Cc1cc(ccc1NCC(C)O)F 7a_100000211637_100011218427 [1,1,0,0,0,0|1,1,0]=4 10180 B13R1.164 Cc1cc(ccc1NCC(C)O)I 34a_100000184554_100011218427 [1,1,0,0,0,0|1,1,0]=4 10181 B13R1.164 Cc1cc(ccc1NCC(C)O)I 7a_100000184554_100011218427 [1,1,0,0,0,0|1,1,0]=4 10182 B13R1.164 Cc1cc(ccc1NCC(C)O)O 34a_100000756630_100011218427 [1,1,0,0,0,0|2,0,0]=4 10183 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 34a_100000211769_100009817552 [1,1,0,0,0,0|1,1,0]=4 10184 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Br 7a_100000211769_100009817552 [1,1,0,0,0,0|1,1,0]=4 10185 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 34a_100000210418_100009817552 [1,1,0,0,0,0|1,0,0]=3 10186 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)Cl 7a_100000210418_100009817552 [1,1,0,0,0,0|1,0,0]=3 10187 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 34a_100000211637_100009817552 [1,1,0,0,0,0|1,1,0]=4 10188 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)F 7a_100000211637_100009817552 [1,1,0,0,0,0|1,1,0]=4 10189 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 34a_100000184554_100009817552 [1,1,0,0,0,0|1,1,0]=4 10190 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)I 7a_100000184554_100009817552 [1,1,0,0,0,0|1,1,0]=4 10191 B13R1.164 Cc1cc(ccc1NC[C@@H](C)O)O 34a_100000756630_100009817552 [1,1,0,0,0,0|2,0,0]=4 10192 B13R1.164 Cc1cc(ccc1OCC(=O)[13CH3])Cl 1458a_100000182498_200025704644 [1,1,0,0,0,0|0,0,2]=4 10193 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 34a_100000186361_100000210624 [1,1,0,0,0,0|1,1,0]=4 10194 B13R1.164 Cc1cc(ccc1OCC(C)C)Br 7a_100000186361_100000210760 [1,1,0,0,0,0|1,1,0]=4 10195 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 34a_100000211091_100000210624 [1,1,0,0,0,0|1,0,0]=3 10196 B13R1.164 Cc1cc(ccc1OCC(C)C)Cl 7a_100000211091_100000210760 [1,1,0,0,0,0|1,0,0]=3 10197 B13R1.164 Cc1cc(ccc1OCC(C)C)F 34a_100000764316_100000210624 [1,1,0,0,0,0|1,1,0]=4 10198 B13R1.164 Cc1cc(ccc1OCC(C)C)F 7a_100000764316_100000210760 [1,1,0,0,0,0|1,1,0]=4 10199 B13R1.164 Cc1cc(ccc1OCC(C)C)I 34a_100011218673_100000210624 [1,1,0,0,0,0|1,1,0]=4 10200 B13R1.164 Cc1cc(ccc1OCC(C)C)I 7a_100011218673_100000210760 [1,1,0,0,0,0|1,1,0]=4 10201 B13R1.164 Cc1cc(ccc1OCC(C)C)N 34a_100011218179_100000210624 [1,1,0,0,0,0|2,0,0]=4 10202 B13R1.164 Cc1cc(ccc1OCC(C)C)N 7a_100011218179_100000210760 [1,1,0,0,0,0|2,0,0]=4 10203 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 34a_100000186361_100011218427 [1,1,0,0,0,0|0,1,0]=3 10204 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 7a_100000186361_100011218427 [1,1,0,0,0,0|0,1,0]=3 10205 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 34a_100000211091_100011218427 [1,1,0,0,0,0|0,0,0]=2 10206 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 7a_100000211091_100011218427 [1,1,0,0,0,0|0,0,0]=2 10207 B13R1.164 Cc1cc(ccc1OCC(C)O)F 34a_100000764316_100011218427 [1,1,0,0,0,0|0,1,0]=3 10208 B13R1.164 Cc1cc(ccc1OCC(C)O)F 7a_100000764316_100011218427 [1,1,0,0,0,0|0,1,0]=3 10209 B13R1.164 Cc1cc(ccc1OCC(C)O)I 34a_100011218673_100011218427 [1,1,0,0,0,0|0,1,0]=3 10210 B13R1.164 Cc1cc(ccc1OCC(C)O)I 7a_100011218673_100011218427 [1,1,0,0,0,0|0,1,0]=3 10211 B13R1.164 Cc1cc(ccc1OCC(C)O)N 34a_100011218179_100011218427 [1,1,0,0,0,0|1,0,0]=3 10212 B13R1.164 Cc1cc(ccc1OCC(C)O)N 7a_100011218179_100011218427 [1,1,0,0,0,0|1,0,0]=3 10213 B13R1.164 Cc1cc(ccc1OCC(F)F)Cl 34a_100000211091_100011934356 [1,1,0,0,0,0|2,0,0]=4 10214 B13R1.164 Cc1cc(ccc1OCC(F)F)Cl 7a_100000211091_100011934356 [1,1,0,0,0,0|2,0,0]=4 10215 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 34a_100000186361_100009817552 [1,1,0,0,0,0|0,1,0]=3 10216 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 7a_100000186361_100009817552 [1,1,0,0,0,0|0,1,0]=3 10217 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 34a_100000211091_100009817552 [1,1,0,0,0,0|0,0,0]=2 10218 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 7a_100000211091_100009817552 [1,1,0,0,0,0|0,0,0]=2 10219 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 34a_100000764316_100009817552 [1,1,0,0,0,0|0,1,0]=3 10220 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 7a_100000764316_100009817552 [1,1,0,0,0,0|0,1,0]=3 10221 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 34a_100011218673_100009817552 [1,1,0,0,0,0|0,1,0]=3 10222 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 7a_100011218673_100009817552 [1,1,0,0,0,0|0,1,0]=3 10223 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 34a_100011218179_100009817552 [1,1,0,0,0,0|1,0,0]=3 10224 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 7a_100011218179_100009817552 [1,1,0,0,0,0|1,0,0]=3 10225 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100000210624_100011219607 [1,1,0,0,0,0|1,1,0]=4 10226 B13R1.164 Cc1cc(ccc1SCC(C)C)Cl 62a_100011219607_100000210760 [1,1,0,0,0,0|1,1,0]=4 10227 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100000701812_100011218427 [1,1,0,0,0,0|0,2,0]=4 10228 B13R1.164 Cc1cc(ccc1SCC(C)O)Br 62a_100011218427_100000701812 [1,1,0,0,0,0|0,2,0]=4 10229 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011218427_100011219607 [1,1,0,0,0,0|0,1,0]=3 10230 B13R1.164 Cc1cc(ccc1SCC(C)O)Cl 62a_100011219607_100011218427 [1,1,0,0,0,0|0,1,0]=3 10231 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011205405_100011218427 [1,1,0,0,0,0|0,2,0]=4 10232 B13R1.164 Cc1cc(ccc1SCC(C)O)F 62a_100011218427_100011205405 [1,1,0,0,0,0|0,2,0]=4 10233 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100000210723_100011218427 [1,1,0,0,0,0|1,1,0]=4 10234 B13R1.164 Cc1cc(ccc1SCC(C)O)N 62a_100011218427_100000210723 [1,1,0,0,0,0|1,1,0]=4 10235 B13R1.164 Cc1cc(ccc1SCC(C)O)O 62a_100011218427_100000690111 [1,1,0,0,0,0|1,1,0]=4 10236 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100000701812_100009817552 [1,1,0,0,0,0|0,2,0]=4 10237 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Br 62a_100009817552_100000701812 [1,1,0,0,0,0|0,2,0]=4 10238 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100011219607 [1,1,0,0,0,0|0,1,0]=3 10239 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)Cl 62a_100011219607_100009817552 [1,1,0,0,0,0|0,1,0]=3 10240 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100009817552_100011205405 [1,1,0,0,0,0|0,2,0]=4 10241 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)F 62a_100011205405_100009817552 [1,1,0,0,0,0|0,2,0]=4 10242 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100000210723_100009817552 [1,1,0,0,0,0|1,1,0]=4 10243 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)N 62a_100009817552_100000210723 [1,1,0,0,0,0|1,1,0]=4 10244 B13R1.164 Cc1cc(ccc1SC[C@@H](C)O)O 62a_100009817552_100000690111 [1,1,0,0,0,0|1,1,0]=4 10245 B13R1.164 Cc1cc(cnc1OCC(C)O)Br 34a_100000685391_100011218427 [1,1,0,0,0,0|1,1,0]=4 10246 B13R1.164 Cc1cc(cnc1OC[C@@H](C)O)Br 34a_100000685391_100009817552 [1,1,0,0,0,0|1,1,0]=4 10247 B13R1.164 Cc1cc(ncc1OCC(C)C)Cl 34a_100000692680_100000210624 [1,1,0,0,0,0|2,0,0]=4 10248 B13R1.164 Cc1cc(ncc1OCC(C)C)Cl 7a_100000692680_100000210760 [1,1,0,0,0,0|2,0,0]=4 10249 B13R1.164 Cc1cc(ncc1OCC(C)O)Cl 34a_100000692680_100011218427 [1,1,0,0,0,0|1,0,0]=3 10250 B13R1.164 Cc1cc(ncc1OCC(C)O)Cl 7a_100000692680_100011218427 [1,1,0,0,0,0|1,0,0]=3 10251 B13R1.164 Cc1cc(ncc1OCC(C)O)F 34a_100009856773_100011218427 [1,1,0,0,0,0|1,1,0]=4 10252 B13R1.164 Cc1cc(ncc1OCC(C)O)F 7a_100009856773_100011218427 [1,1,0,0,0,0|1,1,0]=4 10253 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)Cl 34a_100000692680_100009817552 [1,1,0,0,0,0|1,0,0]=3 10254 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)Cl 7a_100000692680_100009817552 [1,1,0,0,0,0|1,0,0]=3 10255 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)F 34a_100009856773_100009817552 [1,1,0,0,0,0|1,1,0]=4 10256 B13R1.164 Cc1cc(ncc1OC[C@@H](C)O)F 7a_100009856773_100009817552 [1,1,0,0,0,0|1,1,0]=4 10257 B13R1.164 Cc1cc(ncc1SCC(C)O)Cl 62a_100010172789_100011218427 [1,1,0,0,0,0|1,1,0]=4 10258 B13R1.164 Cc1cc(ncc1SCC(C)O)Cl 62a_100011218427_100010172789 [1,1,0,0,0,0|1,1,0]=4 10259 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Cl 62a_100009817552_100010172789 [1,1,0,0,0,0|1,1,0]=4 10260 B13R1.164 Cc1cc(ncc1SC[C@@H](C)O)Cl 62a_100010172789_100009817552 [1,1,0,0,0,0|1,1,0]=4 10261 B13R1.164 Cc1ccc(c(c1)Br)NCC(C)O 34a_100000210942_100011218427 [1,1,0,0,0,0|2,0,0]=4 10262 B13R1.164 Cc1ccc(c(c1)Br)NC[C@@H](C)O 34a_100000210942_100009817552 [1,1,0,0,0,0|2,0,0]=4 10263 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 34a_100000210800_100000210624 [1,1,0,0,0,0|2,0,0]=4 10264 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)C 7a_100000210800_100000210760 [1,1,0,0,0,0|2,0,0]=4 10265 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 34a_100000210800_100011218427 [1,1,0,0,0,0|1,0,0]=3 10266 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 7a_100000210800_100011218427 [1,1,0,0,0,0|1,0,0]=3 10267 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 34a_100000210800_100009817552 [1,1,0,0,0,0|1,0,0]=3 10268 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 7a_100000210800_100009817552 [1,1,0,0,0,0|1,0,0]=3 10269 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)O 62a_100009813563_100011218427 [1,1,0,0,0,0|1,1,0]=4 10270 B13R1.164 Cc1ccc(c(c1)Br)SCC(C)O 62a_100011218427_100009813563 [1,1,0,0,0,0|1,1,0]=4 10271 B13R1.164 Cc1ccc(c(c1)Br)SC[C@@H](C)O 62a_100009813563_100009817552 [1,1,0,0,0,0|1,1,0]=4 10272 B13R1.164 Cc1ccc(c(c1)Br)SC[C@@H](C)O 62a_100009817552_100009813563 [1,1,0,0,0,0|1,1,0]=4 10273 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 34a_100000736561_100011218427 [1,1,0,0,0,0|2,0,0]=4 10274 B13R1.164 Cc1ccc(c(c1)C)NCC(C)O 7a_100000736561_100011218427 [1,1,0,0,0,0|2,0,0]=4 10275 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 34a_100000736561_100009817552 [1,1,0,0,0,0|2,0,0]=4 10276 B13R1.164 Cc1ccc(c(c1)C)NC[C@@H](C)O 7a_100000736561_100009817552 [1,1,0,0,0,0|2,0,0]=4 10277 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 34a_100000211776_100000210624 [1,1,0,0,0,0|2,0,0]=4 10278 B13R1.164 Cc1ccc(c(c1)C)OCC(C)C 7a_100000211776_100000210760 [1,1,0,0,0,0|2,0,0]=4 10279 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 34a_100000211776_100011218427 [1,1,0,0,0,0|1,0,0]=3 10280 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 7a_100000211776_100011218427 [1,1,0,0,0,0|1,0,0]=3 10281 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 34a_100000211776_100009817552 [1,1,0,0,0,0|1,0,0]=3 10282 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 7a_100000211776_100009817552 [1,1,0,0,0,0|1,0,0]=3 10283 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011217332_100011218427 [1,1,0,0,0,0|1,1,0]=4 10284 B13R1.164 Cc1ccc(c(c1)C)SCC(C)O 62a_100011218427_100011217332 [1,1,0,0,0,0|1,1,0]=4 10285 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100009817552_100011217332 [1,1,0,0,0,0|1,1,0]=4 10286 B13R1.164 Cc1ccc(c(c1)C)SC[C@@H](C)O 62a_100011217332_100009817552 [1,1,0,0,0,0|1,1,0]=4 10287 B13R1.164 Cc1ccc(c(c1)Cl)NCC(C)O 34a_100000210522_100011218427 [1,1,0,0,0,0|2,0,0]=4 10288 B13R1.164 Cc1ccc(c(c1)Cl)NC[C@@H](C)O 34a_100000210522_100009817552 [1,1,0,0,0,0|2,0,0]=4 10289 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 34a_100000749699_100000210624 [1,1,0,0,0,0|2,0,0]=4 10290 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)C 7a_100000749699_100000210760 [1,1,0,0,0,0|2,0,0]=4 10291 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 34a_100000749699_100011218427 [1,1,0,0,0,0|1,0,0]=3 10292 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 7a_100000749699_100011218427 [1,1,0,0,0,0|1,0,0]=3 10293 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 34a_100000749699_100009817552 [1,1,0,0,0,0|1,0,0]=3 10294 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 7a_100000749699_100009817552 [1,1,0,0,0,0|1,0,0]=3 10295 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011218427_100011263221 [1,1,0,0,0,0|1,1,0]=4 10296 B13R1.164 Cc1ccc(c(c1)Cl)SCC(C)O 62a_100011263221_100011218427 [1,1,0,0,0,0|1,1,0]=4 10297 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100009817552_100011263221 [1,1,0,0,0,0|1,1,0]=4 10298 B13R1.164 Cc1ccc(c(c1)Cl)SC[C@@H](C)O 62a_100011263221_100009817552 [1,1,0,0,0,0|1,1,0]=4 10299 B13R1.164 Cc1ccc(c(c1)F)NCC(C)O 34a_100000211023_100011218427 [1,1,0,0,0,0|2,0,0]=4 10300 B13R1.164 Cc1ccc(c(c1)F)NC[C@@H](C)O 34a_100000211023_100009817552 [1,1,0,0,0,0|2,0,0]=4 10301 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 34a_100011216688_100000210624 [1,1,0,0,0,0|2,0,0]=4 10302 B13R1.164 Cc1ccc(c(c1)F)OCC(C)C 7a_100011216688_100000210760 [1,1,0,0,0,0|2,0,0]=4 10303 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 34a_100011216688_100011218427 [1,1,0,0,0,0|1,0,0]=3 10304 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 7a_100011216688_100011218427 [1,1,0,0,0,0|1,0,0]=3 10305 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 34a_100011216688_100009817552 [1,1,0,0,0,0|1,0,0]=3 10306 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 7a_100011216688_100009817552 [1,1,0,0,0,0|1,0,0]=3 10307 B13R1.164 Cc1ccc(c(c1)F)SCC(C)O 62a_100011216119_100011218427 [1,1,0,0,0,0|1,1,0]=4 10308 B13R1.164 Cc1ccc(c(c1)F)SCC(C)O 62a_100011218427_100011216119 [1,1,0,0,0,0|1,1,0]=4 10309 B13R1.164 Cc1ccc(c(c1)F)SC[C@@H](C)O 62a_100009817552_100011216119 [1,1,0,0,0,0|1,1,0]=4 10310 B13R1.164 Cc1ccc(c(c1)F)SC[C@@H](C)O 62a_100011216119_100009817552 [1,1,0,0,0,0|1,1,0]=4 10311 B13R1.164 Cc1ccc(c(c1)I)NCC(C)O 34a_100011356834_100011218427 [1,1,0,0,0,0|2,0,0]=4 10312 B13R1.164 Cc1ccc(c(c1)I)NC[C@@H](C)O 34a_100011356834_100009817552 [1,1,0,0,0,0|2,0,0]=4 10313 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 34a_100000765521_100000210624 [1,1,0,0,0,0|2,0,0]=4 10314 B13R1.164 Cc1ccc(c(c1)I)OCC(C)C 7a_100000765521_100000210760 [1,1,0,0,0,0|2,0,0]=4 10315 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 34a_100000765521_100011218427 [1,1,0,0,0,0|1,0,0]=3 10316 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 7a_100000765521_100011218427 [1,1,0,0,0,0|1,0,0]=3 10317 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 34a_100000765521_100009817552 [1,1,0,0,0,0|1,0,0]=3 10318 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 7a_100000765521_100009817552 [1,1,0,0,0,0|1,0,0]=3 10319 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 34a_100011215204_100000210624 [1,1,0,0,0,0|2,0,0]=4 10320 B13R1.164 Cc1ccc(c(c1)N)OCC(C)C 7a_100011215204_100000210760 [1,1,0,0,0,0|2,0,0]=4 10321 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 34a_100011215204_100011218427 [1,1,0,0,0,0|1,0,0]=3 10322 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 7a_100011215204_100011218427 [1,1,0,0,0,0|1,0,0]=3 10323 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 34a_100011215204_100009817552 [1,1,0,0,0,0|1,0,0]=3 10324 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 7a_100011215204_100009817552 [1,1,0,0,0,0|1,0,0]=3 10325 B13R1.164 Cc1ccc(c(c1)N)SCC(C)O 62a_100011216686_100011218427 [1,1,0,0,0,0|1,1,0]=4 10326 B13R1.164 Cc1ccc(c(c1)N)SCC(C)O 62a_100011218427_100011216686 [1,1,0,0,0,0|1,1,0]=4 10327 B13R1.164 Cc1ccc(c(c1)N)SC[C@@H](C)O 62a_100009817552_100011216686 [1,1,0,0,0,0|1,1,0]=4 10328 B13R1.164 Cc1ccc(c(c1)N)SC[C@@H](C)O 62a_100011216686_100009817552 [1,1,0,0,0,0|1,1,0]=4 10329 B13R1.164 Cc1ccc(c(c1)O)NCC(C)O 34a_100000211527_100011218427 [1,1,0,0,0,0|2,0,0]=4 10330 B13R1.164 Cc1ccc(c(c1)O)NC[C@@H](C)O 34a_100000211527_100009817552 [1,1,0,0,0,0|2,0,0]=4 10331 B13R1.164 Cc1ccc(c(c1)O)SCC(C)O 62a_100011218427_100012002257 [1,1,0,0,0,0|1,1,0]=4 10332 B13R1.164 Cc1ccc(c(c1)O)SCC(C)O 62a_100012002257_100011218427 [1,1,0,0,0,0|1,1,0]=4 10333 B13R1.164 Cc1ccc(c(c1)O)SC[C@@H](C)O 62a_100009817552_100012002257 [1,1,0,0,0,0|1,1,0]=4 10334 B13R1.164 Cc1ccc(c(c1)O)SC[C@@H](C)O 62a_100012002257_100009817552 [1,1,0,0,0,0|1,1,0]=4 10335 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)O 34a_100000702858_100011218427 [1,1,0,0,0,0|2,0,0]=4 10336 B13R1.164 Cc1ccc(c(n1)Br)OCC(C)O 7a_100000702858_100011218427 [1,1,0,0,0,0|2,0,0]=4 10337 B13R1.164 Cc1ccc(c(n1)Br)OC[C@@H](C)O 34a_100000702858_100009817552 [1,1,0,0,0,0|2,0,0]=4 10338 B13R1.164 Cc1ccc(c(n1)Br)OC[C@@H](C)O 7a_100000702858_100009817552 [1,1,0,0,0,0|2,0,0]=4 10339 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 34a_100011218912_100011218427 [1,1,0,0,0,0|2,0,0]=4 10340 B13R1.164 Cc1ccc(c(n1)C)OCC(C)O 7a_100011218912_100011218427 [1,1,0,0,0,0|2,0,0]=4 10341 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 34a_100011218912_100009817552 [1,1,0,0,0,0|2,0,0]=4 10342 B13R1.164 Cc1ccc(c(n1)C)OC[C@@H](C)O 7a_100011218912_100009817552 [1,1,0,0,0,0|2,0,0]=4 10343 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)O 34a_100000086286_100011218427 [1,1,0,0,0,0|2,0,0]=4 10344 B13R1.164 Cc1ccc(c(n1)Cl)OCC(C)O 7a_100000086286_100011218427 [1,1,0,0,0,0|2,0,0]=4 10345 B13R1.164 Cc1ccc(c(n1)Cl)OC[C@@H](C)O 34a_100000086286_100009817552 [1,1,0,0,0,0|2,0,0]=4 10346 B13R1.164 Cc1ccc(c(n1)Cl)OC[C@@H](C)O 7a_100000086286_100009817552 [1,1,0,0,0,0|2,0,0]=4 10347 B13R1.164 Cc1ccc(c(n1)F)OCC(C)O 34a_100000079963_100011218427 [1,1,0,0,0,0|2,0,0]=4 10348 B13R1.164 Cc1ccc(c(n1)F)OCC(C)O 7a_100000079963_100011218427 [1,1,0,0,0,0|2,0,0]=4 10349 B13R1.164 Cc1ccc(c(n1)F)OC[C@@H](C)O 34a_100000079963_100009817552 [1,1,0,0,0,0|2,0,0]=4 10350 B13R1.164 Cc1ccc(c(n1)F)OC[C@@H](C)O 7a_100000079963_100009817552 [1,1,0,0,0,0|2,0,0]=4 10351 B13R1.164 Cc1ccc(c(n1)I)OCC(C)O 34a_100000023897_100011218427 [1,1,0,0,0,0|2,0,0]=4 10352 B13R1.164 Cc1ccc(c(n1)I)OCC(C)O 7a_100000023897_100011218427 [1,1,0,0,0,0|2,0,0]=4 10353 B13R1.164 Cc1ccc(c(n1)I)OC[C@@H](C)O 34a_100000023897_100009817552 [1,1,0,0,0,0|2,0,0]=4 10354 B13R1.164 Cc1ccc(c(n1)I)OC[C@@H](C)O 7a_100000023897_100009817552 [1,1,0,0,0,0|2,0,0]=4 10355 B13R1.164 Cc1ccc(c(n1)N)OCC(C)O 34a_100000694039_100011218427 [1,1,0,0,0,0|2,0,0]=4 10356 B13R1.164 Cc1ccc(c(n1)N)OCC(C)O 7a_100000694039_100011218427 [1,1,0,0,0,0|2,0,0]=4 10357 B13R1.164 Cc1ccc(c(n1)N)OC[C@@H](C)O 34a_100000694039_100009817552 [1,1,0,0,0,0|2,0,0]=4 10358 B13R1.164 Cc1ccc(c(n1)N)OC[C@@H](C)O 7a_100000694039_100009817552 [1,1,0,0,0,0|2,0,0]=4 10359 B13R1.164 Cc1cnc(c(c1)Br)OCC(C)O 34a_100000719714_100011218427 [1,1,0,0,0,0|2,0,0]=4 10360 B13R1.164 Cc1cnc(c(c1)Br)OC[C@@H](C)O 34a_100000719714_100009817552 [1,1,0,0,0,0|2,0,0]=4 10361 B13R1.164 Cc1cnc(c(c1)N)OCC(C)O 34a_100012000488_100011218427 [1,1,0,0,0,0|2,0,0]=4 10362 B13R1.164 Cc1cnc(c(c1)N)OC[C@@H](C)O 34a_100012000488_100009817552 [1,1,0,0,0,0|2,0,0]=4 10363 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 34a_100012184626_100000210624 [1,1,0,0,0,0|2,0,0]=4 10364 B13R1.164 Cc1nc(ccc1OCC(C)C)Cl 7a_100012184626_100000210760 [1,1,0,0,0,0|2,0,0]=4 10365 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 34a_100012002022_100011218427 [1,1,0,0,0,0|1,1,0]=4 10366 B13R1.164 Cc1nc(ccc1OCC(C)O)Br 7a_100012002022_100011218427 [1,1,0,0,0,0|1,1,0]=4 10367 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 34a_100012184626_100011218427 [1,1,0,0,0,0|1,0,0]=3 10368 B13R1.164 Cc1nc(ccc1OCC(C)O)Cl 7a_100012184626_100011218427 [1,1,0,0,0,0|1,0,0]=3 10369 B13R1.164 Cc1nc(ccc1OCC(C)O)F 34a_100009881036_100011218427 [1,1,0,0,0,0|1,1,0]=4 10370 B13R1.164 Cc1nc(ccc1OCC(C)O)F 7a_100009881036_100011218427 [1,1,0,0,0,0|1,1,0]=4 10371 B13R1.164 Cc1nc(ccc1OCC(C)O)I 34a_100010233687_100011218427 [1,1,0,0,0,0|1,1,0]=4 10372 B13R1.164 Cc1nc(ccc1OCC(C)O)I 7a_100010233687_100011218427 [1,1,0,0,0,0|1,1,0]=4 10373 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 34a_100012002022_100009817552 [1,1,0,0,0,0|1,1,0]=4 10374 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Br 7a_100012002022_100009817552 [1,1,0,0,0,0|1,1,0]=4 10375 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 34a_100012184626_100009817552 [1,1,0,0,0,0|1,0,0]=3 10376 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)Cl 7a_100012184626_100009817552 [1,1,0,0,0,0|1,0,0]=3 10377 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 34a_100009881036_100009817552 [1,1,0,0,0,0|1,1,0]=4 10378 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)F 7a_100009881036_100009817552 [1,1,0,0,0,0|1,1,0]=4 10379 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 34a_100010233687_100009817552 [1,1,0,0,0,0|1,1,0]=4 10380 B13R1.164 Cc1nc(ccc1OC[C@@H](C)O)I 7a_100010233687_100009817552 [1,1,0,0,0,0|1,1,0]=4 10381 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100000062408_100011218427 [1,1,0,0,0,0|1,1,0]=4 10382 B13R1.164 Cc1nc(ccc1SCC(C)O)Cl 62a_100011218427_100000062408 [1,1,0,0,0,0|1,1,0]=4 10383 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100000062408_100009817552 [1,1,0,0,0,0|1,1,0]=4 10384 B13R1.164 Cc1nc(ccc1SC[C@@H](C)O)Cl 62a_100009817552_100000062408 [1,1,0,0,0,0|1,1,0]=4 10385 B13R1.164 FC(F)COc1ccc(cc1Br)Cl 34a_100000211998_100011934356 [1,1,0,0,0,0|2,0,0]=4 10386 B13R1.164 FC(F)COc1ccc(cc1Br)Cl 7a_100000211998_100011934356 [1,1,0,0,0,0|2,0,0]=4 10387 B13R1.164 FC(F)COc1ccc(cc1Cl)Cl 34a_100015191787_100011934356 [1,1,0,0,0,0|2,0,0]=4 10388 B13R1.164 FC(F)COc1ccc(cc1Cl)Cl 7a_100015191787_100011934356 [1,1,0,0,0,0|2,0,0]=4 10389 B13R1.164 FC(F)COc1ccc(cc1I)Cl 34a_100011356953_100011934356 [1,1,0,0,0,0|2,0,0]=4 10390 B13R1.164 FC(F)COc1ccc(cc1I)Cl 7a_100011356953_100011934356 [1,1,0,0,0,0|2,0,0]=4 10391 B13R1.164 Fc1cc(ccc1OCC(F)F)Cl 34a_100000230166_100011934356 [1,1,0,0,0,0|2,0,0]=4 10392 B13R1.164 Fc1cc(ccc1OCC(F)F)Cl 7a_100000230166_100011934356 [1,1,0,0,0,0|2,0,0]=4 10393 B13R1.164 Nc1cc(ccc1OCC(F)F)Cl 34a_100000210500_100011934356 [1,1,0,0,0,0|2,0,0]=4 10394 B13R1.164 Nc1cc(ccc1OCC(F)F)Cl 7a_100000210500_100011934356 [1,1,0,0,0,0|2,0,0]=4 10395 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200025704644 [1,1,0,0,0,0|0,0,2]=4 10396 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [1,1,0,0,0,0|0,0,2]=4 10397 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200025704644 [1,1,0,0,0,0|0,0,2]=4 10398 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [1,1,0,0,0,0|0,0,2]=4 10399 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000748629 [1,1,0,0,0,0|1,0,1]=4 10400 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000748629 [1,1,0,0,0,0|1,0,1]=4 10401 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 34a_100000211092_100000748629 [1,1,0,0,0,0|1,0,1]=4 10402 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 7a_100000211092_100000748629 [1,1,0,0,0,0|1,0,1]=4 10403 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000748629 [1,1,0,0,0,0|1,0,1]=4 10404 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000748629 [1,1,0,0,0,0|1,0,1]=4 10405 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000748629 [1,1,0,0,0,0|1,0,1]=4 10406 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000748629 [1,1,0,0,0,0|1,0,1]=4 10407 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000748629 [1,1,0,0,0,0|1,0,1]=4 10408 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000748629 [1,1,0,0,0,0|1,0,1]=4 10409 B13R1.511 C=C(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000748629 [1,1,0,0,0,0|1,0,1]=4 10410 B13R1.511 CC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_200000210301 [1,1,0,0,0,0|0,0,2]=4 10411 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200000210301 [1,1,0,0,0,0|0,0,2]=4 10412 B13R1.511 CC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200000210301 [1,1,0,0,0,0|0,0,2]=4 10413 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210760 [1,1,0,0,0,0|2,0,0]=4 10414 B13R1.511 CC(C)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000210624 [1,1,0,0,0,0|2,0,0]=4 10415 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210760 [1,1,0,0,0,0|2,0,0]=4 10416 B13R1.511 CC(C)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000210624 [1,1,0,0,0,0|2,0,0]=4 10417 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210760 [1,1,0,0,0,0|2,0,0]=4 10418 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000210624 [1,1,0,0,0,0|2,0,0]=4 10419 B13R1.511 CC(C)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000210760 [1,1,0,0,0,0|2,0,0]=4 10420 B13R1.511 CC(C)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000210624 [1,1,0,0,0,0|2,0,0]=4 10421 B13R1.511 CC(C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000210624 [1,1,0,0,0,0|2,0,0]=4 10422 B13R1.511 CC(C)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210624 [1,1,0,0,0,0|2,0,0]=4 10423 B13R1.511 CC(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000210624 [1,1,0,0,0,0|1,0,0]=3 10424 B13R1.511 CC(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000210760 [1,1,0,0,0,0|1,0,0]=3 10425 B13R1.511 CC(C)COc1ccc(c(c1)Br)F 34a_100000693481_100000210624 [1,1,0,0,0,0|1,1,0]=4 10426 B13R1.511 CC(C)COc1ccc(c(c1)Br)F 7a_100000693481_100000210760 [1,1,0,0,0,0|1,1,0]=4 10427 B13R1.511 CC(C)COc1ccc(c(c1)Br)I 34a_100000701344_100000210624 [1,1,0,0,0,0|1,1,0]=4 10428 B13R1.511 CC(C)COc1ccc(c(c1)Br)I 7a_100000701344_100000210760 [1,1,0,0,0,0|1,1,0]=4 10429 B13R1.511 CC(C)COc1ccc(c(c1)Br)N 34a_100012001276_100000210624 [1,1,0,0,0,0|2,0,0]=4 10430 B13R1.511 CC(C)COc1ccc(c(c1)Br)N 7a_100012001276_100000210760 [1,1,0,0,0,0|2,0,0]=4 10431 B13R1.511 CC(C)COc1ccc(c(c1)Br)O 271570a_203496583355_201991077984 [1,1,0,0,0,0|2,0,0]=4 10432 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000210624 [1,1,0,0,0,0|1,1,0]=4 10433 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000210760 [1,1,0,0,0,0|1,1,0]=4 10434 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000210624 [1,1,0,0,0,0|1,0,0]=3 10435 B13R1.511 CC(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210760 [1,1,0,0,0,0|1,0,0]=3 10436 B13R1.511 CC(C)COc1ccc(c(c1)Cl)F 34a_100000211030_100000210624 [1,1,0,0,0,0|1,1,0]=4 10437 B13R1.511 CC(C)COc1ccc(c(c1)Cl)F 7a_100000211030_100000210760 [1,1,0,0,0,0|1,1,0]=4 10438 B13R1.511 CC(C)COc1ccc(c(c1)Cl)I 34a_100000047559_100000210624 [1,1,0,0,0,0|1,1,0]=4 10439 B13R1.511 CC(C)COc1ccc(c(c1)Cl)I 7a_100000047559_100000210760 [1,1,0,0,0,0|1,1,0]=4 10440 B13R1.511 CC(C)COc1ccc(c(c1)Cl)N 34a_100011215599_100000210624 [1,1,0,0,0,0|2,0,0]=4 10441 B13R1.511 CC(C)COc1ccc(c(c1)Cl)N 7a_100011215599_100000210760 [1,1,0,0,0,0|2,0,0]=4 10442 B13R1.511 CC(C)COc1ccc(c(c1)F)Br 34a_100000755031_100000210624 [1,1,0,0,0,0|1,1,0]=4 10443 B13R1.511 CC(C)COc1ccc(c(c1)F)Br 7a_100000755031_100000210760 [1,1,0,0,0,0|1,1,0]=4 10444 B13R1.511 CC(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000210624 [1,1,0,0,0,0|1,0,0]=3 10445 B13R1.511 CC(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000210760 [1,1,0,0,0,0|1,0,0]=3 10446 B13R1.511 CC(C)COc1ccc(c(c1)F)F 34a_100000181275_100000210624 [1,1,0,0,0,0|1,1,0]=4 10447 B13R1.511 CC(C)COc1ccc(c(c1)F)F 7a_100000181275_100000210760 [1,1,0,0,0,0|1,1,0]=4 10448 B13R1.511 CC(C)COc1ccc(c(c1)F)I 34a_100009990212_100000210624 [1,1,0,0,0,0|1,1,0]=4 10449 B13R1.511 CC(C)COc1ccc(c(c1)F)I 7a_100009990212_100000210760 [1,1,0,0,0,0|1,1,0]=4 10450 B13R1.511 CC(C)COc1ccc(c(c1)F)N 34a_100000759473_100000210624 [1,1,0,0,0,0|2,0,0]=4 10451 B13R1.511 CC(C)COc1ccc(c(c1)F)N 7a_100000759473_100000210760 [1,1,0,0,0,0|2,0,0]=4 10452 B13R1.511 CC(C)COc1ccc(c(c1)I)Br 34a_100012339312_100000210624 [1,1,0,0,0,0|1,1,0]=4 10453 B13R1.511 CC(C)COc1ccc(c(c1)I)Br 7a_100012339312_100000210760 [1,1,0,0,0,0|1,1,0]=4 10454 B13R1.511 CC(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000210624 [1,1,0,0,0,0|1,0,0]=3 10455 B13R1.511 CC(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000210760 [1,1,0,0,0,0|1,0,0]=3 10456 B13R1.511 CC(C)COc1ccc(c(c1)I)N 34a_100010084370_100000210624 [1,1,0,0,0,0|2,0,0]=4 10457 B13R1.511 CC(C)COc1ccc(c(c1)I)N 7a_100010084370_100000210760 [1,1,0,0,0,0|2,0,0]=4 10458 B13R1.511 CC(C)COc1ccc(c(c1)N)Br 34a_100011999798_100000210624 [1,1,0,0,0,0|1,1,0]=4 10459 B13R1.511 CC(C)COc1ccc(c(c1)N)Br 7a_100011999798_100000210760 [1,1,0,0,0,0|1,1,0]=4 10460 B13R1.511 CC(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000210624 [1,1,0,0,0,0|1,0,0]=3 10461 B13R1.511 CC(C)COc1ccc(c(c1)N)F 34a_100012017239_100000210624 [1,1,0,0,0,0|1,1,0]=4 10462 B13R1.511 CC(C)COc1ccc(c(c1)N)F 7a_100012017239_100000210760 [1,1,0,0,0,0|1,1,0]=4 10463 B13R1.511 CC(C)COc1ccc(c(c1)N)N 34a_100025771000_100000210624 [1,1,0,0,0,0|2,0,0]=4 10464 B13R1.511 CC(C)COc1cnc(c(c1)Br)Cl 34a_100012356455_100000210624 [1,1,0,0,0,0|2,0,0]=4 10465 B13R1.511 CC(C)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000210760 [1,1,0,0,0,0|2,0,0]=4 10466 B13R1.511 CC(C)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100000210624 [1,1,0,0,0,0|2,0,0]=4 10467 B13R1.511 CC(C)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210760 [1,1,0,0,0,0|2,0,0]=4 10468 B13R1.511 CC(C)COc1cnc(c(c1)F)Cl 34a_100000063512_100000210624 [1,1,0,0,0,0|2,0,0]=4 10469 B13R1.511 CC(C)COc1cnc(c(c1)F)Cl 7a_100000063512_100000210760 [1,1,0,0,0,0|2,0,0]=4 10470 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Cl 62a_100000210624_100012353702 [1,1,0,0,0,0|1,1,0]=4 10471 B13R1.511 CC(C)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210760 [1,1,0,0,0,0|1,1,0]=4 10472 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Cl 62a_100000210624_100011214914 [1,1,0,0,0,0|1,1,0]=4 10473 B13R1.511 CC(C)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210760 [1,1,0,0,0,0|1,1,0]=4 10474 B13R1.511 CC(C)CSc1ccc(c(c1)F)Cl 62a_100000210624_100011216805 [1,1,0,0,0,0|1,1,0]=4 10475 B13R1.511 CC(C)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000210760 [1,1,0,0,0,0|1,1,0]=4 10476 B13R1.511 CC(C)CSc1ccc(c(c1)N)Cl 62a_100000210624_200000761891 [1,1,0,0,0,0|1,1,0]=4 10477 B13R1.511 CC(C)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000210760 [1,1,0,0,0,0|1,1,0]=4 10478 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100000210624_100011356854 [1,1,0,0,0,0|1,1,0]=4 10479 B13R1.511 CC(C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000210760 [1,1,0,0,0,0|1,1,0]=4 10480 B13R1.511 CC(O)C=Cc1ccc(c(c1)Br)Cl 271570a_200011019289_100012353702 [1,1,0,0,0,0|1,0,1]=4 10481 B13R1.511 CC(O)C=Cc1ccc(c(c1)Cl)Cl 271570a_200011019289_100011214914 [1,1,0,0,0,0|1,0,1]=4 10482 B13R1.511 CC(O)C=Cc1ccc(c(c1)F)Cl 271570a_200011019289_100011216805 [1,1,0,0,0,0|1,0,1]=4 10483 B13R1.511 CC(O)C=Cc1ccc(c(c1)N)Cl 271570a_200011019289_200000761891 [1,1,0,0,0,0|1,0,1]=4 10484 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)Cl 271570a_200011019289_100011356854 [1,1,0,0,0,0|1,0,1]=4 10485 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100011218427 [1,1,0,0,0,0|1,1,0]=4 10486 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100011218427 [1,1,0,0,0,0|1,1,0]=4 10487 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100011218427 [1,1,0,0,0,0|1,1,0]=4 10488 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100011218427 [1,1,0,0,0,0|1,0,0]=3 10489 B13R1.511 CC(O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100011218427 [1,1,0,0,0,0|1,0,0]=3 10490 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100011218427 [1,1,0,0,0,0|1,1,0]=4 10491 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 34a_100000760356_100011218427 [1,1,0,0,0,0|1,1,0]=4 10492 B13R1.511 CC(O)CNc1ccc(c(c1)Br)F 7a_100000760356_100011218427 [1,1,0,0,0,0|1,1,0]=4 10493 B13R1.511 CC(O)CNc1ccc(c(c1)Br)I 34a_100000750458_100011218427 [1,1,0,0,0,0|1,1,0]=4 10494 B13R1.511 CC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011218427 [1,1,0,0,0,0|2,0,0]=4 10495 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100011218427 [1,1,0,0,0,0|1,1,0]=4 10496 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100011218427 [1,1,0,0,0,0|1,1,0]=4 10497 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100011218427 [1,1,0,0,0,0|1,1,0]=4 10498 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100011218427 [1,1,0,0,0,0|1,0,0]=3 10499 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011218427 [1,1,0,0,0,0|1,0,0]=3 10500 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100011218427 [1,1,0,0,0,0|1,1,0]=4 10501 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100011218427 [1,1,0,0,0,0|1,1,0]=4 10502 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100011218427 [1,1,0,0,0,0|1,1,0]=4 10503 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100011218427 [1,1,0,0,0,0|1,1,0]=4 10504 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011218427 [1,1,0,0,0,0|2,0,0]=4 10505 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100011218427 [1,1,0,0,0,0|1,1,0]=4 10506 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 34a_100000759894_100011218427 [1,1,0,0,0,0|1,1,0]=4 10507 B13R1.511 CC(O)CNc1ccc(c(c1)F)Br 7a_100000759894_100011218427 [1,1,0,0,0,0|1,1,0]=4 10508 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100011218427 [1,1,0,0,0,0|1,0,0]=3 10509 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100011218427 [1,1,0,0,0,0|1,0,0]=3 10510 B13R1.511 CC(O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100011218427 [1,1,0,0,0,0|1,0,0]=3 10511 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 2230a_100000210724_100011218427 [1,1,0,0,0,0|1,1,0]=4 10512 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 34a_100000210724_100011218427 [1,1,0,0,0,0|1,1,0]=4 10513 B13R1.511 CC(O)CNc1ccc(c(c1)F)F 7a_100000210724_100011218427 [1,1,0,0,0,0|1,1,0]=4 10514 B13R1.511 CC(O)CNc1ccc(c(c1)F)I 34a_100011356925_100011218427 [1,1,0,0,0,0|1,1,0]=4 10515 B13R1.511 CC(O)CNc1ccc(c(c1)F)I 7a_100011356925_100011218427 [1,1,0,0,0,0|1,1,0]=4 10516 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011218427 [1,1,0,0,0,0|2,0,0]=4 10517 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011218427 [1,1,0,0,0,0|2,0,0]=4 10518 B13R1.511 CC(O)CNc1ccc(c(c1)I)Br 34a_100000750459_100011218427 [1,1,0,0,0,0|1,1,0]=4 10519 B13R1.511 CC(O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100011218427 [1,1,0,0,0,0|1,0,0]=3 10520 B13R1.511 CC(O)CNc1ccc(c(c1)I)F 34a_114828291077_100011218427 [1,1,0,0,0,0|1,1,0]=4 10521 B13R1.511 CC(O)CNc1ccc(c(c1)I)F 7a_114828291077_100011218427 [1,1,0,0,0,0|1,1,0]=4 10522 B13R1.511 CC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011218427 [1,1,0,0,0,0|1,0,0]=3 10523 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011218427 [1,1,0,0,0,0|1,1,0]=4 10524 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011218427 [1,1,0,0,0,0|1,1,0]=4 10525 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [1,1,0,0,0,0|2,0,0]=4 10526 B13R1.511 CC(O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100011218427 [1,1,0,0,0,0|1,1,0]=4 10527 B13R1.511 CC(O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100011218427 [1,1,0,0,0,0|1,0,0]=3 10528 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011218427 [1,1,0,0,0,0|0,0,0]=2 10529 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011218427 [1,1,0,0,0,0|0,0,0]=2 10530 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100011218427 [1,1,0,0,0,0|0,1,0]=3 10531 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100011218427 [1,1,0,0,0,0|0,1,0]=3 10532 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100011218427 [1,1,0,0,0,0|0,1,0]=3 10533 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100011218427 [1,1,0,0,0,0|0,1,0]=3 10534 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 34a_100012001276_100011218427 [1,1,0,0,0,0|1,0,0]=3 10535 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 7a_100012001276_100011218427 [1,1,0,0,0,0|1,0,0]=3 10536 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011218427 [1,1,0,0,0,0|0,1,0]=3 10537 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011218427 [1,1,0,0,0,0|0,1,0]=3 10538 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218427 [1,1,0,0,0,0|0,0,0]=2 10539 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011218427 [1,1,0,0,0,0|0,0,0]=2 10540 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100011218427 [1,1,0,0,0,0|0,1,0]=3 10541 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100011218427 [1,1,0,0,0,0|0,1,0]=3 10542 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100011218427 [1,1,0,0,0,0|0,1,0]=3 10543 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100011218427 [1,1,0,0,0,0|0,1,0]=3 10544 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 34a_100011215599_100011218427 [1,1,0,0,0,0|1,0,0]=3 10545 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 7a_100011215599_100011218427 [1,1,0,0,0,0|1,0,0]=3 10546 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100011218427 [1,1,0,0,0,0|0,1,0]=3 10547 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100011218427 [1,1,0,0,0,0|0,1,0]=3 10548 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100011218427 [1,1,0,0,0,0|0,0,0]=2 10549 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100011218427 [1,1,0,0,0,0|0,0,0]=2 10550 B13R1.511 CC(O)COc1ccc(c(c1)F)F 34a_100000181275_100011218427 [1,1,0,0,0,0|0,1,0]=3 10551 B13R1.511 CC(O)COc1ccc(c(c1)F)F 7a_100000181275_100011218427 [1,1,0,0,0,0|0,1,0]=3 10552 B13R1.511 CC(O)COc1ccc(c(c1)F)I 34a_100009990212_100011218427 [1,1,0,0,0,0|0,1,0]=3 10553 B13R1.511 CC(O)COc1ccc(c(c1)F)I 7a_100009990212_100011218427 [1,1,0,0,0,0|0,1,0]=3 10554 B13R1.511 CC(O)COc1ccc(c(c1)F)N 34a_100000759473_100011218427 [1,1,0,0,0,0|1,0,0]=3 10555 B13R1.511 CC(O)COc1ccc(c(c1)F)N 7a_100000759473_100011218427 [1,1,0,0,0,0|1,0,0]=3 10556 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100011218427 [1,1,0,0,0,0|0,1,0]=3 10557 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100011218427 [1,1,0,0,0,0|0,1,0]=3 10558 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100011218427 [1,1,0,0,0,0|0,0,0]=2 10559 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100011218427 [1,1,0,0,0,0|0,0,0]=2 10560 B13R1.511 CC(O)COc1ccc(c(c1)I)N 34a_100010084370_100011218427 [1,1,0,0,0,0|1,0,0]=3 10561 B13R1.511 CC(O)COc1ccc(c(c1)I)N 7a_100010084370_100011218427 [1,1,0,0,0,0|1,0,0]=3 10562 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 34a_100011999798_100011218427 [1,1,0,0,0,0|0,1,0]=3 10563 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 7a_100011999798_100011218427 [1,1,0,0,0,0|0,1,0]=3 10564 B13R1.511 CC(O)COc1ccc(c(c1)N)Cl 34a_100011934297_100011218427 [1,1,0,0,0,0|0,0,0]=2 10565 B13R1.511 CC(O)COc1ccc(c(c1)N)F 34a_100012017239_100011218427 [1,1,0,0,0,0|0,1,0]=3 10566 B13R1.511 CC(O)COc1ccc(c(c1)N)F 7a_100012017239_100011218427 [1,1,0,0,0,0|0,1,0]=3 10567 B13R1.511 CC(O)COc1ccc(c(c1)N)N 34a_100025771000_100011218427 [1,1,0,0,0,0|1,0,0]=3 10568 B13R1.511 CC(O)COc1ccc(c(n1)F)Br 34a_100009879308_100011218427 [1,1,0,0,0,0|1,1,0]=4 10569 B13R1.511 CC(O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100011218427 [1,1,0,0,0,0|1,0,0]=3 10570 B13R1.511 CC(O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100011218427 [1,1,0,0,0,0|1,0,0]=3 10571 B13R1.511 CC(O)COc1cnc(c(c1)Br)F 34a_100009817267_100011218427 [1,1,0,0,0,0|1,1,0]=4 10572 B13R1.511 CC(O)COc1cnc(c(c1)Br)F 7a_100009817267_100011218427 [1,1,0,0,0,0|1,1,0]=4 10573 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100011218427 [1,1,0,0,0,0|1,1,0]=4 10574 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100011218427 [1,1,0,0,0,0|1,1,0]=4 10575 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100011218427 [1,1,0,0,0,0|1,0,0]=3 10576 B13R1.511 CC(O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100011218427 [1,1,0,0,0,0|1,0,0]=3 10577 B13R1.511 CC(O)COc1cnc(c(c1)Cl)F 34a_100000087088_100011218427 [1,1,0,0,0,0|1,1,0]=4 10578 B13R1.511 CC(O)COc1cnc(c(c1)Cl)F 7a_100000087088_100011218427 [1,1,0,0,0,0|1,1,0]=4 10579 B13R1.511 CC(O)COc1cnc(c(c1)F)Cl 34a_100000063512_100011218427 [1,1,0,0,0,0|1,0,0]=3 10580 B13R1.511 CC(O)COc1cnc(c(c1)F)Cl 7a_100000063512_100011218427 [1,1,0,0,0,0|1,0,0]=3 10581 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Br 62a_100011218427_100012356285 [1,1,0,0,0,0|0,2,0]=4 10582 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100011218427 [1,1,0,0,0,0|0,2,0]=4 10583 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Cl 62a_100011218427_100012353702 [1,1,0,0,0,0|0,1,0]=3 10584 B13R1.511 CC(O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100011218427 [1,1,0,0,0,0|0,1,0]=3 10585 B13R1.511 CC(O)CSc1ccc(c(c1)Br)F 62a_100011218427_100012047266 [1,1,0,0,0,0|0,2,0]=4 10586 B13R1.511 CC(O)CSc1ccc(c(c1)Br)F 62a_100012047266_100011218427 [1,1,0,0,0,0|0,2,0]=4 10587 B13R1.511 CC(O)CSc1ccc(c(c1)Br)N 62a_100000750455_100011218427 [1,1,0,0,0,0|1,1,0]=4 10588 B13R1.511 CC(O)CSc1ccc(c(c1)Br)N 62a_100011218427_100000750455 [1,1,0,0,0,0|1,1,0]=4 10589 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100011218427_100012361655 [1,1,0,0,0,0|1,1,0]=4 10590 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011218427 [1,1,0,0,0,0|1,1,0]=4 10591 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Br 62a_100011218427_100012047281 [1,1,0,0,0,0|0,2,0]=4 10592 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100011218427 [1,1,0,0,0,0|0,2,0]=4 10593 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011218427 [1,1,0,0,0,0|0,1,0]=3 10594 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011218427_100011214914 [1,1,0,0,0,0|0,1,0]=3 10595 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100011218427 [1,1,0,0,0,0|0,2,0]=4 10596 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)F 62a_100011218427_100011215976 [1,1,0,0,0,0|0,2,0]=4 10597 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100011218427 [1,1,0,0,0,0|1,1,0]=4 10598 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)N 62a_100011218427_100011218065 [1,1,0,0,0,0|1,1,0]=4 10599 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100011218427_100012360047 [1,1,0,0,0,0|1,1,0]=4 10600 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011218427 [1,1,0,0,0,0|1,1,0]=4 10601 B13R1.511 CC(O)CSc1ccc(c(c1)F)Br 62a_100000685389_100011218427 [1,1,0,0,0,0|0,2,0]=4 10602 B13R1.511 CC(O)CSc1ccc(c(c1)F)Br 62a_100011218427_100000685389 [1,1,0,0,0,0|0,2,0]=4 10603 B13R1.511 CC(O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100011218427 [1,1,0,0,0,0|0,1,0]=3 10604 B13R1.511 CC(O)CSc1ccc(c(c1)F)Cl 62a_100011218427_100011216805 [1,1,0,0,0,0|0,1,0]=3 10605 B13R1.511 CC(O)CSc1ccc(c(c1)F)F 62a_100000703953_100011218427 [1,1,0,0,0,0|0,2,0]=4 10606 B13R1.511 CC(O)CSc1ccc(c(c1)F)F 62a_100011218427_100000703953 [1,1,0,0,0,0|0,2,0]=4 10607 B13R1.511 CC(O)CSc1ccc(c(c1)F)N 62a_100011215594_100011218427 [1,1,0,0,0,0|1,1,0]=4 10608 B13R1.511 CC(O)CSc1ccc(c(c1)F)N 62a_100011218427_100011215594 [1,1,0,0,0,0|1,1,0]=4 10609 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011218427 [1,1,0,0,0,0|1,1,0]=4 10610 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100011218427_100000185481 [1,1,0,0,0,0|1,1,0]=4 10611 B13R1.511 CC(O)CSc1ccc(c(c1)N)Br 62a_100000750456_100011218427 [1,1,0,0,0,0|0,2,0]=4 10612 B13R1.511 CC(O)CSc1ccc(c(c1)N)Br 62a_100011218427_100000750456 [1,1,0,0,0,0|0,2,0]=4 10613 B13R1.511 CC(O)CSc1ccc(c(c1)N)Cl 62a_100011218427_200000761891 [1,1,0,0,0,0|0,1,0]=3 10614 B13R1.511 CC(O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100011218427 [1,1,0,0,0,0|0,1,0]=3 10615 B13R1.511 CC(O)CSc1ccc(c(c1)N)F 62a_100000740924_100011218427 [1,1,0,0,0,0|0,2,0]=4 10616 B13R1.511 CC(O)CSc1ccc(c(c1)N)F 62a_100011218427_100000740924 [1,1,0,0,0,0|0,2,0]=4 10617 B13R1.511 CC(O)CSc1ccc(c(c1)N)N 62a_100000741789_100011218427 [1,1,0,0,0,0|1,1,0]=4 10618 B13R1.511 CC(O)CSc1ccc(c(c1)N)N 62a_100011218427_100011534411 [1,1,0,0,0,0|1,1,0]=4 10619 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011218427 [1,1,0,0,0,0|1,1,0]=4 10620 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100011218427_100000752626 [1,1,0,0,0,0|1,1,0]=4 10621 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100011218427_100012356990 [1,1,0,0,0,0|0,2,0]=4 10622 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011218427 [1,1,0,0,0,0|0,2,0]=4 10623 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011218427_100011356854 [1,1,0,0,0,0|0,1,0]=3 10624 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011218427 [1,1,0,0,0,0|0,1,0]=3 10625 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011218427 [1,1,0,0,0,0|0,2,0]=4 10626 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100011218427_100000686035 [1,1,0,0,0,0|0,2,0]=4 10627 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100000739049_100011218427 [1,1,0,0,0,0|1,1,0]=4 10628 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100011218427_100000739049 [1,1,0,0,0,0|1,1,0]=4 10629 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [1,1,0,0,0,0|1,1,0]=4 10630 B13R1.511 CC(O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100011218427 [1,1,0,0,0,0|1,1,0]=4 10631 B13R1.511 CC(O)CSc1cnc(c(c1)Br)Cl 62a_100011218427_100010172733 [1,1,0,0,0,0|1,1,0]=4 10632 B13R1.511 CC(O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100011218427 [1,1,0,0,0,0|1,1,0]=4 10633 B13R1.511 CC(O)CSc1cnc(c(c1)N)Cl 62a_100011218427_100009828400 [1,1,0,0,0,0|1,1,0]=4 10634 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100009817552 [1,1,0,0,0,0|1,1,0]=4 10635 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100009817552 [1,1,0,0,0,0|1,1,0]=4 10636 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100009817552 [1,1,0,0,0,0|1,1,0]=4 10637 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100009817552 [1,1,0,0,0,0|1,0,0]=3 10638 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100009817552 [1,1,0,0,0,0|1,0,0]=3 10639 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100009817552 [1,1,0,0,0,0|1,1,0]=4 10640 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 34a_100000760356_100009817552 [1,1,0,0,0,0|1,1,0]=4 10641 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)F 7a_100000760356_100009817552 [1,1,0,0,0,0|1,1,0]=4 10642 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)I 34a_100000750458_100009817552 [1,1,0,0,0,0|1,1,0]=4 10643 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)O 34a_100011534360_100009817552 [1,1,0,0,0,0|2,0,0]=4 10644 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100009817552 [1,1,0,0,0,0|1,1,0]=4 10645 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100009817552 [1,1,0,0,0,0|1,1,0]=4 10646 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100009817552 [1,1,0,0,0,0|1,1,0]=4 10647 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100009817552 [1,1,0,0,0,0|1,0,0]=3 10648 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100009817552 [1,1,0,0,0,0|1,0,0]=3 10649 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100009817552 [1,1,0,0,0,0|1,1,0]=4 10650 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100009817552 [1,1,0,0,0,0|1,1,0]=4 10651 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100009817552 [1,1,0,0,0,0|1,1,0]=4 10652 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100009817552 [1,1,0,0,0,0|1,1,0]=4 10653 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009817552 [1,1,0,0,0,0|2,0,0]=4 10654 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100009817552 [1,1,0,0,0,0|1,1,0]=4 10655 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 34a_100000759894_100009817552 [1,1,0,0,0,0|1,1,0]=4 10656 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Br 7a_100000759894_100009817552 [1,1,0,0,0,0|1,1,0]=4 10657 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100009817552 [1,1,0,0,0,0|1,0,0]=3 10658 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100009817552 [1,1,0,0,0,0|1,0,0]=3 10659 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100009817552 [1,1,0,0,0,0|1,0,0]=3 10660 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 2230a_100000210724_100009817552 [1,1,0,0,0,0|1,1,0]=4 10661 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 34a_100000210724_100009817552 [1,1,0,0,0,0|1,1,0]=4 10662 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)F 7a_100000210724_100009817552 [1,1,0,0,0,0|1,1,0]=4 10663 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)I 34a_100011356925_100009817552 [1,1,0,0,0,0|1,1,0]=4 10664 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)I 7a_100011356925_100009817552 [1,1,0,0,0,0|1,1,0]=4 10665 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 34a_100011220035_100009817552 [1,1,0,0,0,0|2,0,0]=4 10666 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 7a_100011220035_100009817552 [1,1,0,0,0,0|2,0,0]=4 10667 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)Br 34a_100000750459_100009817552 [1,1,0,0,0,0|1,1,0]=4 10668 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100009817552 [1,1,0,0,0,0|1,0,0]=3 10669 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)F 34a_114828291077_100009817552 [1,1,0,0,0,0|1,1,0]=4 10670 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)I)F 7a_114828291077_100009817552 [1,1,0,0,0,0|1,1,0]=4 10671 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009817552 [1,1,0,0,0,0|1,0,0]=3 10672 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 34a_100012017398_100009817552 [1,1,0,0,0,0|1,1,0]=4 10673 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 7a_100012017398_100009817552 [1,1,0,0,0,0|1,1,0]=4 10674 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [1,1,0,0,0,0|2,0,0]=4 10675 B13R1.511 C[C@@H](O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100009817552 [1,1,0,0,0,0|1,1,0]=4 10676 B13R1.511 C[C@@H](O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100009817552 [1,1,0,0,0,0|1,0,0]=3 10677 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009817552 [1,1,0,0,0,0|0,0,0]=2 10678 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100009817552 [1,1,0,0,0,0|0,0,0]=2 10679 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 34a_100000693481_100009817552 [1,1,0,0,0,0|0,1,0]=3 10680 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 7a_100000693481_100009817552 [1,1,0,0,0,0|0,1,0]=3 10681 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 34a_100000701344_100009817552 [1,1,0,0,0,0|0,1,0]=3 10682 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 7a_100000701344_100009817552 [1,1,0,0,0,0|0,1,0]=3 10683 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 34a_100012001276_100009817552 [1,1,0,0,0,0|1,0,0]=3 10684 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 7a_100012001276_100009817552 [1,1,0,0,0,0|1,0,0]=3 10685 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009817552 [1,1,0,0,0,0|0,1,0]=3 10686 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100009817552 [1,1,0,0,0,0|0,1,0]=3 10687 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009817552 [1,1,0,0,0,0|0,0,0]=2 10688 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100009817552 [1,1,0,0,0,0|0,0,0]=2 10689 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 34a_100000211030_100009817552 [1,1,0,0,0,0|0,1,0]=3 10690 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 7a_100000211030_100009817552 [1,1,0,0,0,0|0,1,0]=3 10691 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 34a_100000047559_100009817552 [1,1,0,0,0,0|0,1,0]=3 10692 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 7a_100000047559_100009817552 [1,1,0,0,0,0|0,1,0]=3 10693 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 34a_100011215599_100009817552 [1,1,0,0,0,0|1,0,0]=3 10694 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 7a_100011215599_100009817552 [1,1,0,0,0,0|1,0,0]=3 10695 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 34a_100000755031_100009817552 [1,1,0,0,0,0|0,1,0]=3 10696 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 7a_100000755031_100009817552 [1,1,0,0,0,0|0,1,0]=3 10697 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 34a_100000691581_100009817552 [1,1,0,0,0,0|0,0,0]=2 10698 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 7a_100000691581_100009817552 [1,1,0,0,0,0|0,0,0]=2 10699 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 34a_100000181275_100009817552 [1,1,0,0,0,0|0,1,0]=3 10700 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 7a_100000181275_100009817552 [1,1,0,0,0,0|0,1,0]=3 10701 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 34a_100009990212_100009817552 [1,1,0,0,0,0|0,1,0]=3 10702 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 7a_100009990212_100009817552 [1,1,0,0,0,0|0,1,0]=3 10703 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 34a_100000759473_100009817552 [1,1,0,0,0,0|1,0,0]=3 10704 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 7a_100000759473_100009817552 [1,1,0,0,0,0|1,0,0]=3 10705 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 34a_100012339312_100009817552 [1,1,0,0,0,0|0,1,0]=3 10706 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 7a_100012339312_100009817552 [1,1,0,0,0,0|0,1,0]=3 10707 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 34a_100000049588_100009817552 [1,1,0,0,0,0|0,0,0]=2 10708 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 7a_100000049588_100009817552 [1,1,0,0,0,0|0,0,0]=2 10709 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 34a_100010084370_100009817552 [1,1,0,0,0,0|1,0,0]=3 10710 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 7a_100010084370_100009817552 [1,1,0,0,0,0|1,0,0]=3 10711 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 34a_100011999798_100009817552 [1,1,0,0,0,0|0,1,0]=3 10712 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 7a_100011999798_100009817552 [1,1,0,0,0,0|0,1,0]=3 10713 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Cl 34a_100011934297_100009817552 [1,1,0,0,0,0|0,0,0]=2 10714 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 34a_100012017239_100009817552 [1,1,0,0,0,0|0,1,0]=3 10715 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 7a_100012017239_100009817552 [1,1,0,0,0,0|0,1,0]=3 10716 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)N 34a_100025771000_100009817552 [1,1,0,0,0,0|1,0,0]=3 10717 B13R1.511 C[C@@H](O)COc1ccc(c(n1)F)Br 34a_100009879308_100009817552 [1,1,0,0,0,0|1,1,0]=4 10718 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100009817552 [1,1,0,0,0,0|1,0,0]=3 10719 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100009817552 [1,1,0,0,0,0|1,0,0]=3 10720 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)F 34a_100009817267_100009817552 [1,1,0,0,0,0|1,1,0]=4 10721 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Br)F 7a_100009817267_100009817552 [1,1,0,0,0,0|1,1,0]=4 10722 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100009817552 [1,1,0,0,0,0|1,1,0]=4 10723 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100009817552 [1,1,0,0,0,0|1,1,0]=4 10724 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100009817552 [1,1,0,0,0,0|1,0,0]=3 10725 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100009817552 [1,1,0,0,0,0|1,0,0]=3 10726 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)F 34a_100000087088_100009817552 [1,1,0,0,0,0|1,1,0]=4 10727 B13R1.511 C[C@@H](O)COc1cnc(c(c1)Cl)F 7a_100000087088_100009817552 [1,1,0,0,0,0|1,1,0]=4 10728 B13R1.511 C[C@@H](O)COc1cnc(c(c1)F)Cl 34a_100000063512_100009817552 [1,1,0,0,0,0|1,0,0]=3 10729 B13R1.511 C[C@@H](O)COc1cnc(c(c1)F)Cl 7a_100000063512_100009817552 [1,1,0,0,0,0|1,0,0]=3 10730 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Br 62a_100009817552_100012356285 [1,1,0,0,0,0|0,2,0]=4 10731 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100009817552 [1,1,0,0,0,0|0,2,0]=4 10732 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Cl 62a_100009817552_100012353702 [1,1,0,0,0,0|0,1,0]=3 10733 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100009817552 [1,1,0,0,0,0|0,1,0]=3 10734 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)F 62a_100009817552_100012047266 [1,1,0,0,0,0|0,2,0]=4 10735 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)F 62a_100012047266_100009817552 [1,1,0,0,0,0|0,2,0]=4 10736 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)N 62a_100000750455_100009817552 [1,1,0,0,0,0|1,1,0]=4 10737 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)N 62a_100009817552_100000750455 [1,1,0,0,0,0|1,1,0]=4 10738 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100009817552_100012361655 [1,1,0,0,0,0|1,1,0]=4 10739 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100012361655_100009817552 [1,1,0,0,0,0|1,1,0]=4 10740 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Br 62a_100009817552_100012047281 [1,1,0,0,0,0|0,2,0]=4 10741 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100009817552 [1,1,0,0,0,0|0,2,0]=4 10742 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100009817552_100011214914 [1,1,0,0,0,0|0,1,0]=3 10743 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100009817552 [1,1,0,0,0,0|0,1,0]=3 10744 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)F 62a_100009817552_100011215976 [1,1,0,0,0,0|0,2,0]=4 10745 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100009817552 [1,1,0,0,0,0|0,2,0]=4 10746 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)N 62a_100009817552_100011218065 [1,1,0,0,0,0|1,1,0]=4 10747 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100009817552 [1,1,0,0,0,0|1,1,0]=4 10748 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100009817552_100012360047 [1,1,0,0,0,0|1,1,0]=4 10749 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100009817552 [1,1,0,0,0,0|1,1,0]=4 10750 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Br 62a_100000685389_100009817552 [1,1,0,0,0,0|0,2,0]=4 10751 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Br 62a_100009817552_100000685389 [1,1,0,0,0,0|0,2,0]=4 10752 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Cl 62a_100009817552_100011216805 [1,1,0,0,0,0|0,1,0]=3 10753 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100009817552 [1,1,0,0,0,0|0,1,0]=3 10754 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)F 62a_100000703953_100009817552 [1,1,0,0,0,0|0,2,0]=4 10755 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)F 62a_100009817552_100000703953 [1,1,0,0,0,0|0,2,0]=4 10756 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)N 62a_100009817552_100011215594 [1,1,0,0,0,0|1,1,0]=4 10757 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)N 62a_100011215594_100009817552 [1,1,0,0,0,0|1,1,0]=4 10758 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100000185481_100009817552 [1,1,0,0,0,0|1,1,0]=4 10759 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100009817552_100000185481 [1,1,0,0,0,0|1,1,0]=4 10760 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Br 62a_100000750456_100009817552 [1,1,0,0,0,0|0,2,0]=4 10761 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Br 62a_100009817552_100000750456 [1,1,0,0,0,0|0,2,0]=4 10762 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Cl 62a_100009817552_200000761891 [1,1,0,0,0,0|0,1,0]=3 10763 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100009817552 [1,1,0,0,0,0|0,1,0]=3 10764 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)F 62a_100000740924_100009817552 [1,1,0,0,0,0|0,2,0]=4 10765 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)F 62a_100009817552_100000740924 [1,1,0,0,0,0|0,2,0]=4 10766 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)N 62a_100000741789_100009817552 [1,1,0,0,0,0|1,1,0]=4 10767 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)N 62a_100009817552_100011534411 [1,1,0,0,0,0|1,1,0]=4 10768 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100000752626_100009817552 [1,1,0,0,0,0|1,1,0]=4 10769 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100009817552_100000752626 [1,1,0,0,0,0|1,1,0]=4 10770 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100009817552_100012356990 [1,1,0,0,0,0|0,2,0]=4 10771 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100012356990_100009817552 [1,1,0,0,0,0|0,2,0]=4 10772 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100009817552_100011356854 [1,1,0,0,0,0|0,1,0]=3 10773 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100009817552 [1,1,0,0,0,0|0,1,0]=3 10774 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100000686035_100009817552 [1,1,0,0,0,0|0,2,0]=4 10775 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100009817552_100000686035 [1,1,0,0,0,0|0,2,0]=4 10776 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100000739049_100009817552 [1,1,0,0,0,0|1,1,0]=4 10777 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100009817552_100000739049 [1,1,0,0,0,0|1,1,0]=4 10778 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [1,1,0,0,0,0|1,1,0]=4 10779 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)Cl 62a_100009817552_100010172733 [1,1,0,0,0,0|1,1,0]=4 10780 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100009817552 [1,1,0,0,0,0|1,1,0]=4 10781 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)Cl 62a_100009817552_100009828400 [1,1,0,0,0,0|1,1,0]=4 10782 B13R1.511 C[C@@H](O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100009817552 [1,1,0,0,0,0|1,1,0]=4 10783 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 2230a_100000210723_100011218427 [1,1,0,0,0,0|1,1,0]=4 10784 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 34a_100000210723_100011218427 [1,1,0,0,0,0|1,1,0]=4 10785 B13R1.511 Cc1cc(ccc1Br)NCC(C)O 7a_100000210723_100011218427 [1,1,0,0,0,0|1,1,0]=4 10786 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 2230a_100000210723_100009817552 [1,1,0,0,0,0|1,1,0]=4 10787 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 34a_100000210723_100009817552 [1,1,0,0,0,0|1,1,0]=4 10788 B13R1.511 Cc1cc(ccc1Br)NC[C@@H](C)O 7a_100000210723_100009817552 [1,1,0,0,0,0|1,1,0]=4 10789 B13R1.511 Cc1cc(ccc1Br)OCC(C)C 34a_100000690111_100000210624 [1,1,0,0,0,0|1,1,0]=4 10790 B13R1.511 Cc1cc(ccc1Br)OCC(C)C 7a_100000690111_100000210760 [1,1,0,0,0,0|1,1,0]=4 10791 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 34a_100000690111_100011218427 [1,1,0,0,0,0|0,1,0]=3 10792 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 7a_100000690111_100011218427 [1,1,0,0,0,0|0,1,0]=3 10793 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 34a_100000690111_100009817552 [1,1,0,0,0,0|0,1,0]=3 10794 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 7a_100000690111_100009817552 [1,1,0,0,0,0|0,1,0]=3 10795 B13R1.511 Cc1cc(ccc1Br)SCC(C)O 62a_100009813585_100011218427 [1,1,0,0,0,0|0,2,0]=4 10796 B13R1.511 Cc1cc(ccc1Br)SCC(C)O 62a_100011218427_100009813585 [1,1,0,0,0,0|0,2,0]=4 10797 B13R1.511 Cc1cc(ccc1Br)SC[C@@H](C)O 62a_100009813585_100009817552 [1,1,0,0,0,0|0,2,0]=4 10798 B13R1.511 Cc1cc(ccc1Br)SC[C@@H](C)O 62a_100009817552_100009813585 [1,1,0,0,0,0|0,2,0]=4 10799 B13R1.511 Cc1cc(ccc1Cl)C=CC(C)O 271570a_200011019289_100000049509 [1,1,0,0,0,0|1,0,1]=4 10800 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 2230a_100000187808_100000210760 [1,1,0,0,0,0|2,0,0]=4 10801 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 34a_100000187808_100000210624 [1,1,0,0,0,0|2,0,0]=4 10802 B13R1.511 Cc1cc(ccc1Cl)NCC(C)C 7a_100000187808_100000210760 [1,1,0,0,0,0|2,0,0]=4 10803 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 2230a_100000187808_100011218427 [1,1,0,0,0,0|1,0,0]=3 10804 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 34a_100000187808_100011218427 [1,1,0,0,0,0|1,0,0]=3 10805 B13R1.511 Cc1cc(ccc1Cl)NCC(C)O 7a_100000187808_100011218427 [1,1,0,0,0,0|1,0,0]=3 10806 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 2230a_100000187808_100009817552 [1,1,0,0,0,0|1,0,0]=3 10807 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 34a_100000187808_100009817552 [1,1,0,0,0,0|1,0,0]=3 10808 B13R1.511 Cc1cc(ccc1Cl)NC[C@@H](C)O 7a_100000187808_100009817552 [1,1,0,0,0,0|1,0,0]=3 10809 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[13CH3] 1458a_100000182483_200025704644 [1,1,0,0,0,0|0,0,2]=4 10810 B13R1.511 Cc1cc(ccc1Cl)OCC(C)C 34a_100000211092_100000210624 [1,1,0,0,0,0|1,0,0]=3 10811 B13R1.511 Cc1cc(ccc1Cl)OCC(C)C 7a_100000211092_100000210760 [1,1,0,0,0,0|1,0,0]=3 10812 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 34a_100000211092_100011218427 [1,1,0,0,0,0|0,0,0]=2 10813 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 7a_100000211092_100011218427 [1,1,0,0,0,0|0,0,0]=2 10814 B13R1.511 Cc1cc(ccc1Cl)OCC(F)F 34a_100000211092_100011934356 [1,1,0,0,0,0|2,0,0]=4 10815 B13R1.511 Cc1cc(ccc1Cl)OCC(F)F 7a_100000211092_100011934356 [1,1,0,0,0,0|2,0,0]=4 10816 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 34a_100000211092_100009817552 [1,1,0,0,0,0|0,0,0]=2 10817 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 7a_100000211092_100009817552 [1,1,0,0,0,0|0,0,0]=2 10818 B13R1.511 Cc1cc(ccc1Cl)SCC(C)C 62a_100000049509_100000210760 [1,1,0,0,0,0|1,1,0]=4 10819 B13R1.511 Cc1cc(ccc1Cl)SCC(C)C 62a_100000210624_100000049509 [1,1,0,0,0,0|1,1,0]=4 10820 B13R1.511 Cc1cc(ccc1Cl)SCC(C)O 62a_100000049509_100011218427 [1,1,0,0,0,0|0,1,0]=3 10821 B13R1.511 Cc1cc(ccc1Cl)SCC(C)O 62a_100011218427_100000049509 [1,1,0,0,0,0|0,1,0]=3 10822 B13R1.511 Cc1cc(ccc1Cl)SC[C@@H](C)O 62a_100000049509_100009817552 [1,1,0,0,0,0|0,1,0]=3 10823 B13R1.511 Cc1cc(ccc1Cl)SC[C@@H](C)O 62a_100009817552_100000049509 [1,1,0,0,0,0|0,1,0]=3 10824 B13R1.511 Cc1cc(ccc1F)NCC(C)O 2230a_100000750164_100011218427 [1,1,0,0,0,0|1,1,0]=4 10825 B13R1.511 Cc1cc(ccc1F)NCC(C)O 34a_100000750164_100011218427 [1,1,0,0,0,0|1,1,0]=4 10826 B13R1.511 Cc1cc(ccc1F)NCC(C)O 7a_100000750164_100011218427 [1,1,0,0,0,0|1,1,0]=4 10827 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 2230a_100000750164_100009817552 [1,1,0,0,0,0|1,1,0]=4 10828 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 34a_100000750164_100009817552 [1,1,0,0,0,0|1,1,0]=4 10829 B13R1.511 Cc1cc(ccc1F)NC[C@@H](C)O 7a_100000750164_100009817552 [1,1,0,0,0,0|1,1,0]=4 10830 B13R1.511 Cc1cc(ccc1F)OCC(C)C 34a_100000751312_100000210624 [1,1,0,0,0,0|1,1,0]=4 10831 B13R1.511 Cc1cc(ccc1F)OCC(C)C 7a_100000751312_100000210760 [1,1,0,0,0,0|1,1,0]=4 10832 B13R1.511 Cc1cc(ccc1F)OCC(C)O 34a_100000751312_100011218427 [1,1,0,0,0,0|0,1,0]=3 10833 B13R1.511 Cc1cc(ccc1F)OCC(C)O 7a_100000751312_100011218427 [1,1,0,0,0,0|0,1,0]=3 10834 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 34a_100000751312_100009817552 [1,1,0,0,0,0|0,1,0]=3 10835 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 7a_100000751312_100009817552 [1,1,0,0,0,0|0,1,0]=3 10836 B13R1.511 Cc1cc(ccc1F)SCC(C)O 62a_100011218330_100011218427 [1,1,0,0,0,0|0,2,0]=4 10837 B13R1.511 Cc1cc(ccc1F)SCC(C)O 62a_100011218427_100011218330 [1,1,0,0,0,0|0,2,0]=4 10838 B13R1.511 Cc1cc(ccc1F)SC[C@@H](C)O 62a_100009817552_100011218330 [1,1,0,0,0,0|0,2,0]=4 10839 B13R1.511 Cc1cc(ccc1F)SC[C@@H](C)O 62a_100011218330_100009817552 [1,1,0,0,0,0|0,2,0]=4 10840 B13R1.511 Cc1cc(ccc1I)NCC(C)O 34a_100000198070_100011218427 [1,1,0,0,0,0|1,1,0]=4 10841 B13R1.511 Cc1cc(ccc1I)NCC(C)O 7a_100000198070_100011218427 [1,1,0,0,0,0|1,1,0]=4 10842 B13R1.511 Cc1cc(ccc1I)NC[C@@H](C)O 34a_100000198070_100009817552 [1,1,0,0,0,0|1,1,0]=4 10843 B13R1.511 Cc1cc(ccc1I)NC[C@@H](C)O 7a_100000198070_100009817552 [1,1,0,0,0,0|1,1,0]=4 10844 B13R1.511 Cc1cc(ccc1I)OCC(C)C 34a_100000729255_100000210624 [1,1,0,0,0,0|1,1,0]=4 10845 B13R1.511 Cc1cc(ccc1I)OCC(C)C 7a_100000729255_100000210760 [1,1,0,0,0,0|1,1,0]=4 10846 B13R1.511 Cc1cc(ccc1I)OCC(C)O 34a_100000729255_100011218427 [1,1,0,0,0,0|0,1,0]=3 10847 B13R1.511 Cc1cc(ccc1I)OCC(C)O 7a_100000729255_100011218427 [1,1,0,0,0,0|0,1,0]=3 10848 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 34a_100000729255_100009817552 [1,1,0,0,0,0|0,1,0]=3 10849 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 7a_100000729255_100009817552 [1,1,0,0,0,0|0,1,0]=3 10850 B13R1.511 Cc1cc(ccc1N)OCC(C)C 34a_100000756630_100000210624 [1,1,0,0,0,0|2,0,0]=4 10851 B13R1.511 Cc1cc(ccc1N)OCC(C)C 7a_100000756630_100000210760 [1,1,0,0,0,0|2,0,0]=4 10852 B13R1.511 Cc1cc(ccc1N)OCC(C)O 34a_100000756630_100011218427 [1,1,0,0,0,0|1,0,0]=3 10853 B13R1.511 Cc1cc(ccc1N)OCC(C)O 7a_100000756630_100011218427 [1,1,0,0,0,0|1,0,0]=3 10854 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 34a_100000756630_100009817552 [1,1,0,0,0,0|1,0,0]=3 10855 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 7a_100000756630_100009817552 [1,1,0,0,0,0|1,0,0]=3 10856 B13R1.511 Cc1cc(ccc1N)SCC(C)O 62a_100000211769_100011218427 [1,1,0,0,0,0|1,1,0]=4 10857 B13R1.511 Cc1cc(ccc1N)SCC(C)O 62a_100011218427_100000211769 [1,1,0,0,0,0|1,1,0]=4 10858 B13R1.511 Cc1cc(ccc1N)SC[C@@H](C)O 62a_100000211769_100009817552 [1,1,0,0,0,0|1,1,0]=4 10859 B13R1.511 Cc1cc(ccc1N)SC[C@@H](C)O 62a_100009817552_100000211769 [1,1,0,0,0,0|1,1,0]=4 10860 B13R1.511 Cc1cc(ccc1O)NCC(C)O 34a_100011218179_100011218427 [1,1,0,0,0,0|2,0,0]=4 10861 B13R1.511 Cc1cc(ccc1O)NCC(C)O 7a_100011218179_100011218427 [1,1,0,0,0,0|2,0,0]=4 10862 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 34a_100011218179_100009817552 [1,1,0,0,0,0|2,0,0]=4 10863 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 7a_100011218179_100009817552 [1,1,0,0,0,0|2,0,0]=4 10864 B13R1.511 Cc1cc(ccc1O)SCC(C)O 62a_100011218427_100000186361 [1,1,0,0,0,0|1,1,0]=4 10865 B13R1.511 Cc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000186361 [1,1,0,0,0,0|1,1,0]=4 10866 B13R1.511 Cc1cc(cnc1Br)OCC(C)O 34a_100012000486_100011218427 [1,1,0,0,0,0|1,1,0]=4 10867 B13R1.511 Cc1cc(cnc1Br)OCC(C)O 7a_100012000486_100011218427 [1,1,0,0,0,0|1,1,0]=4 10868 B13R1.511 Cc1cc(cnc1Br)OC[C@@H](C)O 34a_100012000486_100009817552 [1,1,0,0,0,0|1,1,0]=4 10869 B13R1.511 Cc1cc(cnc1Br)OC[C@@H](C)O 7a_100012000486_100009817552 [1,1,0,0,0,0|1,1,0]=4 10870 B13R1.511 Cc1cc(cnc1C)OCC(C)O 34a_100009854398_100011218427 [1,1,0,0,0,0|2,0,0]=4 10871 B13R1.511 Cc1cc(cnc1C)OCC(C)O 7a_100009854398_100011218427 [1,1,0,0,0,0|2,0,0]=4 10872 B13R1.511 Cc1cc(cnc1C)OC[C@@H](C)O 34a_100009854398_100009817552 [1,1,0,0,0,0|2,0,0]=4 10873 B13R1.511 Cc1cc(cnc1C)OC[C@@H](C)O 7a_100009854398_100009817552 [1,1,0,0,0,0|2,0,0]=4 10874 B13R1.511 Cc1cc(cnc1Cl)OCC(C)C 34a_100012002680_100000210624 [1,1,0,0,0,0|2,0,0]=4 10875 B13R1.511 Cc1cc(cnc1Cl)OCC(C)C 7a_100012002680_100000210760 [1,1,0,0,0,0|2,0,0]=4 10876 B13R1.511 Cc1cc(cnc1Cl)OCC(C)O 34a_100012002680_100011218427 [1,1,0,0,0,0|1,0,0]=3 10877 B13R1.511 Cc1cc(cnc1Cl)OCC(C)O 7a_100012002680_100011218427 [1,1,0,0,0,0|1,0,0]=3 10878 B13R1.511 Cc1cc(cnc1Cl)OC[C@@H](C)O 34a_100012002680_100009817552 [1,1,0,0,0,0|1,0,0]=3 10879 B13R1.511 Cc1cc(cnc1Cl)OC[C@@H](C)O 7a_100012002680_100009817552 [1,1,0,0,0,0|1,0,0]=3 10880 B13R1.511 Cc1cc(cnc1Cl)SCC(C)O 62a_100009922867_100011218427 [1,1,0,0,0,0|1,1,0]=4 10881 B13R1.511 Cc1cc(cnc1Cl)SCC(C)O 62a_100011218427_100009922867 [1,1,0,0,0,0|1,1,0]=4 10882 B13R1.511 Cc1cc(cnc1Cl)SC[C@@H](C)O 62a_100009817552_100009922867 [1,1,0,0,0,0|1,1,0]=4 10883 B13R1.511 Cc1cc(cnc1Cl)SC[C@@H](C)O 62a_100009922867_100009817552 [1,1,0,0,0,0|1,1,0]=4 10884 B13R1.511 Cc1cc(cnc1F)OCC(C)O 34a_100000094615_100011218427 [1,1,0,0,0,0|1,1,0]=4 10885 B13R1.511 Cc1cc(cnc1F)OCC(C)O 7a_100000094615_100011218427 [1,1,0,0,0,0|1,1,0]=4 10886 B13R1.511 Cc1cc(cnc1F)OC[C@@H](C)O 34a_100000094615_100009817552 [1,1,0,0,0,0|1,1,0]=4 10887 B13R1.511 Cc1cc(cnc1F)OC[C@@H](C)O 7a_100000094615_100009817552 [1,1,0,0,0,0|1,1,0]=4 10888 B13R1.511 Cc1cc(ncc1Br)OCC(C)O 34a_100000766222_100011218427 [1,1,0,0,0,0|1,1,0]=4 10889 B13R1.511 Cc1cc(ncc1Br)OC[C@@H](C)O 34a_100000766222_100009817552 [1,1,0,0,0,0|1,1,0]=4 10890 B13R1.511 Cc1cc(ncc1Cl)OCC(C)C 34a_200000085746_100000210624 [1,1,0,0,0,0|2,0,0]=4 10891 B13R1.511 Cc1cc(ncc1Cl)OCC(C)O 34a_200000085746_100011218427 [1,1,0,0,0,0|1,0,0]=3 10892 B13R1.511 Cc1cc(ncc1Cl)OC[C@@H](C)O 34a_200000085746_100009817552 [1,1,0,0,0,0|1,0,0]=3 10893 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 2230a_100000736455_100011218427 [1,1,0,0,0,0|2,0,0]=4 10894 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 34a_100000736455_100011218427 [1,1,0,0,0,0|2,0,0]=4 10895 B13R1.511 Cc1ccc(cc1Br)NCC(C)O 7a_100000736455_100011218427 [1,1,0,0,0,0|2,0,0]=4 10896 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 2230a_100000736455_100009817552 [1,1,0,0,0,0|2,0,0]=4 10897 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 34a_100000736455_100009817552 [1,1,0,0,0,0|2,0,0]=4 10898 B13R1.511 Cc1ccc(cc1Br)NC[C@@H](C)O 7a_100000736455_100009817552 [1,1,0,0,0,0|2,0,0]=4 10899 B13R1.511 Cc1ccc(cc1Br)OCC(C)C 34a_100011380479_100000210624 [1,1,0,0,0,0|2,0,0]=4 10900 B13R1.511 Cc1ccc(cc1Br)OCC(C)C 7a_100011380479_100000210760 [1,1,0,0,0,0|2,0,0]=4 10901 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 34a_100011380479_100011218427 [1,1,0,0,0,0|1,0,0]=3 10902 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 7a_100011380479_100011218427 [1,1,0,0,0,0|1,0,0]=3 10903 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 34a_100011380479_100009817552 [1,1,0,0,0,0|1,0,0]=3 10904 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 7a_100011380479_100009817552 [1,1,0,0,0,0|1,0,0]=3 10905 B13R1.511 Cc1ccc(cc1Br)SCC(C)O 62a_100011218427_100011847877 [1,1,0,0,0,0|1,1,0]=4 10906 B13R1.511 Cc1ccc(cc1Br)SCC(C)O 62a_100011847877_100011218427 [1,1,0,0,0,0|1,1,0]=4 10907 B13R1.511 Cc1ccc(cc1Br)SC[C@@H](C)O 62a_100009817552_100011847877 [1,1,0,0,0,0|1,1,0]=4 10908 B13R1.511 Cc1ccc(cc1Br)SC[C@@H](C)O 62a_100011847877_100009817552 [1,1,0,0,0,0|1,1,0]=4 10909 B13R1.511 Cc1ccc(cc1C)NCC(C)O 2230a_100000724040_100011218427 [1,1,0,0,0,0|2,0,0]=4 10910 B13R1.511 Cc1ccc(cc1C)NCC(C)O 34a_100000724040_100011218427 [1,1,0,0,0,0|2,0,0]=4 10911 B13R1.511 Cc1ccc(cc1C)NCC(C)O 7a_100000724040_100011218427 [1,1,0,0,0,0|2,0,0]=4 10912 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 2230a_100000724040_100009817552 [1,1,0,0,0,0|2,0,0]=4 10913 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 34a_100000724040_100009817552 [1,1,0,0,0,0|2,0,0]=4 10914 B13R1.511 Cc1ccc(cc1C)NC[C@@H](C)O 7a_100000724040_100009817552 [1,1,0,0,0,0|2,0,0]=4 10915 B13R1.511 Cc1ccc(cc1C)OCC(C)C 34a_100000210932_100000210624 [1,1,0,0,0,0|2,0,0]=4 10916 B13R1.511 Cc1ccc(cc1C)OCC(C)C 7a_100000210932_100000210760 [1,1,0,0,0,0|2,0,0]=4 10917 B13R1.511 Cc1ccc(cc1C)OCC(C)O 34a_100000210932_100011218427 [1,1,0,0,0,0|1,0,0]=3 10918 B13R1.511 Cc1ccc(cc1C)OCC(C)O 7a_100000210932_100011218427 [1,1,0,0,0,0|1,0,0]=3 10919 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 34a_100000210932_100009817552 [1,1,0,0,0,0|1,0,0]=3 10920 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 7a_100000210932_100009817552 [1,1,0,0,0,0|1,0,0]=3 10921 B13R1.511 Cc1ccc(cc1C)SCC(C)O 62a_100011215607_100011218427 [1,1,0,0,0,0|1,1,0]=4 10922 B13R1.511 Cc1ccc(cc1C)SCC(C)O 62a_100011218427_100011215607 [1,1,0,0,0,0|1,1,0]=4 10923 B13R1.511 Cc1ccc(cc1C)SC[C@@H](C)O 62a_100009817552_100011215607 [1,1,0,0,0,0|1,1,0]=4 10924 B13R1.511 Cc1ccc(cc1C)SC[C@@H](C)O 62a_100011215607_100009817552 [1,1,0,0,0,0|1,1,0]=4 10925 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 2230a_100000188892_100011218427 [1,1,0,0,0,0|2,0,0]=4 10926 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 34a_100000188892_100011218427 [1,1,0,0,0,0|2,0,0]=4 10927 B13R1.511 Cc1ccc(cc1Cl)NCC(C)O 7a_100000188892_100011218427 [1,1,0,0,0,0|2,0,0]=4 10928 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 2230a_100000188892_100009817552 [1,1,0,0,0,0|2,0,0]=4 10929 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 34a_100000188892_100009817552 [1,1,0,0,0,0|2,0,0]=4 10930 B13R1.511 Cc1ccc(cc1Cl)NC[C@@H](C)O 7a_100000188892_100009817552 [1,1,0,0,0,0|2,0,0]=4 10931 B13R1.511 Cc1ccc(cc1Cl)OCC(C)C 34a_100011265682_100000210624 [1,1,0,0,0,0|2,0,0]=4 10932 B13R1.511 Cc1ccc(cc1Cl)OCC(C)C 7a_100011265682_100000210760 [1,1,0,0,0,0|2,0,0]=4 10933 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 34a_100011265682_100011218427 [1,1,0,0,0,0|1,0,0]=3 10934 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 7a_100011265682_100011218427 [1,1,0,0,0,0|1,0,0]=3 10935 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 34a_100011265682_100009817552 [1,1,0,0,0,0|1,0,0]=3 10936 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 7a_100011265682_100009817552 [1,1,0,0,0,0|1,0,0]=3 10937 B13R1.511 Cc1ccc(cc1Cl)SCC(C)O 62a_100011216363_100011218427 [1,1,0,0,0,0|1,1,0]=4 10938 B13R1.511 Cc1ccc(cc1Cl)SCC(C)O 62a_100011218427_100011216363 [1,1,0,0,0,0|1,1,0]=4 10939 B13R1.511 Cc1ccc(cc1Cl)SC[C@@H](C)O 62a_100009817552_100011216363 [1,1,0,0,0,0|1,1,0]=4 10940 B13R1.511 Cc1ccc(cc1Cl)SC[C@@H](C)O 62a_100011216363_100009817552 [1,1,0,0,0,0|1,1,0]=4 10941 B13R1.511 Cc1ccc(cc1F)NCC(C)O 2230a_100000210958_100011218427 [1,1,0,0,0,0|2,0,0]=4 10942 B13R1.511 Cc1ccc(cc1F)NCC(C)O 34a_100000210958_100011218427 [1,1,0,0,0,0|2,0,0]=4 10943 B13R1.511 Cc1ccc(cc1F)NCC(C)O 7a_100000210958_100011218427 [1,1,0,0,0,0|2,0,0]=4 10944 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 2230a_100000210958_100009817552 [1,1,0,0,0,0|2,0,0]=4 10945 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 34a_100000210958_100009817552 [1,1,0,0,0,0|2,0,0]=4 10946 B13R1.511 Cc1ccc(cc1F)NC[C@@H](C)O 7a_100000210958_100009817552 [1,1,0,0,0,0|2,0,0]=4 10947 B13R1.511 Cc1ccc(cc1F)OCC(C)C 34a_100000722560_100000210624 [1,1,0,0,0,0|2,0,0]=4 10948 B13R1.511 Cc1ccc(cc1F)OCC(C)C 7a_100000722560_100000210760 [1,1,0,0,0,0|2,0,0]=4 10949 B13R1.511 Cc1ccc(cc1F)OCC(C)O 34a_100000722560_100011218427 [1,1,0,0,0,0|1,0,0]=3 10950 B13R1.511 Cc1ccc(cc1F)OCC(C)O 7a_100000722560_100011218427 [1,1,0,0,0,0|1,0,0]=3 10951 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 34a_100000722560_100009817552 [1,1,0,0,0,0|1,0,0]=3 10952 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 7a_100000722560_100009817552 [1,1,0,0,0,0|1,0,0]=3 10953 B13R1.511 Cc1ccc(cc1F)SCC(C)O 62a_100000720648_100011218427 [1,1,0,0,0,0|1,1,0]=4 10954 B13R1.511 Cc1ccc(cc1F)SCC(C)O 62a_100011218427_100000720648 [1,1,0,0,0,0|1,1,0]=4 10955 B13R1.511 Cc1ccc(cc1F)SC[C@@H](C)O 62a_100000720648_100009817552 [1,1,0,0,0,0|1,1,0]=4 10956 B13R1.511 Cc1ccc(cc1F)SC[C@@H](C)O 62a_100009817552_100000720648 [1,1,0,0,0,0|1,1,0]=4 10957 B13R1.511 Cc1ccc(cc1I)NCC(C)O 34a_100000184131_100011218427 [1,1,0,0,0,0|2,0,0]=4 10958 B13R1.511 Cc1ccc(cc1I)NCC(C)O 7a_100000184131_100011218427 [1,1,0,0,0,0|2,0,0]=4 10959 B13R1.511 Cc1ccc(cc1I)NC[C@@H](C)O 34a_100000184131_100009817552 [1,1,0,0,0,0|2,0,0]=4 10960 B13R1.511 Cc1ccc(cc1I)NC[C@@H](C)O 7a_100000184131_100009817552 [1,1,0,0,0,0|2,0,0]=4 10961 B13R1.511 Cc1ccc(cc1N)OCC(C)C 34a_100011216113_100000210624 [1,1,0,0,0,0|2,0,0]=4 10962 B13R1.511 Cc1ccc(cc1N)OCC(C)C 7a_100011216113_100000210760 [1,1,0,0,0,0|2,0,0]=4 10963 B13R1.511 Cc1ccc(cc1N)OCC(C)O 34a_100011216113_100011218427 [1,1,0,0,0,0|1,0,0]=3 10964 B13R1.511 Cc1ccc(cc1N)OCC(C)O 7a_100011216113_100011218427 [1,1,0,0,0,0|1,0,0]=3 10965 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 34a_100011216113_100009817552 [1,1,0,0,0,0|1,0,0]=3 10966 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 7a_100011216113_100009817552 [1,1,0,0,0,0|1,0,0]=3 10967 B13R1.511 Cc1ccc(cc1N)SCC(C)O 62a_100000761890_100011218427 [1,1,0,0,0,0|1,1,0]=4 10968 B13R1.511 Cc1ccc(cc1N)SCC(C)O 62a_100011218427_100000761890 [1,1,0,0,0,0|1,1,0]=4 10969 B13R1.511 Cc1ccc(cc1N)SC[C@@H](C)O 62a_100000761890_100009817552 [1,1,0,0,0,0|1,1,0]=4 10970 B13R1.511 Cc1ccc(cc1N)SC[C@@H](C)O 62a_100009817552_100000761890 [1,1,0,0,0,0|1,1,0]=4 10971 B13R1.511 Cc1ccc(cc1O)NCC(C)O 34a_100000759471_100011218427 [1,1,0,0,0,0|2,0,0]=4 10972 B13R1.511 Cc1ccc(cc1O)NCC(C)O 7a_100000759471_100011218427 [1,1,0,0,0,0|2,0,0]=4 10973 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 34a_100000759471_100009817552 [1,1,0,0,0,0|2,0,0]=4 10974 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 7a_100000759471_100009817552 [1,1,0,0,0,0|2,0,0]=4 10975 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100000685420_100011218427 [1,1,0,0,0,0|1,1,0]=4 10976 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100011218427_100000685420 [1,1,0,0,0,0|1,1,0]=4 10977 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100000685420_100009817552 [1,1,0,0,0,0|1,1,0]=4 10978 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100009817552_100000685420 [1,1,0,0,0,0|1,1,0]=4 10979 B13R1.511 Cc1cnc(cc1Br)OCC(C)O 34a_100009831917_100011218427 [1,1,0,0,0,0|2,0,0]=4 10980 B13R1.511 Cc1cnc(cc1Br)OC[C@@H](C)O 34a_100009831917_100009817552 [1,1,0,0,0,0|2,0,0]=4 10981 B13R1.511 Cc1nc(ccc1Br)OCC(C)O 34a_100000691680_100011218427 [1,1,0,0,0,0|1,1,0]=4 10982 B13R1.511 Cc1nc(ccc1Br)OC[C@@H](C)O 34a_100000691680_100009817552 [1,1,0,0,0,0|1,1,0]=4 10983 B13R1.511 Cc1nc(ccc1Cl)OCC(C)C 34a_200009863735_100000210624 [1,1,0,0,0,0|2,0,0]=4 10984 B13R1.511 Cc1nc(ccc1Cl)OCC(C)O 34a_200009863735_100011218427 [1,1,0,0,0,0|1,0,0]=3 10985 B13R1.511 Cc1nc(ccc1Cl)OC[C@@H](C)O 34a_200009863735_100009817552 [1,1,0,0,0,0|1,0,0]=3 10986 B13R1.511 Cc1ncc(cc1Br)OCC(C)O 34a_100009819603_100011218427 [1,1,0,0,0,0|2,0,0]=4 10987 B13R1.511 Cc1ncc(cc1Br)OCC(C)O 7a_100009819603_100011218427 [1,1,0,0,0,0|2,0,0]=4 10988 B13R1.511 Cc1ncc(cc1Br)OC[C@@H](C)O 34a_100009819603_100009817552 [1,1,0,0,0,0|2,0,0]=4 10989 B13R1.511 Cc1ncc(cc1Br)OC[C@@H](C)O 7a_100009819603_100009817552 [1,1,0,0,0,0|2,0,0]=4 10990 B13R1.511 FC(F)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011934356 [1,1,0,0,0,0|2,0,0]=4 10991 B13R1.511 FC(F)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011934356 [1,1,0,0,0,0|2,0,0]=4 10992 B13R1.511 FC(F)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011934356 [1,1,0,0,0,0|2,0,0]=4 10993 B13R1.511 FC(F)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011934356 [1,1,0,0,0,0|2,0,0]=4 10994 B13R1.511 FC(F)COc1ccc(c(c1)I)Cl 34a_100000049588_100011934356 [1,1,0,0,0,0|2,0,0]=4 10995 B13R1.511 FC(F)COc1ccc(c(c1)I)Cl 7a_100000049588_100011934356 [1,1,0,0,0,0|2,0,0]=4 10996 B13R1.511 Fc1cc(ccc1Cl)OCC(F)F 34a_100000691581_100011934356 [1,1,0,0,0,0|2,0,0]=4 10997 B13R1.511 Fc1cc(ccc1Cl)OCC(F)F 7a_100000691581_100011934356 [1,1,0,0,0,0|2,0,0]=4 10998 B13R1.511 Nc1cc(ccc1Cl)OCC(F)F 34a_100011934297_100011934356 [1,1,0,0,0,0|2,0,0]=4 10999 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200025704644 [1,1,0,0,0,0|0,0,2]=4 11000 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200025704644 [1,1,0,0,0,0|0,0,2]=4 11001 B13R1.512 CC(C)(C)CNc1ccc(cc1)Cl 34a_100000210052_100011219605 [1,1,0,0,0,0|2,0,0]=4 11002 B13R1.512 CC(C)(C)COc1ccc(cc1)Br 34a_100000185759_100011219605 [1,1,0,0,0,0|1,1,0]=4 11003 B13R1.512 CC(C)(C)COc1ccc(cc1)Cl 34a_100000210216_100011219605 [1,1,0,0,0,0|1,0,0]=3 11004 B13R1.512 CC(C)(C)COc1ccc(cc1)F 34a_100000210339_100011219605 [1,1,0,0,0,0|1,1,0]=4 11005 B13R1.512 CC(C)(C)COc1ccc(cc1)I 34a_100000212066_100011219605 [1,1,0,0,0,0|1,1,0]=4 11006 B13R1.512 CC(C)(C)COc1ccc(cc1)N 34a_100000185829_100011219605 [1,1,0,0,0,0|2,0,0]=4 11007 B13R1.512 CC(C)(C)COc1ccc(cc1)O 271570a_203496583355_200010229346 [1,1,0,0,0,0|2,0,0]=4 11008 B13R1.512 CC(C)(C)COc1ccc(cn1)Cl 34a_100011215309_100011219605 [1,1,0,0,0,0|2,0,0]=4 11009 B13R1.512 CC(C)(C)COc1ccc(nc1)Cl 34a_100000744096_100011219605 [1,1,0,0,0,0|2,0,0]=4 11010 B13R1.512 CC(C)(C)CSc1ccc(cc1)Cl 62a_100000755918_100011219605 [1,1,0,0,0,0|1,1,0]=4 11011 B13R1.512 CC(C)(C)CSc1ccc(cc1)Cl 62a_100011219605_100000755918 [1,1,0,0,0,0|1,1,0]=4 11012 B13R1.512 CC(C)(F)CNc1ccc(cc1)Cl 34a_100000210052_100011997219 [1,1,0,0,0,0|2,0,0]=4 11013 B13R1.512 CC(C)(F)COc1ccc(cc1)Br 34a_100000185759_100011997219 [1,1,0,0,0,0|1,1,0]=4 11014 B13R1.512 CC(C)(F)COc1ccc(cc1)Cl 34a_100000210216_100011997219 [1,1,0,0,0,0|1,0,0]=3 11015 B13R1.512 CC(C)(F)COc1ccc(cc1)F 34a_100000210339_100011997219 [1,1,0,0,0,0|1,1,0]=4 11016 B13R1.512 CC(C)(F)COc1ccc(cc1)I 34a_100000212066_100011997219 [1,1,0,0,0,0|1,1,0]=4 11017 B13R1.512 CC(C)(F)COc1ccc(cc1)N 34a_100000185829_100011997219 [1,1,0,0,0,0|2,0,0]=4 11018 B13R1.512 CC(C)(F)COc1ccc(cn1)Cl 34a_100011215309_100011997219 [1,1,0,0,0,0|2,0,0]=4 11019 B13R1.512 CC(C)(F)COc1ccc(nc1)Cl 34a_100000744096_100011997219 [1,1,0,0,0,0|2,0,0]=4 11020 B13R1.512 CC(C)(F)CSc1ccc(cc1)Cl 62a_100000755918_100011997219 [1,1,0,0,0,0|1,1,0]=4 11021 B13R1.512 CC(C)(F)CSc1ccc(cc1)Cl 62a_100011997219_100000755918 [1,1,0,0,0,0|1,1,0]=4 11022 B13R1.512 CC(C)(O)C=Cc1ccc(cc1)Cl 271570a_200016258132_100000755918 [1,1,0,0,0,0|1,0,1]=4 11023 B13R1.512 CC(C)(O)CNc1ccc(cc1)Br 34a_100000210018_100000764493 [1,1,0,0,0,0|1,1,0]=4 11024 B13R1.512 CC(C)(O)CNc1ccc(cc1)Cl 34a_100000210052_100000764493 [1,1,0,0,0,0|1,0,0]=3 11025 B13R1.512 CC(C)(O)CNc1ccc(cc1)F 34a_100000185862_100000764493 [1,1,0,0,0,0|1,1,0]=4 11026 B13R1.512 CC(C)(O)CNc1ccc(cc1)I 34a_100000185761_100000764493 [1,1,0,0,0,0|1,1,0]=4 11027 B13R1.512 CC(C)(O)CNc1ccc(cc1)O 34a_100000185829_100000764493 [1,1,0,0,0,0|2,0,0]=4 11028 B13R1.512 CC(C)(O)COc1ccc(=O)[nH]c1 34a_100000075641_100000764493 [1,1,0,0,0,0|2,0,0]=4 11029 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 34a_100000185759_100000764493 [1,1,0,0,0,0|0,1,0]=3 11030 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 7a_100000185759_100000764493 [1,1,0,0,0,0|0,1,0]=3 11031 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 34a_100000210216_100000764493 [1,1,0,0,0,0|0,0,0]=2 11032 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 7a_100000210216_100000764493 [1,1,0,0,0,0|0,0,0]=2 11033 B13R1.512 CC(C)(O)COc1ccc(cc1)F 34a_100000210339_100000764493 [1,1,0,0,0,0|0,1,0]=3 11034 B13R1.512 CC(C)(O)COc1ccc(cc1)I 34a_100000212066_100000764493 [1,1,0,0,0,0|0,1,0]=3 11035 B13R1.512 CC(C)(O)COc1ccc(cc1)I 7a_100000212066_100000764493 [1,1,0,0,0,0|0,1,0]=3 11036 B13R1.512 CC(C)(O)COc1ccc(cc1)N 34a_100000185829_100000764493 [1,1,0,0,0,0|1,0,0]=3 11037 B13R1.512 CC(C)(O)COc1ccc(cn1)Cl 34a_100011215309_100000764493 [1,1,0,0,0,0|1,0,0]=3 11038 B13R1.512 CC(C)(O)COc1ccc(cn1)F 34a_100000742473_100000764493 [1,1,0,0,0,0|1,1,0]=4 11039 B13R1.512 CC(C)(O)COc1ccc(cn1)N 34a_100000729260_100000764493 [1,1,0,0,0,0|2,0,0]=4 11040 B13R1.512 CC(C)(O)COc1ccc(nc1)Br 34a_100000685995_100000764493 [1,1,0,0,0,0|1,1,0]=4 11041 B13R1.512 CC(C)(O)COc1ccc(nc1)Br 7a_100000685995_100000764493 [1,1,0,0,0,0|1,1,0]=4 11042 B13R1.512 CC(C)(O)COc1ccc(nc1)Cl 34a_100000744096_100000764493 [1,1,0,0,0,0|1,0,0]=3 11043 B13R1.512 CC(C)(O)COc1ccc(nc1)Cl 7a_100000744096_100000764493 [1,1,0,0,0,0|1,0,0]=3 11044 B13R1.512 CC(C)(O)COc1ccc(nc1)F 34a_100000688820_100000764493 [1,1,0,0,0,0|1,1,0]=4 11045 B13R1.512 CC(C)(O)COc1ccc(nc1)F 7a_100000688820_100000764493 [1,1,0,0,0,0|1,1,0]=4 11046 B13R1.512 CC(C)(O)COc1ccc(nc1)I 34a_100000687607_100000764493 [1,1,0,0,0,0|1,1,0]=4 11047 B13R1.512 CC(C)(O)COc1ccc(nc1)I 7a_100000687607_100000764493 [1,1,0,0,0,0|1,1,0]=4 11048 B13R1.512 CC(C)(O)COc1ccc(nc1)N 34a_100015188713_100000764493 [1,1,0,0,0,0|2,0,0]=4 11049 B13R1.512 CC(C)(O)COc1ccc(nc1)N 7a_100015188713_100000764493 [1,1,0,0,0,0|2,0,0]=4 11050 B13R1.512 CC(C)(O)COc1cnc(cn1)Cl 34a_100015839800_100000764493 [1,1,0,0,0,0|2,0,0]=4 11051 B13R1.512 CC(C)(O)COc1cnc(nc1)Cl 34a_100000092845_100000764493 [1,1,0,0,0,0|2,0,0]=4 11052 B13R1.512 CC(C)(O)COc1cnc(nc1)Cl 7a_100000092845_100000764493 [1,1,0,0,0,0|2,0,0]=4 11053 B13R1.512 CC(C)(O)CSc1ccc(cc1)Br 62a_100000752885_100000764493 [1,1,0,0,0,0|0,2,0]=4 11054 B13R1.512 CC(C)(O)CSc1ccc(cc1)Br 62a_100000764493_100000752885 [1,1,0,0,0,0|0,2,0]=4 11055 B13R1.512 CC(C)(O)CSc1ccc(cc1)Cl 62a_100000755918_100000764493 [1,1,0,0,0,0|0,1,0]=3 11056 B13R1.512 CC(C)(O)CSc1ccc(cc1)Cl 62a_100000764493_100000755918 [1,1,0,0,0,0|0,1,0]=3 11057 B13R1.512 CC(C)(O)CSc1ccc(cc1)F 62a_100000211213_100000764493 [1,1,0,0,0,0|0,2,0]=4 11058 B13R1.512 CC(C)(O)CSc1ccc(cc1)F 62a_100000764493_100000211213 [1,1,0,0,0,0|0,2,0]=4 11059 B13R1.512 CC(C)(O)CSc1ccc(cc1)N 62a_100000185761_100000764493 [1,1,0,0,0,0|1,1,0]=4 11060 B13R1.512 CC(C)(O)CSc1ccc(cc1)N 62a_100000764493_100000185761 [1,1,0,0,0,0|1,1,0]=4 11061 B13R1.512 CC(C)(O)CSc1ccc(cc1)O 62a_100000764493_100000185759 [1,1,0,0,0,0|1,1,0]=4 11062 B13R1.512 CC(C)(O)CSc1ccc(cn1)Cl 62a_100000764493_100011356976 [1,1,0,0,0,0|1,1,0]=4 11063 B13R1.512 CC(C)(O)CSc1ccc(cn1)Cl 62a_100011356976_100000764493 [1,1,0,0,0,0|1,1,0]=4 11064 B13R1.512 CC(C)(O)CSc1ccc(nc1)Cl 62a_100000034144_100000764493 [1,1,0,0,0,0|1,1,0]=4 11065 B13R1.512 CC(C)(O)CSc1ccc(nc1)Cl 62a_100000764493_100000034144 [1,1,0,0,0,0|1,1,0]=4 11066 B13R1.512 C[Si](C)(C)COc1ccc(cc1)Cl 7a_100000210216_100000233785 [1,1,0,0,0,0|1,1,0]=4 11067 B13R1.512 Cc1ccc(cc1)NCC(C)(C)O 34a_100000124888_100000764493 [1,1,0,0,0,0|2,0,0]=4 11068 B13R1.512 Cc1ccc(cc1)OCC(C)(C)C 34a_100000210336_100011219605 [1,1,0,0,0,0|2,0,0]=4 11069 B13R1.512 Cc1ccc(cc1)OCC(C)(C)F 34a_100000210336_100011997219 [1,1,0,0,0,0|2,0,0]=4 11070 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 34a_100000210336_100000764493 [1,1,0,0,0,0|1,0,0]=3 11071 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 7a_100000210336_100000764493 [1,1,0,0,0,0|1,0,0]=3 11072 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000186775_100000764493 [1,1,0,0,0,0|1,1,0]=4 11073 B13R1.512 Cc1ccc(cc1)SCC(C)(C)O 62a_100000764493_100000186775 [1,1,0,0,0,0|1,1,0]=4 11074 B13R1.512 Cc1ccc(cn1)OCC(C)(C)O 34a_100000745506_100000764493 [1,1,0,0,0,0|2,0,0]=4 11075 B13R1.512 Cc1ccc(cn1)OCC(C)(C)O 7a_100000745506_100000764493 [1,1,0,0,0,0|2,0,0]=4 11076 B13R1.512 Cc1ccc(nc1)OCC(C)(C)O 34a_100000759353_100000764493 [1,1,0,0,0,0|2,0,0]=4 11077 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [1,1,0,0,0,0|2,0,0]=4 11078 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [1,1,0,0,0,0|2,0,0]=4 11079 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [1,1,0,0,0,0|2,0,0]=4 11080 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [1,1,0,0,0,0|2,0,0]=4 11081 B13R1.11 CN(CC(O)CO)c1ccccc1 2230a_100000210012_100011219619 [1,1,0,0,0,0|1,0,0]=3 11082 B13R1.11 CN(CC(O)CO)c1ccccc1 34a_100000210012_100011219619 [1,1,0,0,0,0|1,0,0]=3 11083 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 2230a_100000210012_100015614560 [1,1,0,0,0,0|2,0,0]=4 11084 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 34a_100000210012_100015614560 [1,1,0,0,0,0|2,0,0]=4 11085 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 2230a_100000210012_100009815848 [1,1,0,0,0,0|1,0,0]=3 11086 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 34a_100000210012_100009815848 [1,1,0,0,0,0|1,0,0]=3 11087 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [1,1,0,0,0,0|2,0,0]=4 11088 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [1,1,0,0,0,0|2,0,0]=4 11089 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [1,1,0,0,0,0|2,0,0]=4 11090 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [1,1,0,0,0,0|2,0,0]=4 11091 B13R1.15 C=CC(O)COc1cccc(c1)Br 34a_100000210342_100000730141 [1,1,0,0,0,0|1,0,1]=4 11092 B13R1.15 C=CC(O)COc1cccc(c1)Br 7a_100000210342_100000730141 [1,1,0,0,0,0|1,0,1]=4 11093 B13R1.15 C=CC(O)COc1cccc(c1)C 34a_100000210337_100000730141 [1,1,0,0,0,0|1,0,1]=4 11094 B13R1.15 C=CC(O)COc1cccc(c1)C 7a_100000210337_100000730141 [1,1,0,0,0,0|1,0,1]=4 11095 B13R1.15 C=CC(O)COc1cccc(c1)Cl 34a_100000210295_100000730141 [1,1,0,0,0,0|1,0,1]=4 11096 B13R1.15 C=CC(O)COc1cccc(c1)Cl 7a_100000210295_100000730141 [1,1,0,0,0,0|1,0,1]=4 11097 B13R1.15 C=CC(O)COc1cccc(c1)F 34a_100000210426_100000730141 [1,1,0,0,0,0|1,0,1]=4 11098 B13R1.15 C=CC(O)COc1cccc(c1)F 7a_100000210426_100000730141 [1,1,0,0,0,0|1,0,1]=4 11099 B13R1.15 C=CC(O)COc1cccc(c1)I 34a_100000211634_100000730141 [1,1,0,0,0,0|1,0,1]=4 11100 B13R1.15 C=CC(O)COc1cccc(c1)I 7a_100000211634_100000730141 [1,1,0,0,0,0|1,0,1]=4 11101 B13R1.15 C=CC(O)COc1cccc(c1)N 34a_100000210217_100000730141 [1,1,0,0,0,0|1,0,1]=4 11102 B13R1.15 CCC(C)COc1cccc(c1)Br 34a_100000210342_100000748023 [1,1,0,0,0,0|2,0,0]=4 11103 B13R1.15 CCC(C)COc1cccc(c1)Br 7a_100000210342_100000748023 [1,1,0,0,0,0|2,0,0]=4 11104 B13R1.15 CCC(C)COc1cccc(c1)C 34a_100000210337_100000748023 [1,1,0,0,0,0|2,0,0]=4 11105 B13R1.15 CCC(C)COc1cccc(c1)C 7a_100000210337_100000748023 [1,1,0,0,0,0|2,0,0]=4 11106 B13R1.15 CCC(C)COc1cccc(c1)Cl 34a_100000210295_100000748023 [1,1,0,0,0,0|2,0,0]=4 11107 B13R1.15 CCC(C)COc1cccc(c1)Cl 7a_100000210295_100000748023 [1,1,0,0,0,0|2,0,0]=4 11108 B13R1.15 CCC(C)COc1cccc(c1)F 34a_100000210426_100000748023 [1,1,0,0,0,0|2,0,0]=4 11109 B13R1.15 CCC(C)COc1cccc(c1)F 7a_100000210426_100000748023 [1,1,0,0,0,0|2,0,0]=4 11110 B13R1.15 CCC(C)COc1cccc(c1)I 34a_100000211634_100000748023 [1,1,0,0,0,0|2,0,0]=4 11111 B13R1.15 CCC(C)COc1cccc(c1)I 7a_100000211634_100000748023 [1,1,0,0,0,0|2,0,0]=4 11112 B13R1.15 CCC(C)COc1cccc(c1)N 34a_100000210217_100000748023 [1,1,0,0,0,0|2,0,0]=4 11113 B13R1.15 CCC(O)CNc1cccc(c1)Br 34a_100000210019_100011218378 [1,1,0,0,0,0|2,0,0]=4 11114 B13R1.15 CCC(O)CNc1cccc(c1)C 2230a_100000188690_100011218378 [1,1,0,0,0,0|2,0,0]=4 11115 B13R1.15 CCC(O)CNc1cccc(c1)C 34a_100000188690_100011218378 [1,1,0,0,0,0|2,0,0]=4 11116 B13R1.15 CCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218378 [1,1,0,0,0,0|2,0,0]=4 11117 B13R1.15 CCC(O)CNc1cccc(c1)F 34a_100000210047_100011218378 [1,1,0,0,0,0|2,0,0]=4 11118 B13R1.15 CCC(O)CNc1cccc(c1)I 34a_100000211102_100011218378 [1,1,0,0,0,0|2,0,0]=4 11119 B13R1.15 CCC(O)CNc1cccc(c1)O 34a_100000210217_100011218378 [1,1,0,0,0,0|2,0,0]=4 11120 B13R1.15 CCC(O)COc1cc[nH]c(=O)c1 34a_100000032262_100011218378 [1,1,0,0,0,0|2,0,0]=4 11121 B13R1.15 CCC(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100011218378 [1,1,0,0,0,0|2,0,0]=4 11122 B13R1.15 CCC(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100011218378 [1,1,0,0,0,0|2,0,0]=4 11123 B13R1.15 CCC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218378 [1,1,0,0,0,0|2,0,0]=4 11124 B13R1.15 CCC(O)COc1cccc(c1)Br 34a_100000210342_100011218378 [1,1,0,0,0,0|1,0,0]=3 11125 B13R1.15 CCC(O)COc1cccc(c1)Br 7a_100000210342_100011218378 [1,1,0,0,0,0|1,0,0]=3 11126 B13R1.15 CCC(O)COc1cccc(c1)C 34a_100000210337_100011218378 [1,1,0,0,0,0|1,0,0]=3 11127 B13R1.15 CCC(O)COc1cccc(c1)C 7a_100000210337_100011218378 [1,1,0,0,0,0|1,0,0]=3 11128 B13R1.15 CCC(O)COc1cccc(c1)Cl 34a_100000210295_100011218378 [1,1,0,0,0,0|1,0,0]=3 11129 B13R1.15 CCC(O)COc1cccc(c1)Cl 7a_100000210295_100011218378 [1,1,0,0,0,0|1,0,0]=3 11130 B13R1.15 CCC(O)COc1cccc(c1)F 34a_100000210426_100011218378 [1,1,0,0,0,0|1,0,0]=3 11131 B13R1.15 CCC(O)COc1cccc(c1)F 7a_100000210426_100011218378 [1,1,0,0,0,0|1,0,0]=3 11132 B13R1.15 CCC(O)COc1cccc(c1)I 34a_100000211634_100011218378 [1,1,0,0,0,0|1,0,0]=3 11133 B13R1.15 CCC(O)COc1cccc(c1)I 7a_100000211634_100011218378 [1,1,0,0,0,0|1,0,0]=3 11134 B13R1.15 CCC(O)COc1cccc(c1)N 34a_100000210217_100011218378 [1,1,0,0,0,0|1,0,0]=3 11135 B13R1.15 CCC(O)COc1cccc(n1)F 34a_100011432558_100011218378 [1,1,0,0,0,0|2,0,0]=4 11136 B13R1.15 CCC(O)COc1ccnc(c1)C 34a_100000688365_100011218378 [1,1,0,0,0,0|2,0,0]=4 11137 B13R1.15 CCC(O)COc1ccnc(c1)Cl 34a_100000762945_100011218378 [1,1,0,0,0,0|2,0,0]=4 11138 B13R1.15 CCC(O)COc1ccnc(c1)F 34a_100000732698_100011218378 [1,1,0,0,0,0|2,0,0]=4 11139 B13R1.15 CCC(O)COc1ccnc(c1)N 34a_100011834064_100011218378 [1,1,0,0,0,0|2,0,0]=4 11140 B13R1.15 CCC(O)COc1cncc(c1)Br 34a_100000754920_100011218378 [1,1,0,0,0,0|2,0,0]=4 11141 B13R1.15 CCC(O)COc1cncc(c1)Br 7a_100000754920_100011218378 [1,1,0,0,0,0|2,0,0]=4 11142 B13R1.15 CCC(O)COc1cncc(c1)C 34a_100011830280_100011218378 [1,1,0,0,0,0|2,0,0]=4 11143 B13R1.15 CCC(O)COc1cncc(c1)C 7a_100011830280_100011218378 [1,1,0,0,0,0|2,0,0]=4 11144 B13R1.15 CCC(O)COc1cncc(c1)Cl 7a_100000032511_100011218378 [1,1,0,0,0,0|2,0,0]=4 11145 B13R1.15 CCC(O)COc1cncc(c1)F 34a_100011830296_100011218378 [1,1,0,0,0,0|2,0,0]=4 11146 B13R1.15 CCC(O)COc1cncc(c1)F 7a_100011830296_100011218378 [1,1,0,0,0,0|2,0,0]=4 11147 B13R1.15 CCC(O)COc1cncc(c1)N 34a_100011997051_100011218378 [1,1,0,0,0,0|2,0,0]=4 11148 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100000691529_100011218378 [1,1,0,0,0,0|1,1,0]=4 11149 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100011218378_100000691529 [1,1,0,0,0,0|1,1,0]=4 11150 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011215228_100011218378 [1,1,0,0,0,0|1,1,0]=4 11151 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011218378_100011215228 [1,1,0,0,0,0|1,1,0]=4 11152 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218378 [1,1,0,0,0,0|1,1,0]=4 11153 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100011218378_100000699651 [1,1,0,0,0,0|1,1,0]=4 11154 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100000685547_100011218378 [1,1,0,0,0,0|1,1,0]=4 11155 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100011218378_100000685547 [1,1,0,0,0,0|1,1,0]=4 11156 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100000210019_100011218378 [1,1,0,0,0,0|1,1,0]=4 11157 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100011218378_100000210019 [1,1,0,0,0,0|1,1,0]=4 11158 B13R1.15 CCC(O)CSc1cccc(c1)O 62a_100011218378_100000211634 [1,1,0,0,0,0|1,1,0]=4 11159 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_100011218378_114929384022 [1,1,0,0,0,0|1,1,0]=4 11160 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218378 [1,1,0,0,0,0|1,1,0]=4 11161 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 34a_100000210342_100009816398 [1,1,0,0,0,0|2,0,0]=4 11162 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 7a_100000210342_100009816398 [1,1,0,0,0,0|2,0,0]=4 11163 B13R1.15 CC[C@H](C)COc1cccc(c1)C 34a_100000210337_100009816398 [1,1,0,0,0,0|2,0,0]=4 11164 B13R1.15 CC[C@H](C)COc1cccc(c1)C 7a_100000210337_100009816398 [1,1,0,0,0,0|2,0,0]=4 11165 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 34a_100000210295_100009816398 [1,1,0,0,0,0|2,0,0]=4 11166 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 7a_100000210295_100009816398 [1,1,0,0,0,0|2,0,0]=4 11167 B13R1.15 CC[C@H](C)COc1cccc(c1)F 34a_100000210426_100009816398 [1,1,0,0,0,0|2,0,0]=4 11168 B13R1.15 CC[C@H](C)COc1cccc(c1)F 7a_100000210426_100009816398 [1,1,0,0,0,0|2,0,0]=4 11169 B13R1.15 CC[C@H](C)COc1cccc(c1)I 34a_100000211634_100009816398 [1,1,0,0,0,0|2,0,0]=4 11170 B13R1.15 CC[C@H](C)COc1cccc(c1)I 7a_100000211634_100009816398 [1,1,0,0,0,0|2,0,0]=4 11171 B13R1.15 CC[C@H](C)COc1cccc(c1)N 34a_100000210217_100009816398 [1,1,0,0,0,0|2,0,0]=4 11172 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br 34a_100000210019_100000059175 [1,1,0,0,0,0|2,0,0]=4 11173 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 34a_100000185859_100000059175 [1,1,0,0,0,0|2,0,0]=4 11174 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F 34a_100000210047_100000059175 [1,1,0,0,0,0|2,0,0]=4 11175 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 34a_100000211102_100000059175 [1,1,0,0,0,0|2,0,0]=4 11176 B13R1.15 C[C@@H](CO)CNc1cccc(c1)O 34a_100000210217_100000059175 [1,1,0,0,0,0|2,0,0]=4 11177 B13R1.15 C[C@@H](CO)COc1cc[nH]c(=O)c1 34a_100000032262_100000059175 [1,1,0,0,0,0|2,0,0]=4 11178 B13R1.15 C[C@@H](CO)COc1ccc[n+](c1)[O-] 34a_100000039713_100000059175 [1,1,0,0,0,0|2,0,0]=4 11179 B13R1.15 C[C@@H](CO)COc1ccc[n+](c1)[O-] 7a_100000039713_100000059175 [1,1,0,0,0,0|2,0,0]=4 11180 B13R1.15 C[C@@H](CO)COc1cccc(=O)[nH]1 34a_100000033347_100000059175 [1,1,0,0,0,0|2,0,0]=4 11181 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [1,1,0,0,0,0|1,0,0]=3 11182 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [1,1,0,0,0,0|1,0,0]=3 11183 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [1,1,0,0,0,0|1,0,0]=3 11184 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [1,1,0,0,0,0|1,0,0]=3 11185 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [1,1,0,0,0,0|1,0,0]=3 11186 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [1,1,0,0,0,0|1,0,0]=3 11187 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [1,1,0,0,0,0|1,0,0]=3 11188 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [1,1,0,0,0,0|1,0,0]=3 11189 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [1,1,0,0,0,0|1,0,0]=3 11190 B13R1.15 C[C@@H](CO)COc1cccc(n1)F 34a_100011432558_100000059175 [1,1,0,0,0,0|2,0,0]=4 11191 B13R1.15 C[C@@H](CO)COc1ccnc(c1)Cl 34a_100000762945_100000059175 [1,1,0,0,0,0|2,0,0]=4 11192 B13R1.15 C[C@@H](CO)COc1ccnc(c1)F 34a_100000732698_100000059175 [1,1,0,0,0,0|2,0,0]=4 11193 B13R1.15 C[C@@H](CO)COc1ccnc(c1)N 34a_100011834064_100000059175 [1,1,0,0,0,0|2,0,0]=4 11194 B13R1.15 C[C@@H](CO)COc1cncc(c1)Br 34a_100000754920_100000059175 [1,1,0,0,0,0|2,0,0]=4 11195 B13R1.15 C[C@@H](CO)COc1cncc(c1)Br 7a_100000754920_100000059175 [1,1,0,0,0,0|2,0,0]=4 11196 B13R1.15 C[C@@H](CO)COc1cncc(c1)Cl 7a_100000032511_100000059175 [1,1,0,0,0,0|2,0,0]=4 11197 B13R1.15 C[C@@H](CO)COc1cncc(c1)F 34a_100011830296_100000059175 [1,1,0,0,0,0|2,0,0]=4 11198 B13R1.15 C[C@@H](CO)COc1cncc(c1)F 7a_100011830296_100000059175 [1,1,0,0,0,0|2,0,0]=4 11199 B13R1.15 C[C@@H](CO)COc1cncc(c1)N 34a_100011997051_100000059175 [1,1,0,0,0,0|2,0,0]=4 11200 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000059175_100000691529 [1,1,0,0,0,0|1,1,0]=4 11201 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000691529_100000059175 [1,1,0,0,0,0|1,1,0]=4 11202 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000059175_100000699651 [1,1,0,0,0,0|1,1,0]=4 11203 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000699651_100000059175 [1,1,0,0,0,0|1,1,0]=4 11204 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000059175_100000685547 [1,1,0,0,0,0|1,1,0]=4 11205 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000685547_100000059175 [1,1,0,0,0,0|1,1,0]=4 11206 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000059175_100000210019 [1,1,0,0,0,0|1,1,0]=4 11207 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000210019_100000059175 [1,1,0,0,0,0|1,1,0]=4 11208 B13R1.15 C[C@@H](CO)CSc1cccc(c1)O 62a_100000059175_100000211634 [1,1,0,0,0,0|1,1,0]=4 11209 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_100000059175_114929384022 [1,1,0,0,0,0|1,1,0]=4 11210 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_114929384022_100000059175 [1,1,0,0,0,0|1,1,0]=4 11211 B13R1.15 C[n+]1cccc(c1)SCC(O)CO 62a_100009996589_100011219619 [1,1,0,0,0,0|1,1,0]=4 11212 B13R1.15 C[n+]1cccc(c1)SCC(O)CO 62a_100011219619_100009996589 [1,1,0,0,0,0|1,1,0]=4 11213 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100009996589 [1,1,0,0,0,0|1,1,0]=4 11214 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CO 62a_100009996589_100009815848 [1,1,0,0,0,0|1,1,0]=4 11215 B13R1.15 Cc1cc(ccn1)NC[C@H](O)CO 27a_100020644852_100000758586 [1,1,0,0,0,0|2,0,0]=4 11216 B13R1.15 Cc1cc(ccn1)OCC(O)CO 34a_100000688365_100011219619 [1,1,0,0,0,0|1,0,0]=3 11217 B13R1.15 Cc1cc(ccn1)OC[C@@H](C)CO 34a_100000688365_100000059175 [1,1,0,0,0,0|2,0,0]=4 11218 B13R1.15 Cc1cc(ccn1)OC[C@@H](O)CF 34a_100000688365_100015614560 [1,1,0,0,0,0|2,0,0]=4 11219 B13R1.15 Cc1cc(ccn1)OC[C@@H](O)CO 34a_100000688365_100009815848 [1,1,0,0,0,0|1,0,0]=3 11220 B13R1.15 Cc1cc(ccn1)SCC(O)CO 62a_100000758586_100011219619 [1,1,0,0,0,0|1,1,0]=4 11221 B13R1.15 Cc1cc(ccn1)SCC(O)CO 62a_100011219619_100000758586 [1,1,0,0,0,0|1,1,0]=4 11222 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CO 62a_100000758586_100009815848 [1,1,0,0,0,0|1,1,0]=4 11223 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CO 62a_100009815848_100000758586 [1,1,0,0,0,0|1,1,0]=4 11224 B13R1.15 Cc1cccc(c1)NCC(O)CO 2230a_100000188690_100011219619 [1,1,0,0,0,0|1,0,0]=3 11225 B13R1.15 Cc1cccc(c1)NCC(O)CO 34a_100000188690_100011219619 [1,1,0,0,0,0|1,0,0]=3 11226 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 2230a_100000188690_100000059175 [1,1,0,0,0,0|2,0,0]=4 11227 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 34a_100000188690_100000059175 [1,1,0,0,0,0|2,0,0]=4 11228 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 2230a_100000188690_100015614560 [1,1,0,0,0,0|2,0,0]=4 11229 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 34a_100000188690_100015614560 [1,1,0,0,0,0|2,0,0]=4 11230 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 2230a_100000188690_100009815848 [1,1,0,0,0,0|1,0,0]=3 11231 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 34a_100000188690_100009815848 [1,1,0,0,0,0|1,0,0]=3 11232 B13R1.15 Cc1cccc(c1)OCC(O)CO 34a_100000210337_100011219619 [1,1,0,0,0,0|0,0,0]=2 11233 B13R1.15 Cc1cccc(c1)OCC(O)CO 7a_100000210337_100011219619 [1,1,0,0,0,0|0,0,0]=2 11234 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [1,1,0,0,0,0|1,0,0]=3 11235 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [1,1,0,0,0,0|1,0,0]=3 11236 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 34a_100000210337_100015614560 [1,1,0,0,0,0|1,0,0]=3 11237 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 7a_100000210337_100015614560 [1,1,0,0,0,0|1,0,0]=3 11238 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 34a_100000210337_100009815848 [1,1,0,0,0,0|0,0,0]=2 11239 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 7a_100000210337_100009815848 [1,1,0,0,0,0|0,0,0]=2 11240 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011215228_100011219619 [1,1,0,0,0,0|0,1,0]=3 11241 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011219619_100011215228 [1,1,0,0,0,0|0,1,0]=3 11242 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100011215228 [1,1,0,0,0,0|1,1,0]=4 11243 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100011215228_100000059175 [1,1,0,0,0,0|1,1,0]=4 11244 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100011215228_100015614560 [1,1,0,0,0,0|1,1,0]=4 11245 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100011215228 [1,1,0,0,0,0|1,1,0]=4 11246 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100011215228 [1,1,0,0,0,0|0,1,0]=3 11247 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100011215228_100009815848 [1,1,0,0,0,0|0,1,0]=3 11248 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100000742759_100011219619 [1,1,0,0,0,0|1,1,0]=4 11249 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100011219619_100000742759 [1,1,0,0,0,0|1,1,0]=4 11250 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100000742759_100009815848 [1,1,0,0,0,0|1,1,0]=4 11251 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000742759 [1,1,0,0,0,0|1,1,0]=4 11252 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100000750283_100011219619 [1,1,0,0,0,0|1,1,0]=4 11253 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100011219619_100000750283 [1,1,0,0,0,0|1,1,0]=4 11254 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100000750283_100009815848 [1,1,0,0,0,0|1,1,0]=4 11255 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100000750283 [1,1,0,0,0,0|1,1,0]=4 11256 B13R1.15 Cc1cncc(c1)OCC(O)CO 34a_100011830280_100011219619 [1,1,0,0,0,0|1,0,0]=3 11257 B13R1.15 Cc1cncc(c1)OCC(O)CO 7a_100011830280_100011219619 [1,1,0,0,0,0|1,0,0]=3 11258 B13R1.15 Cc1cncc(c1)OC[C@@H](C)CO 34a_100011830280_100000059175 [1,1,0,0,0,0|2,0,0]=4 11259 B13R1.15 Cc1cncc(c1)OC[C@@H](C)CO 7a_100011830280_100000059175 [1,1,0,0,0,0|2,0,0]=4 11260 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CF 34a_100011830280_100015614560 [1,1,0,0,0,0|2,0,0]=4 11261 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CF 7a_100011830280_100015614560 [1,1,0,0,0,0|2,0,0]=4 11262 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CO 34a_100011830280_100009815848 [1,1,0,0,0,0|1,0,0]=3 11263 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CO 7a_100011830280_100009815848 [1,1,0,0,0,0|1,0,0]=3 11264 B13R1.15 Cc1cncc(c1)SCC(O)CO 62a_100000760492_100011219619 [1,1,0,0,0,0|1,1,0]=4 11265 B13R1.15 Cc1cncc(c1)SCC(O)CO 62a_100011219619_100000760492 [1,1,0,0,0,0|1,1,0]=4 11266 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CO 62a_100000760492_100009815848 [1,1,0,0,0,0|1,1,0]=4 11267 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CO 62a_100009815848_100000760492 [1,1,0,0,0,0|1,1,0]=4 11268 B13R1.15 Cc1cnnc(c1)OCC(O)CO 34a_100000766097_100011219619 [1,1,0,0,0,0|2,0,0]=4 11269 B13R1.15 Cc1cnnc(c1)OC[C@@H](O)CO 34a_100000766097_100009815848 [1,1,0,0,0,0|2,0,0]=4 11270 B13R1.15 Nc1cc(ccn1)OCC(O)CO 34a_100011834064_100011219619 [1,1,0,0,0,0|1,0,0]=3 11271 B13R1.15 Nc1cc(ccn1)OC[C@@H](O)CF 34a_100011834064_100015614560 [1,1,0,0,0,0|2,0,0]=4 11272 B13R1.15 Nc1cc(ccn1)OC[C@@H](O)CO 34a_100011834064_100009815848 [1,1,0,0,0,0|1,0,0]=3 11273 B13R1.15 Nc1cc(ccn1)SCC(O)CO 62a_100000049665_100011219619 [1,1,0,0,0,0|1,1,0]=4 11274 B13R1.15 Nc1cc(ccn1)SCC(O)CO 62a_100011219619_100000049665 [1,1,0,0,0,0|1,1,0]=4 11275 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CO 62a_100000049665_100009815848 [1,1,0,0,0,0|1,1,0]=4 11276 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CO 62a_100009815848_100000049665 [1,1,0,0,0,0|1,1,0]=4 11277 B13R1.15 Nc1cc(cnn1)OCC(O)CO 34a_200015193112_100011219619 [1,1,0,0,0,0|2,0,0]=4 11278 B13R1.15 Nc1cc(cnn1)OC[C@@H](O)CO 34a_200015193112_100009815848 [1,1,0,0,0,0|2,0,0]=4 11279 B13R1.15 Nc1cccc(c1)OCC(O)CO 34a_100000210217_100011219619 [1,1,0,0,0,0|0,0,0]=2 11280 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CF 34a_100000210217_100015614560 [1,1,0,0,0,0|1,0,0]=3 11281 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CO 34a_100000210217_100009815848 [1,1,0,0,0,0|0,0,0]=2 11282 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100000210019_100011219619 [1,1,0,0,0,0|0,1,0]=3 11283 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100011219619_100000210019 [1,1,0,0,0,0|0,1,0]=3 11284 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100000210019_100015614560 [1,1,0,0,0,0|1,1,0]=4 11285 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000210019 [1,1,0,0,0,0|1,1,0]=4 11286 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100000210019_100009815848 [1,1,0,0,0,0|0,1,0]=3 11287 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100000210019 [1,1,0,0,0,0|0,1,0]=3 11288 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100000740741_100011219619 [1,1,0,0,0,0|1,1,0]=4 11289 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100011219619_100000740741 [1,1,0,0,0,0|1,1,0]=4 11290 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100000740741_100009815848 [1,1,0,0,0,0|1,1,0]=4 11291 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000740741 [1,1,0,0,0,0|1,1,0]=4 11292 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100009814236_100011219619 [1,1,0,0,0,0|1,1,0]=4 11293 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100011219619_100009814236 [1,1,0,0,0,0|1,1,0]=4 11294 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009814236_100009815848 [1,1,0,0,0,0|1,1,0]=4 11295 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100009814236 [1,1,0,0,0,0|1,1,0]=4 11296 B13R1.15 Nc1cncc(c1)OCC(O)CO 34a_100011997051_100011219619 [1,1,0,0,0,0|1,0,0]=3 11297 B13R1.15 Nc1cncc(c1)OC[C@@H](O)CF 34a_100011997051_100015614560 [1,1,0,0,0,0|2,0,0]=4 11298 B13R1.15 Nc1cncc(c1)OC[C@@H](O)CO 34a_100011997051_100009815848 [1,1,0,0,0,0|1,0,0]=3 11299 B13R1.15 Nc1cncc(c1)SCC(O)CO 62a_100000687067_100011219619 [1,1,0,0,0,0|1,1,0]=4 11300 B13R1.15 Nc1cncc(c1)SCC(O)CO 62a_100011219619_100000687067 [1,1,0,0,0,0|1,1,0]=4 11301 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CO 62a_100000687067_100009815848 [1,1,0,0,0,0|1,1,0]=4 11302 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CO 62a_100009815848_100000687067 [1,1,0,0,0,0|1,1,0]=4 11303 B13R1.15 O=c1cc(cc[nH]1)NC[C@H](O)CO 27a_100020644852_100000061649 [1,1,0,0,0,0|2,0,0]=4 11304 B13R1.15 O=c1cc(cc[nH]1)OCC(O)CO 34a_100000032262_100011219619 [1,1,0,0,0,0|1,0,0]=3 11305 B13R1.15 O=c1cc(cc[nH]1)OC[C@@H](O)CF 34a_100000032262_100015614560 [1,1,0,0,0,0|2,0,0]=4 11306 B13R1.15 O=c1cc(cc[nH]1)OC[C@@H](O)CO 34a_100000032262_100009815848 [1,1,0,0,0,0|1,0,0]=3 11307 B13R1.15 O=c1cc(cc[nH]1)SCC(O)CO 62a_100009816521_100011219619 [1,1,0,0,0,0|1,1,0]=4 11308 B13R1.15 O=c1cc(cc[nH]1)SCC(O)CO 62a_100011219619_100009816521 [1,1,0,0,0,0|1,1,0]=4 11309 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CO 62a_100009815848_100009816521 [1,1,0,0,0,0|1,1,0]=4 11310 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CO 62a_100009816521_100009815848 [1,1,0,0,0,0|1,1,0]=4 11311 B13R1.15 O=c1cc[nH]c(c1)SCC(O)CO 62a_100009817434_100011219619 [1,1,0,0,0,0|1,1,0]=4 11312 B13R1.15 O=c1cc[nH]c(c1)SC[C@@H](O)CO 62a_100009817434_100009815848 [1,1,0,0,0,0|1,1,0]=4 11313 B13R1.15 O=c1cccc([nH]1)OCC(O)CO 34a_100000033347_100011219619 [1,1,0,0,0,0|1,0,0]=3 11314 B13R1.15 O=c1cccc([nH]1)OC[C@@H](O)CF 34a_100000033347_100015614560 [1,1,0,0,0,0|2,0,0]=4 11315 B13R1.15 O=c1cccc([nH]1)OC[C@@H](O)CO 34a_100000033347_100009815848 [1,1,0,0,0,0|1,0,0]=3 11316 B13R1.15 O=c1cccc([nH]1)SCC(O)CO 62a_100011219619_100000752884 [1,1,0,0,0,0|1,1,0]=4 11317 B13R1.15 O=c1cccc([nH]1)SC[C@@H](O)CO 62a_100009815848_100000752884 [1,1,0,0,0,0|1,1,0]=4 11318 B13R1.15 OCC(O)CNc1cccc(c1)Br 34a_100000210019_100011219619 [1,1,0,0,0,0|1,0,0]=3 11319 B13R1.15 OCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011219619 [1,1,0,0,0,0|1,0,0]=3 11320 B13R1.15 OCC(O)CNc1cccc(c1)F 34a_100000210047_100011219619 [1,1,0,0,0,0|1,0,0]=3 11321 B13R1.15 OCC(O)CNc1cccc(c1)I 34a_100000211102_100011219619 [1,1,0,0,0,0|1,0,0]=3 11322 B13R1.15 OCC(O)CNc1cccc(c1)O 34a_100000210217_100011219619 [1,1,0,0,0,0|1,0,0]=3 11323 B13R1.15 OCC(O)COc1cccc(c1)Br 34a_100000210342_100011219619 [1,1,0,0,0,0|0,0,0]=2 11324 B13R1.15 OCC(O)COc1cccc(c1)Br 7a_100000210342_100011219619 [1,1,0,0,0,0|0,0,0]=2 11325 B13R1.15 OCC(O)COc1cccc(c1)Cl 34a_100000210295_100011219619 [1,1,0,0,0,0|0,0,0]=2 11326 B13R1.15 OCC(O)COc1cccc(c1)Cl 7a_100000210295_100011219619 [1,1,0,0,0,0|0,0,0]=2 11327 B13R1.15 OCC(O)COc1cccc(c1)F 34a_100000210426_100011219619 [1,1,0,0,0,0|0,0,0]=2 11328 B13R1.15 OCC(O)COc1cccc(c1)F 7a_100000210426_100011219619 [1,1,0,0,0,0|0,0,0]=2 11329 B13R1.15 OCC(O)COc1cccc(c1)I 34a_100000211634_100011219619 [1,1,0,0,0,0|0,0,0]=2 11330 B13R1.15 OCC(O)COc1cccc(c1)I 7a_100000211634_100011219619 [1,1,0,0,0,0|0,0,0]=2 11331 B13R1.15 OCC(O)COc1cccc(n1)F 34a_100011432558_100011219619 [1,1,0,0,0,0|1,0,0]=3 11332 B13R1.15 OCC(O)COc1ccnc(c1)Cl 34a_100000762945_100011219619 [1,1,0,0,0,0|1,0,0]=3 11333 B13R1.15 OCC(O)COc1ccnc(c1)F 34a_100000732698_100011219619 [1,1,0,0,0,0|1,0,0]=3 11334 B13R1.15 OCC(O)COc1cncc(c1)Br 34a_100000754920_100011219619 [1,1,0,0,0,0|1,0,0]=3 11335 B13R1.15 OCC(O)COc1cncc(c1)Br 7a_100000754920_100011219619 [1,1,0,0,0,0|1,0,0]=3 11336 B13R1.15 OCC(O)COc1cncc(c1)Cl 7a_100000032511_100011219619 [1,1,0,0,0,0|1,0,0]=3 11337 B13R1.15 OCC(O)COc1cncc(c1)F 34a_100011830296_100011219619 [1,1,0,0,0,0|1,0,0]=3 11338 B13R1.15 OCC(O)COc1cncc(c1)F 7a_100011830296_100011219619 [1,1,0,0,0,0|1,0,0]=3 11339 B13R1.15 OCC(O)COc1cnnc(c1)Cl 34a_200010734679_100011219619 [1,1,0,0,0,0|2,0,0]=4 11340 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011219619 [1,1,0,0,0,0|1,1,0]=4 11341 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100011219619_100010167805 [1,1,0,0,0,0|1,1,0]=4 11342 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100000764206_100011219619 [1,1,0,0,0,0|1,1,0]=4 11343 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100011219619_100000764206 [1,1,0,0,0,0|1,1,0]=4 11344 B13R1.15 OCC(O)CSc1cc(ccn1)O 62a_100011219619_100000762945 [1,1,0,0,0,0|1,1,0]=4 11345 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100000691529_100011219619 [1,1,0,0,0,0|0,1,0]=3 11346 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100011219619_100000691529 [1,1,0,0,0,0|0,1,0]=3 11347 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011219619 [1,1,0,0,0,0|0,1,0]=3 11348 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100011219619_100000699651 [1,1,0,0,0,0|0,1,0]=3 11349 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100000685547_100011219619 [1,1,0,0,0,0|0,1,0]=3 11350 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100011219619_100000685547 [1,1,0,0,0,0|0,1,0]=3 11351 B13R1.15 OCC(O)CSc1cccc(c1)O 62a_100011219619_100000211634 [1,1,0,0,0,0|0,1,0]=3 11352 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_100011219619_114929384022 [1,1,0,0,0,0|0,1,0]=3 11353 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011219619 [1,1,0,0,0,0|0,1,0]=3 11354 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100000684672_100011219619 [1,1,0,0,0,0|1,1,0]=4 11355 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100011219619_100000684672 [1,1,0,0,0,0|1,1,0]=4 11356 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100000051397_100011219619 [1,1,0,0,0,0|1,1,0]=4 11357 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100011219619_100000051397 [1,1,0,0,0,0|1,1,0]=4 11358 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100009815982_100011219619 [1,1,0,0,0,0|1,1,0]=4 11359 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100011219619_100009815982 [1,1,0,0,0,0|1,1,0]=4 11360 B13R1.15 OCC(O)CSc1ccnc(c1)Br 62a_100009814637_100011219619 [1,1,0,0,0,0|1,1,0]=4 11361 B13R1.15 OCC(O)CSc1ccnc(c1)Br 62a_100011219619_100009814637 [1,1,0,0,0,0|1,1,0]=4 11362 B13R1.15 OCC(O)CSc1ccnc(c1)Cl 62a_100000035001_100011219619 [1,1,0,0,0,0|1,1,0]=4 11363 B13R1.15 OCC(O)CSc1ccnc(c1)Cl 62a_100011219619_100000035001 [1,1,0,0,0,0|1,1,0]=4 11364 B13R1.15 OCC(O)CSc1ccnc(c1)F 62a_100009816116_100011219619 [1,1,0,0,0,0|1,1,0]=4 11365 B13R1.15 OCC(O)CSc1ccnc(c1)F 62a_100011219619_100009816116 [1,1,0,0,0,0|1,1,0]=4 11366 B13R1.15 OCC(O)CSc1cncc(c1)Br 62a_100000728054_100011219619 [1,1,0,0,0,0|1,1,0]=4 11367 B13R1.15 OCC(O)CSc1cncc(c1)Br 62a_100011219619_100000728054 [1,1,0,0,0,0|1,1,0]=4 11368 B13R1.15 OCC(O)CSc1cncc(c1)Cl 62a_100000049639_100011219619 [1,1,0,0,0,0|1,1,0]=4 11369 B13R1.15 OCC(O)CSc1cncc(c1)Cl 62a_100011219619_100000049639 [1,1,0,0,0,0|1,1,0]=4 11370 B13R1.15 OCC(O)CSc1cncc(c1)F 62a_100000744099_100011219619 [1,1,0,0,0,0|1,1,0]=4 11371 B13R1.15 OCC(O)CSc1cncc(c1)F 62a_100011219619_100000744099 [1,1,0,0,0,0|1,1,0]=4 11372 B13R1.15 OCC(O)CSc1cncc(c1)O 62a_100000754920_100011219619 [1,1,0,0,0,0|1,1,0]=4 11373 B13R1.15 OCC(O)CSc1cncc(c1)O 62a_100011219619_100000754920 [1,1,0,0,0,0|1,1,0]=4 11374 B13R1.15 OC[C@@H](O)CNc1cc(ccn1)F 27a_100020644852_100000764206 [1,1,0,0,0,0|2,0,0]=4 11375 B13R1.15 OC[C@@H](O)CNc1cccc(n1)F 27a_100020644852_100009815982 [1,1,0,0,0,0|2,0,0]=4 11376 B13R1.15 OC[C@@H](O)CNc1ccnc(c1)F 27a_100020644852_100009816116 [1,1,0,0,0,0|2,0,0]=4 11377 B13R1.15 OC[C@H](O)CNc1cccc(c1)Br 34a_100000210019_100009815848 [1,1,0,0,0,0|1,0,0]=3 11378 B13R1.15 OC[C@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009815848 [1,1,0,0,0,0|1,0,0]=3 11379 B13R1.15 OC[C@H](O)CNc1cccc(c1)F 34a_100000210047_100009815848 [1,1,0,0,0,0|1,0,0]=3 11380 B13R1.15 OC[C@H](O)CNc1cccc(c1)I 34a_100000211102_100009815848 [1,1,0,0,0,0|1,0,0]=3 11381 B13R1.15 OC[C@H](O)CNc1cccc(c1)O 34a_100000210217_100009815848 [1,1,0,0,0,0|1,0,0]=3 11382 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 34a_100000210342_100009815848 [1,1,0,0,0,0|0,0,0]=2 11383 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 7a_100000210342_100009815848 [1,1,0,0,0,0|0,0,0]=2 11384 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 34a_100000210295_100009815848 [1,1,0,0,0,0|0,0,0]=2 11385 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 7a_100000210295_100009815848 [1,1,0,0,0,0|0,0,0]=2 11386 B13R1.15 OC[C@H](O)COc1cccc(c1)F 34a_100000210426_100009815848 [1,1,0,0,0,0|0,0,0]=2 11387 B13R1.15 OC[C@H](O)COc1cccc(c1)F 7a_100000210426_100009815848 [1,1,0,0,0,0|0,0,0]=2 11388 B13R1.15 OC[C@H](O)COc1cccc(c1)I 34a_100000211634_100009815848 [1,1,0,0,0,0|0,0,0]=2 11389 B13R1.15 OC[C@H](O)COc1cccc(c1)I 7a_100000211634_100009815848 [1,1,0,0,0,0|0,0,0]=2 11390 B13R1.15 OC[C@H](O)COc1cccc(n1)F 34a_100011432558_100009815848 [1,1,0,0,0,0|1,0,0]=3 11391 B13R1.15 OC[C@H](O)COc1ccnc(c1)Cl 34a_100000762945_100009815848 [1,1,0,0,0,0|1,0,0]=3 11392 B13R1.15 OC[C@H](O)COc1ccnc(c1)F 34a_100000732698_100009815848 [1,1,0,0,0,0|1,0,0]=3 11393 B13R1.15 OC[C@H](O)COc1cncc(c1)Br 34a_100000754920_100009815848 [1,1,0,0,0,0|1,0,0]=3 11394 B13R1.15 OC[C@H](O)COc1cncc(c1)Br 7a_100000754920_100009815848 [1,1,0,0,0,0|1,0,0]=3 11395 B13R1.15 OC[C@H](O)COc1cncc(c1)Cl 7a_100000032511_100009815848 [1,1,0,0,0,0|1,0,0]=3 11396 B13R1.15 OC[C@H](O)COc1cncc(c1)F 34a_100011830296_100009815848 [1,1,0,0,0,0|1,0,0]=3 11397 B13R1.15 OC[C@H](O)COc1cncc(c1)F 7a_100011830296_100009815848 [1,1,0,0,0,0|1,0,0]=3 11398 B13R1.15 OC[C@H](O)COc1cnnc(c1)Cl 34a_200010734679_100009815848 [1,1,0,0,0,0|2,0,0]=4 11399 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100009815848_100010167805 [1,1,0,0,0,0|1,1,0]=4 11400 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009815848 [1,1,0,0,0,0|1,1,0]=4 11401 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100000764206_100009815848 [1,1,0,0,0,0|1,1,0]=4 11402 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100009815848_100000764206 [1,1,0,0,0,0|1,1,0]=4 11403 B13R1.15 OC[C@H](O)CSc1cc(ccn1)O 62a_100009815848_100000762945 [1,1,0,0,0,0|1,1,0]=4 11404 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100000691529_100009815848 [1,1,0,0,0,0|0,1,0]=3 11405 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100009815848_100000691529 [1,1,0,0,0,0|0,1,0]=3 11406 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009815848 [1,1,0,0,0,0|0,1,0]=3 11407 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100009815848_100000699651 [1,1,0,0,0,0|0,1,0]=3 11408 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100000685547_100009815848 [1,1,0,0,0,0|0,1,0]=3 11409 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100009815848_100000685547 [1,1,0,0,0,0|0,1,0]=3 11410 B13R1.15 OC[C@H](O)CSc1cccc(c1)O 62a_100009815848_100000211634 [1,1,0,0,0,0|0,1,0]=3 11411 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_100009815848_114929384022 [1,1,0,0,0,0|0,1,0]=3 11412 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009815848 [1,1,0,0,0,0|0,1,0]=3 11413 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100000684672_100009815848 [1,1,0,0,0,0|1,1,0]=4 11414 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100009815848_100000684672 [1,1,0,0,0,0|1,1,0]=4 11415 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009815848 [1,1,0,0,0,0|1,1,0]=4 11416 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100009815848_100000051397 [1,1,0,0,0,0|1,1,0]=4 11417 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815848_100009815982 [1,1,0,0,0,0|1,1,0]=4 11418 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815982_100009815848 [1,1,0,0,0,0|1,1,0]=4 11419 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Br 62a_100009814637_100009815848 [1,1,0,0,0,0|1,1,0]=4 11420 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Br 62a_100009815848_100009814637 [1,1,0,0,0,0|1,1,0]=4 11421 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Cl 62a_100000035001_100009815848 [1,1,0,0,0,0|1,1,0]=4 11422 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Cl 62a_100009815848_100000035001 [1,1,0,0,0,0|1,1,0]=4 11423 B13R1.15 OC[C@H](O)CSc1ccnc(c1)F 62a_100009815848_100009816116 [1,1,0,0,0,0|1,1,0]=4 11424 B13R1.15 OC[C@H](O)CSc1ccnc(c1)F 62a_100009816116_100009815848 [1,1,0,0,0,0|1,1,0]=4 11425 B13R1.15 OC[C@H](O)CSc1cncc(c1)Br 62a_100000728054_100009815848 [1,1,0,0,0,0|1,1,0]=4 11426 B13R1.15 OC[C@H](O)CSc1cncc(c1)Br 62a_100009815848_100000728054 [1,1,0,0,0,0|1,1,0]=4 11427 B13R1.15 OC[C@H](O)CSc1cncc(c1)Cl 62a_100000049639_100009815848 [1,1,0,0,0,0|1,1,0]=4 11428 B13R1.15 OC[C@H](O)CSc1cncc(c1)Cl 62a_100009815848_100000049639 [1,1,0,0,0,0|1,1,0]=4 11429 B13R1.15 OC[C@H](O)CSc1cncc(c1)F 62a_100000744099_100009815848 [1,1,0,0,0,0|1,1,0]=4 11430 B13R1.15 OC[C@H](O)CSc1cncc(c1)F 62a_100009815848_100000744099 [1,1,0,0,0,0|1,1,0]=4 11431 B13R1.15 OC[C@H](O)CSc1cncc(c1)O 62a_100000754920_100009815848 [1,1,0,0,0,0|1,1,0]=4 11432 B13R1.15 OC[C@H](O)CSc1cncc(c1)O 62a_100009815848_100000754920 [1,1,0,0,0,0|1,1,0]=4 11433 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Br 34a_100000210019_100015614560 [1,1,0,0,0,0|2,0,0]=4 11434 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Cl 34a_100000185859_100015614560 [1,1,0,0,0,0|2,0,0]=4 11435 B13R1.15 O[C@@H](CF)CNc1cccc(c1)F 34a_100000210047_100015614560 [1,1,0,0,0,0|2,0,0]=4 11436 B13R1.15 O[C@@H](CF)CNc1cccc(c1)I 34a_100000211102_100015614560 [1,1,0,0,0,0|2,0,0]=4 11437 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 34a_100000210342_100015614560 [1,1,0,0,0,0|1,0,0]=3 11438 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 7a_100000210342_100015614560 [1,1,0,0,0,0|1,0,0]=3 11439 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 34a_100000210295_100015614560 [1,1,0,0,0,0|1,0,0]=3 11440 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 7a_100000210295_100015614560 [1,1,0,0,0,0|1,0,0]=3 11441 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 34a_100000210426_100015614560 [1,1,0,0,0,0|1,0,0]=3 11442 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 7a_100000210426_100015614560 [1,1,0,0,0,0|1,0,0]=3 11443 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 34a_100000211634_100015614560 [1,1,0,0,0,0|1,0,0]=3 11444 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 7a_100000211634_100015614560 [1,1,0,0,0,0|1,0,0]=3 11445 B13R1.15 O[C@@H](CF)COc1cccc(n1)F 34a_100011432558_100015614560 [1,1,0,0,0,0|2,0,0]=4 11446 B13R1.15 O[C@@H](CF)COc1ccnc(c1)Cl 34a_100000762945_100015614560 [1,1,0,0,0,0|2,0,0]=4 11447 B13R1.15 O[C@@H](CF)COc1ccnc(c1)F 34a_100000732698_100015614560 [1,1,0,0,0,0|2,0,0]=4 11448 B13R1.15 O[C@@H](CF)COc1cncc(c1)Br 34a_100000754920_100015614560 [1,1,0,0,0,0|2,0,0]=4 11449 B13R1.15 O[C@@H](CF)COc1cncc(c1)Br 7a_100000754920_100015614560 [1,1,0,0,0,0|2,0,0]=4 11450 B13R1.15 O[C@@H](CF)COc1cncc(c1)Cl 7a_100000032511_100015614560 [1,1,0,0,0,0|2,0,0]=4 11451 B13R1.15 O[C@@H](CF)COc1cncc(c1)F 34a_100011830296_100015614560 [1,1,0,0,0,0|2,0,0]=4 11452 B13R1.15 O[C@@H](CF)COc1cncc(c1)F 7a_100011830296_100015614560 [1,1,0,0,0,0|2,0,0]=4 11453 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100000691529_100015614560 [1,1,0,0,0,0|1,1,0]=4 11454 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100015614560_100000691529 [1,1,0,0,0,0|1,1,0]=4 11455 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100000699651_100015614560 [1,1,0,0,0,0|1,1,0]=4 11456 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100015614560_100000699651 [1,1,0,0,0,0|1,1,0]=4 11457 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100000685547_100015614560 [1,1,0,0,0,0|1,1,0]=4 11458 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100015614560_100000685547 [1,1,0,0,0,0|1,1,0]=4 11459 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_100015614560_114929384022 [1,1,0,0,0,0|1,1,0]=4 11460 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_114929384022_100015614560 [1,1,0,0,0,0|1,1,0]=4 11461 B13R1.15 Oc1cccc(c1)NC[C@@H](O)CF 34a_100000210217_100015614560 [1,1,0,0,0,0|2,0,0]=4 11462 B13R1.15 Oc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000211634 [1,1,0,0,0,0|1,1,0]=4 11463 B13R1.15 [O-][n+]1cccc(c1)OCC(O)CO 34a_100000039713_100011219619 [1,1,0,0,0,0|1,0,0]=3 11464 B13R1.15 [O-][n+]1cccc(c1)OCC(O)CO 7a_100000039713_100011219619 [1,1,0,0,0,0|1,0,0]=3 11465 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CF 34a_100000039713_100015614560 [1,1,0,0,0,0|2,0,0]=4 11466 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CF 7a_100000039713_100015614560 [1,1,0,0,0,0|2,0,0]=4 11467 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CO 34a_100000039713_100009815848 [1,1,0,0,0,0|1,0,0]=3 11468 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CO 7a_100000039713_100009815848 [1,1,0,0,0,0|1,0,0]=3 11469 B13R1.15 [O-][n+]1cccc(c1)SCC(O)CO 62a_100011219619_100009815978 [1,1,0,0,0,0|1,1,0]=4 11470 B13R1.15 [O-][n+]1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100009815978 [1,1,0,0,0,0|1,1,0]=4 11471 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [1,1,0,0,0,0|2,0,0]=4 11472 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [1,1,0,0,0,0|2,0,0]=4 11473 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [1,1,0,0,0,0|2,0,0]=4 11474 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [1,1,0,0,0,0|2,0,0]=4 11475 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [1,1,0,0,0,0|2,0,0]=4 11476 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [1,1,0,0,0,0|2,0,0]=4 11477 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [1,1,0,0,0,0|2,0,0]=4 11478 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [1,1,0,0,0,0|2,0,0]=4 11479 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [1,1,0,0,0,0|2,0,0]=4 11480 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [1,1,0,0,0,0|2,0,0]=4 11481 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [1,1,0,0,0,0|1,0,0]=3 11482 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [1,1,0,0,0,0|1,0,0]=3 11483 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [1,1,0,0,0,0|1,0,0]=3 11484 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [1,1,0,0,0,0|0,0,0]=2 11485 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [1,1,0,0,0,0|0,0,0]=2 11486 B13R1.42 COCC(O)COc1cccnc1 34a_100000210849_100011215053 [1,1,0,0,0,0|1,0,0]=3 11487 B13R1.42 COCC(O)COc1cccnc1 7a_100000210849_100011215053 [1,1,0,0,0,0|1,0,0]=3 11488 B13R1.42 COCC(O)COc1ccncc1 34a_100000212176_100011215053 [1,1,0,0,0,0|1,0,0]=3 11489 B13R1.42 COCC(O)COc1ccnnc1 34a_100015204005_100011215053 [1,1,0,0,0,0|2,0,0]=4 11490 B13R1.42 COCC(O)COc1cncnc1 7a_100000754086_100011215053 [1,1,0,0,0,0|2,0,0]=4 11491 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [1,1,0,0,0,0|0,1,0]=3 11492 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [1,1,0,0,0,0|0,1,0]=3 11493 B13R1.42 COCC(O)CSc1ccccn1 62a_100011215053_100011216584 [1,1,0,0,0,0|1,1,0]=4 11494 B13R1.42 COCC(O)CSc1ccccn1 62a_100011216584_100011215053 [1,1,0,0,0,0|1,1,0]=4 11495 B13R1.42 COCC(O)CSc1cccnc1 62a_100000210063_100011215053 [1,1,0,0,0,0|1,1,0]=4 11496 B13R1.42 COCC(O)CSc1cccnc1 62a_100011215053_100000210063 [1,1,0,0,0,0|1,1,0]=4 11497 B13R1.42 COCC(O)CSc1ccncc1 62a_100000728582_100011215053 [1,1,0,0,0,0|1,1,0]=4 11498 B13R1.42 COCC(O)CSc1ccncc1 62a_100011215053_100000728582 [1,1,0,0,0,0|1,1,0]=4 11499 B13R1.42 N#CC[C@H](O)COc1ccccc1 7a_100000210340_100000001066 [1,1,0,0,0,0|1,0,0]=3 11500 B13R1.42 N#CC[C@H](O)COc1cccnc1 7a_100000210849_100000001066 [1,1,0,0,0,0|2,0,0]=4 11501 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000001066_100000041952 [1,1,0,0,0,0|1,1,0]=4 11502 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000719477_100000001066 [1,1,0,0,0,0|1,1,0]=4 11503 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [1,1,0,0,0,0|0,0,2]=4 11504 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [1,1,0,0,0,0|0,0,2]=4 11505 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [1,1,0,0,0,0|0,0,2]=4 11506 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [1,1,0,0,0,0|1,0,0]=3 11507 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [1,1,0,0,0,0|1,0,0]=3 11508 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [1,1,0,0,0,0|1,0,1]=4 11509 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [1,1,0,0,0,0|1,0,1]=4 11510 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [1,1,0,0,0,0|2,0,0]=4 11511 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [1,1,0,0,0,0|1,0,0]=3 11512 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [1,1,0,0,0,0|1,0,0]=3 11513 B13R1.254 CC(C)(CO)COc1cccnc1 34a_100000210849_100009813988 [1,1,0,0,0,0|2,0,0]=4 11514 B13R1.254 CC(C)(CO)COc1cccnc1 7a_100000210849_100009813988 [1,1,0,0,0,0|2,0,0]=4 11515 B13R1.254 CC(C)(CO)COc1ccncc1 34a_100000212176_100009813988 [1,1,0,0,0,0|2,0,0]=4 11516 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [1,1,0,0,0,0|1,1,0]=4 11517 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [1,1,0,0,0,0|1,1,0]=4 11518 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [1,1,0,0,0,0|2,0,0]=4 11519 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [1,1,0,0,0,0|2,0,0]=4 11520 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [1,1,0,0,0,0|1,0,0]=3 11521 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [1,1,0,0,0,0|2,0,0]=4 11522 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [1,1,0,0,0,0|2,0,0]=4 11523 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [1,1,0,0,0,0|2,0,0]=4 11524 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [1,1,0,0,0,0|2,0,0]=4 11525 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [1,1,0,0,0,0|1,0,0]=3 11526 B13R1.528 C=CC(O)COc1ccccc1Br 34a_100000181306_100000730141 [1,1,0,0,0,0|1,0,1]=4 11527 B13R1.528 C=CC(O)COc1ccccc1Br 7a_100000181306_100000730141 [1,1,0,0,0,0|1,0,1]=4 11528 B13R1.528 C=CC(O)COc1ccccc1C 34a_100000210338_100000730141 [1,1,0,0,0,0|1,0,1]=4 11529 B13R1.528 C=CC(O)COc1ccccc1C 7a_100000210338_100000730141 [1,1,0,0,0,0|1,0,1]=4 11530 B13R1.528 C=CC(O)COc1ccccc1Cl 34a_100000210172_100000730141 [1,1,0,0,0,0|1,0,1]=4 11531 B13R1.528 C=CC(O)COc1ccccc1Cl 7a_100000210172_100000730141 [1,1,0,0,0,0|1,0,1]=4 11532 B13R1.528 C=CC(O)COc1ccccc1F 34a_100000210171_100000730141 [1,1,0,0,0,0|1,0,1]=4 11533 B13R1.528 C=CC(O)COc1ccccc1F 7a_100000210171_100000730141 [1,1,0,0,0,0|1,0,1]=4 11534 B13R1.528 C=CC(O)COc1ccccc1I 34a_100000739446_100000730141 [1,1,0,0,0,0|1,0,1]=4 11535 B13R1.528 C=CC(O)COc1ccccc1I 7a_100000739446_100000730141 [1,1,0,0,0,0|1,0,1]=4 11536 B13R1.528 C=CC(O)COc1ccccc1N 34a_100000185747_100000730141 [1,1,0,0,0,0|1,0,1]=4 11537 B13R1.528 C=CC(O)COc1ccccc1N 7a_100000185747_100000730141 [1,1,0,0,0,0|1,0,1]=4 11538 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [1,1,0,0,0,0|2,0,0]=4 11539 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [1,1,0,0,0,0|2,0,0]=4 11540 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [1,1,0,0,0,0|2,0,0]=4 11541 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [1,1,0,0,0,0|2,0,0]=4 11542 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [1,1,0,0,0,0|2,0,0]=4 11543 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [1,1,0,0,0,0|2,0,0]=4 11544 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [1,1,0,0,0,0|2,0,0]=4 11545 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [1,1,0,0,0,0|2,0,0]=4 11546 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [1,1,0,0,0,0|2,0,0]=4 11547 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [1,1,0,0,0,0|2,0,0]=4 11548 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [1,1,0,0,0,0|2,0,0]=4 11549 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [1,1,0,0,0,0|2,0,0]=4 11550 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [1,1,0,0,0,0|2,0,0]=4 11551 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [1,1,0,0,0,0|2,0,0]=4 11552 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [1,1,0,0,0,0|2,0,0]=4 11553 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [1,1,0,0,0,0|2,0,0]=4 11554 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [1,1,0,0,0,0|2,0,0]=4 11555 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [1,1,0,0,0,0|2,0,0]=4 11556 B13R1.528 CCC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218378 [1,1,0,0,0,0|2,0,0]=4 11557 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [1,1,0,0,0,0|1,0,0]=3 11558 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [1,1,0,0,0,0|1,0,0]=3 11559 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [1,1,0,0,0,0|1,0,0]=3 11560 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [1,1,0,0,0,0|1,0,0]=3 11561 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [1,1,0,0,0,0|1,0,0]=3 11562 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [1,1,0,0,0,0|1,0,0]=3 11563 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [1,1,0,0,0,0|1,0,0]=3 11564 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [1,1,0,0,0,0|1,0,0]=3 11565 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [1,1,0,0,0,0|1,0,0]=3 11566 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [1,1,0,0,0,0|1,0,0]=3 11567 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [1,1,0,0,0,0|1,0,0]=3 11568 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [1,1,0,0,0,0|1,0,0]=3 11569 B13R1.528 CCC(O)COc1cccnc1Br 34a_100000744436_100011218378 [1,1,0,0,0,0|2,0,0]=4 11570 B13R1.528 CCC(O)COc1cccnc1Br 7a_100000744436_100011218378 [1,1,0,0,0,0|2,0,0]=4 11571 B13R1.528 CCC(O)COc1cccnc1C 34a_100000745507_100011218378 [1,1,0,0,0,0|2,0,0]=4 11572 B13R1.528 CCC(O)COc1cccnc1C 7a_100000745507_100011218378 [1,1,0,0,0,0|2,0,0]=4 11573 B13R1.528 CCC(O)COc1cccnc1Cl 34a_100000757616_100011218378 [1,1,0,0,0,0|2,0,0]=4 11574 B13R1.528 CCC(O)COc1cccnc1Cl 7a_100000757616_100011218378 [1,1,0,0,0,0|2,0,0]=4 11575 B13R1.528 CCC(O)COc1cccnc1F 34a_100000061740_100011218378 [1,1,0,0,0,0|2,0,0]=4 11576 B13R1.528 CCC(O)COc1cccnc1F 7a_100000061740_100011218378 [1,1,0,0,0,0|2,0,0]=4 11577 B13R1.528 CCC(O)COc1cccnc1I 34a_100000034122_100011218378 [1,1,0,0,0,0|2,0,0]=4 11578 B13R1.528 CCC(O)COc1cccnc1I 7a_100000034122_100011218378 [1,1,0,0,0,0|2,0,0]=4 11579 B13R1.528 CCC(O)COc1cccnc1N 34a_100000211975_100011218378 [1,1,0,0,0,0|2,0,0]=4 11580 B13R1.528 CCC(O)COc1cccnc1N 7a_100000211975_100011218378 [1,1,0,0,0,0|2,0,0]=4 11581 B13R1.528 CCC(O)COc1cccoc1=O 34a_100000077404_100011218378 [1,1,0,0,0,0|2,0,0]=4 11582 B13R1.528 CCC(O)COc1cccoc1=O 7a_100000077404_100011218378 [1,1,0,0,0,0|2,0,0]=4 11583 B13R1.528 CCC(O)COc1ccncc1Br 34a_100011996408_100011218378 [1,1,0,0,0,0|2,0,0]=4 11584 B13R1.528 CCC(O)COc1ccncc1C 34a_100000694293_100011218378 [1,1,0,0,0,0|2,0,0]=4 11585 B13R1.528 CCC(O)COc1ccncc1Cl 34a_100011997054_100011218378 [1,1,0,0,0,0|2,0,0]=4 11586 B13R1.528 CCC(O)COc1ccncc1F 34a_200000081243_100011218378 [1,1,0,0,0,0|2,0,0]=4 11587 B13R1.528 CCC(O)COc1cnccc1C 34a_100011997053_100011218378 [1,1,0,0,0,0|2,0,0]=4 11588 B13R1.528 CCC(O)COc1cnccc1C 7a_100011997053_100011218378 [1,1,0,0,0,0|2,0,0]=4 11589 B13R1.528 CCC(O)COc1cnccc1Cl 34a_100011996695_100011218378 [1,1,0,0,0,0|2,0,0]=4 11590 B13R1.528 CCC(O)COc1cnccc1I 34a_100000050107_100011218378 [1,1,0,0,0,0|2,0,0]=4 11591 B13R1.528 CCC(O)COc1cnccc1N 34a_100000753702_100011218378 [1,1,0,0,0,0|2,0,0]=4 11592 B13R1.528 CCC(O)COc1coccc1=O 34a_100000060831_100011218378 [1,1,0,0,0,0|2,0,0]=4 11593 B13R1.528 CCC(O)COc1ncccc1Cl 34a_100011290957_100011218378 [1,1,0,0,0,0|2,0,0]=4 11594 B13R1.528 CCC(O)COc1ncccc1F 34a_100011219419_100011218378 [1,1,0,0,0,0|2,0,0]=4 11595 B13R1.528 CCC(O)COc1ncccc1N 34a_100000746358_100011218378 [1,1,0,0,0,0|2,0,0]=4 11596 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [1,1,0,0,0,0|1,1,0]=4 11597 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [1,1,0,0,0,0|1,1,0]=4 11598 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [1,1,0,0,0,0|1,1,0]=4 11599 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [1,1,0,0,0,0|1,1,0]=4 11600 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [1,1,0,0,0,0|1,1,0]=4 11601 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [1,1,0,0,0,0|1,1,0]=4 11602 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [1,1,0,0,0,0|1,1,0]=4 11603 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [1,1,0,0,0,0|1,1,0]=4 11604 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [1,1,0,0,0,0|1,1,0]=4 11605 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [1,1,0,0,0,0|1,1,0]=4 11606 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [1,1,0,0,0,0|1,1,0]=4 11607 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [1,1,0,0,0,0|1,1,0]=4 11608 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [1,1,0,0,0,0|2,0,0]=4 11609 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [1,1,0,0,0,0|2,0,0]=4 11610 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [1,1,0,0,0,0|2,0,0]=4 11611 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [1,1,0,0,0,0|2,0,0]=4 11612 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [1,1,0,0,0,0|2,0,0]=4 11613 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [1,1,0,0,0,0|2,0,0]=4 11614 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [1,1,0,0,0,0|2,0,0]=4 11615 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [1,1,0,0,0,0|2,0,0]=4 11616 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [1,1,0,0,0,0|2,0,0]=4 11617 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [1,1,0,0,0,0|2,0,0]=4 11618 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [1,1,0,0,0,0|2,0,0]=4 11619 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [1,1,0,0,0,0|2,0,0]=4 11620 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [1,1,0,0,0,0|2,0,0]=4 11621 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [1,1,0,0,0,0|2,0,0]=4 11622 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [1,1,0,0,0,0|2,0,0]=4 11623 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [1,1,0,0,0,0|2,0,0]=4 11624 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [1,1,0,0,0,0|2,0,0]=4 11625 B13R1.528 C[C@@H](CO)COc1cccc[n+]1[O-] 7a_100000211761_100000059175 [1,1,0,0,0,0|2,0,0]=4 11626 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [1,1,0,0,0,0|1,0,0]=3 11627 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [1,1,0,0,0,0|1,0,0]=3 11628 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [1,1,0,0,0,0|1,0,0]=3 11629 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [1,1,0,0,0,0|1,0,0]=3 11630 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [1,1,0,0,0,0|1,0,0]=3 11631 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [1,1,0,0,0,0|1,0,0]=3 11632 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [1,1,0,0,0,0|1,0,0]=3 11633 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [1,1,0,0,0,0|1,0,0]=3 11634 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [1,1,0,0,0,0|1,0,0]=3 11635 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [1,1,0,0,0,0|1,0,0]=3 11636 B13R1.528 C[C@@H](CO)COc1cccnc1Br 34a_100000744436_100000059175 [1,1,0,0,0,0|2,0,0]=4 11637 B13R1.528 C[C@@H](CO)COc1cccnc1Br 7a_100000744436_100000059175 [1,1,0,0,0,0|2,0,0]=4 11638 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 34a_100000757616_100000059175 [1,1,0,0,0,0|2,0,0]=4 11639 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 7a_100000757616_100000059175 [1,1,0,0,0,0|2,0,0]=4 11640 B13R1.528 C[C@@H](CO)COc1cccnc1F 34a_100000061740_100000059175 [1,1,0,0,0,0|2,0,0]=4 11641 B13R1.528 C[C@@H](CO)COc1cccnc1F 7a_100000061740_100000059175 [1,1,0,0,0,0|2,0,0]=4 11642 B13R1.528 C[C@@H](CO)COc1cccnc1I 34a_100000034122_100000059175 [1,1,0,0,0,0|2,0,0]=4 11643 B13R1.528 C[C@@H](CO)COc1cccnc1I 7a_100000034122_100000059175 [1,1,0,0,0,0|2,0,0]=4 11644 B13R1.528 C[C@@H](CO)COc1cccnc1N 34a_100000211975_100000059175 [1,1,0,0,0,0|2,0,0]=4 11645 B13R1.528 C[C@@H](CO)COc1cccnc1N 7a_100000211975_100000059175 [1,1,0,0,0,0|2,0,0]=4 11646 B13R1.528 C[C@@H](CO)COc1cccoc1=O 34a_100000077404_100000059175 [1,1,0,0,0,0|2,0,0]=4 11647 B13R1.528 C[C@@H](CO)COc1cccoc1=O 7a_100000077404_100000059175 [1,1,0,0,0,0|2,0,0]=4 11648 B13R1.528 C[C@@H](CO)COc1ccncc1Br 34a_100011996408_100000059175 [1,1,0,0,0,0|2,0,0]=4 11649 B13R1.528 C[C@@H](CO)COc1ccncc1Cl 34a_100011997054_100000059175 [1,1,0,0,0,0|2,0,0]=4 11650 B13R1.528 C[C@@H](CO)COc1ccncc1F 34a_200000081243_100000059175 [1,1,0,0,0,0|2,0,0]=4 11651 B13R1.528 C[C@@H](CO)COc1cnccc1Cl 34a_100011996695_100000059175 [1,1,0,0,0,0|2,0,0]=4 11652 B13R1.528 C[C@@H](CO)COc1cnccc1I 34a_100000050107_100000059175 [1,1,0,0,0,0|2,0,0]=4 11653 B13R1.528 C[C@@H](CO)COc1cnccc1N 34a_100000753702_100000059175 [1,1,0,0,0,0|2,0,0]=4 11654 B13R1.528 C[C@@H](CO)COc1coccc1=O 34a_100000060831_100000059175 [1,1,0,0,0,0|2,0,0]=4 11655 B13R1.528 C[C@@H](CO)COc1ncccc1Cl 34a_100011290957_100000059175 [1,1,0,0,0,0|2,0,0]=4 11656 B13R1.528 C[C@@H](CO)COc1ncccc1F 34a_100011219419_100000059175 [1,1,0,0,0,0|2,0,0]=4 11657 B13R1.528 C[C@@H](CO)COc1ncccc1N 34a_100000746358_100000059175 [1,1,0,0,0,0|2,0,0]=4 11658 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [1,1,0,0,0,0|1,1,0]=4 11659 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [1,1,0,0,0,0|1,1,0]=4 11660 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [1,1,0,0,0,0|1,1,0]=4 11661 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [1,1,0,0,0,0|1,1,0]=4 11662 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [1,1,0,0,0,0|1,1,0]=4 11663 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [1,1,0,0,0,0|1,1,0]=4 11664 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [1,1,0,0,0,0|1,1,0]=4 11665 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [1,1,0,0,0,0|1,1,0]=4 11666 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [1,1,0,0,0,0|1,1,0]=4 11667 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [1,1,0,0,0,0|1,1,0]=4 11668 B13R1.528 C[n+]1ccccc1SCC(O)CO 62a_100011219619_100000212160 [1,1,0,0,0,0|1,1,0]=4 11669 B13R1.528 C[n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_100000212160 [1,1,0,0,0,0|1,1,0]=4 11670 B13R1.528 Cc1ccccc1NCC(O)CO 34a_100015192222_100011219619 [1,1,0,0,0,0|1,0,0]=3 11671 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [1,1,0,0,0,0|2,0,0]=4 11672 B13R1.528 Cc1ccccc1NC[C@@H](O)CF 34a_100015192222_100015614560 [1,1,0,0,0,0|2,0,0]=4 11673 B13R1.528 Cc1ccccc1NC[C@@H](O)CO 34a_100015192222_100009815848 [1,1,0,0,0,0|1,0,0]=3 11674 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [1,1,0,0,0,0|0,0,0]=2 11675 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [1,1,0,0,0,0|0,0,0]=2 11676 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [1,1,0,0,0,0|1,0,0]=3 11677 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [1,1,0,0,0,0|1,0,0]=3 11678 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 34a_100000210338_100015614560 [1,1,0,0,0,0|1,0,0]=3 11679 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 7a_100000210338_100015614560 [1,1,0,0,0,0|1,0,0]=3 11680 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [1,1,0,0,0,0|0,0,0]=2 11681 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [1,1,0,0,0,0|0,0,0]=2 11682 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100000210755_100011219619 [1,1,0,0,0,0|0,1,0]=3 11683 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100011219619_100000210755 [1,1,0,0,0,0|0,1,0]=3 11684 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [1,1,0,0,0,0|1,1,0]=4 11685 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [1,1,0,0,0,0|1,1,0]=4 11686 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100000210755_100015614560 [1,1,0,0,0,0|1,1,0]=4 11687 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210755 [1,1,0,0,0,0|1,1,0]=4 11688 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100000210755_100009815848 [1,1,0,0,0,0|0,1,0]=3 11689 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210755 [1,1,0,0,0,0|0,1,0]=3 11690 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100000751373_100011219619 [1,1,0,0,0,0|1,1,0]=4 11691 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100011219619_100000751373 [1,1,0,0,0,0|1,1,0]=4 11692 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100000751373_100009815848 [1,1,0,0,0,0|1,1,0]=4 11693 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000751373 [1,1,0,0,0,0|1,1,0]=4 11694 B13R1.528 Cc1ccncc1OCC(O)CO 34a_100011997053_100011219619 [1,1,0,0,0,0|1,0,0]=3 11695 B13R1.528 Cc1ccncc1OCC(O)CO 7a_100011997053_100011219619 [1,1,0,0,0,0|1,0,0]=3 11696 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 34a_100011997053_100000059175 [1,1,0,0,0,0|2,0,0]=4 11697 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 7a_100011997053_100000059175 [1,1,0,0,0,0|2,0,0]=4 11698 B13R1.528 Cc1ccncc1OC[C@@H](O)CF 34a_100011997053_100015614560 [1,1,0,0,0,0|2,0,0]=4 11699 B13R1.528 Cc1ccncc1OC[C@@H](O)CF 7a_100011997053_100015614560 [1,1,0,0,0,0|2,0,0]=4 11700 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 34a_100011997053_100009815848 [1,1,0,0,0,0|1,0,0]=3 11701 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 7a_100011997053_100009815848 [1,1,0,0,0,0|1,0,0]=3 11702 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100000761580_100011219619 [1,1,0,0,0,0|1,1,0]=4 11703 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100011219619_100000761580 [1,1,0,0,0,0|1,1,0]=4 11704 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100000761580_100009815848 [1,1,0,0,0,0|1,1,0]=4 11705 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000761580 [1,1,0,0,0,0|1,1,0]=4 11706 B13R1.528 Cc1cnccc1NC[C@H](O)CO 27a_100020644852_100000765111 [1,1,0,0,0,0|2,0,0]=4 11707 B13R1.528 Cc1cnccc1OCC(O)CO 34a_100000694293_100011219619 [1,1,0,0,0,0|1,0,0]=3 11708 B13R1.528 Cc1cnccc1OC[C@@H](C)CO 34a_100000694293_100000059175 [1,1,0,0,0,0|2,0,0]=4 11709 B13R1.528 Cc1cnccc1OC[C@@H](O)CF 34a_100000694293_100015614560 [1,1,0,0,0,0|2,0,0]=4 11710 B13R1.528 Cc1cnccc1OC[C@@H](O)CO 34a_100000694293_100009815848 [1,1,0,0,0,0|1,0,0]=3 11711 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100000765111_100011219619 [1,1,0,0,0,0|1,1,0]=4 11712 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100011219619_100000765111 [1,1,0,0,0,0|1,1,0]=4 11713 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100000765111_100009815848 [1,1,0,0,0,0|1,1,0]=4 11714 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000765111 [1,1,0,0,0,0|1,1,0]=4 11715 B13R1.528 Cc1ncccc1OCC(O)CO 34a_100000745507_100011219619 [1,1,0,0,0,0|1,0,0]=3 11716 B13R1.528 Cc1ncccc1OCC(O)CO 7a_100000745507_100011219619 [1,1,0,0,0,0|1,0,0]=3 11717 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 34a_100000745507_100000059175 [1,1,0,0,0,0|2,0,0]=4 11718 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 7a_100000745507_100000059175 [1,1,0,0,0,0|2,0,0]=4 11719 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 34a_100000745507_100015614560 [1,1,0,0,0,0|2,0,0]=4 11720 B13R1.528 Cc1ncccc1OC[C@@H](O)CF 7a_100000745507_100015614560 [1,1,0,0,0,0|2,0,0]=4 11721 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 34a_100000745507_100009815848 [1,1,0,0,0,0|1,0,0]=3 11722 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 7a_100000745507_100009815848 [1,1,0,0,0,0|1,0,0]=3 11723 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100000751574_100011219619 [1,1,0,0,0,0|1,1,0]=4 11724 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100011219619_100000751574 [1,1,0,0,0,0|1,1,0]=4 11725 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100000751574_100009815848 [1,1,0,0,0,0|1,1,0]=4 11726 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000751574 [1,1,0,0,0,0|1,1,0]=4 11727 B13R1.528 Cc1nccnc1OCC(O)CO 34a_100000766352_100011219619 [1,1,0,0,0,0|2,0,0]=4 11728 B13R1.528 Cc1nccnc1OC[C@@H](O)CO 34a_100000766352_100009815848 [1,1,0,0,0,0|2,0,0]=4 11729 B13R1.528 Nc1ccccc1OCC(O)CO 34a_100000185747_100011219619 [1,1,0,0,0,0|0,0,0]=2 11730 B13R1.528 Nc1ccccc1OCC(O)CO 7a_100000185747_100011219619 [1,1,0,0,0,0|0,0,0]=2 11731 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 34a_100000185747_100015614560 [1,1,0,0,0,0|1,0,0]=3 11732 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 7a_100000185747_100015614560 [1,1,0,0,0,0|1,0,0]=3 11733 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 34a_100000185747_100009815848 [1,1,0,0,0,0|0,0,0]=2 11734 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 7a_100000185747_100009815848 [1,1,0,0,0,0|0,0,0]=2 11735 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100000210017_100011219619 [1,1,0,0,0,0|0,1,0]=3 11736 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100011219619_100000210017 [1,1,0,0,0,0|0,1,0]=3 11737 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100000210017_100015614560 [1,1,0,0,0,0|1,1,0]=4 11738 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210017 [1,1,0,0,0,0|1,1,0]=4 11739 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100000210017_100009815848 [1,1,0,0,0,0|0,1,0]=3 11740 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210017 [1,1,0,0,0,0|0,1,0]=3 11741 B13R1.528 Nc1cccnc1OCC(O)CO 34a_100000746358_100011219619 [1,1,0,0,0,0|1,0,0]=3 11742 B13R1.528 Nc1cccnc1OC[C@@H](O)CF 34a_100000746358_100015614560 [1,1,0,0,0,0|2,0,0]=4 11743 B13R1.528 Nc1cccnc1OC[C@@H](O)CO 34a_100000746358_100009815848 [1,1,0,0,0,0|1,0,0]=3 11744 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100000688686_100011219619 [1,1,0,0,0,0|1,1,0]=4 11745 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100011219619_100000688686 [1,1,0,0,0,0|1,1,0]=4 11746 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100000688686_100009815848 [1,1,0,0,0,0|1,1,0]=4 11747 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000688686 [1,1,0,0,0,0|1,1,0]=4 11748 B13R1.528 Nc1ccncc1OCC(O)CO 34a_100000753702_100011219619 [1,1,0,0,0,0|1,0,0]=3 11749 B13R1.528 Nc1ccncc1OC[C@@H](O)CF 34a_100000753702_100015614560 [1,1,0,0,0,0|2,0,0]=4 11750 B13R1.528 Nc1ccncc1OC[C@@H](O)CO 34a_100000753702_100009815848 [1,1,0,0,0,0|1,0,0]=3 11751 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100000047001_100011219619 [1,1,0,0,0,0|1,1,0]=4 11752 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100011219619_100000047001 [1,1,0,0,0,0|1,1,0]=4 11753 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100000047001_100009815848 [1,1,0,0,0,0|1,1,0]=4 11754 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000047001 [1,1,0,0,0,0|1,1,0]=4 11755 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100000756074_100011219619 [1,1,0,0,0,0|1,1,0]=4 11756 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100011219619_100000756074 [1,1,0,0,0,0|1,1,0]=4 11757 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100000756074_100009815848 [1,1,0,0,0,0|1,1,0]=4 11758 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000756074 [1,1,0,0,0,0|1,1,0]=4 11759 B13R1.528 Nc1ncccc1OCC(O)CO 34a_100000211975_100011219619 [1,1,0,0,0,0|1,0,0]=3 11760 B13R1.528 Nc1ncccc1OCC(O)CO 7a_100000211975_100011219619 [1,1,0,0,0,0|1,0,0]=3 11761 B13R1.528 Nc1ncccc1OC[C@@H](O)CF 34a_100000211975_100015614560 [1,1,0,0,0,0|2,0,0]=4 11762 B13R1.528 Nc1ncccc1OC[C@@H](O)CF 7a_100000211975_100015614560 [1,1,0,0,0,0|2,0,0]=4 11763 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 34a_100000211975_100009815848 [1,1,0,0,0,0|1,0,0]=3 11764 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 7a_100000211975_100009815848 [1,1,0,0,0,0|1,0,0]=3 11765 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100000045569_100011219619 [1,1,0,0,0,0|1,1,0]=4 11766 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100011219619_100000045569 [1,1,0,0,0,0|1,1,0]=4 11767 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100000045569_100009815848 [1,1,0,0,0,0|1,1,0]=4 11768 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000045569 [1,1,0,0,0,0|1,1,0]=4 11769 B13R1.528 Nc1ncncc1OCC(O)CO 7a_100000112926_100011219619 [1,1,0,0,0,0|2,0,0]=4 11770 B13R1.528 Nc1ncncc1OC[C@@H](O)CO 7a_100000112926_100009815848 [1,1,0,0,0,0|2,0,0]=4 11771 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100009998708_100011219619 [1,1,0,0,0,0|1,1,0]=4 11772 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100011219619_100009998708 [1,1,0,0,0,0|1,1,0]=4 11773 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009815848_100009998708 [1,1,0,0,0,0|1,1,0]=4 11774 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009998708_100009815848 [1,1,0,0,0,0|1,1,0]=4 11775 B13R1.528 O=c1ccocc1OCC(O)CO 34a_100000060831_100011219619 [1,1,0,0,0,0|1,0,0]=3 11776 B13R1.528 O=c1ccocc1OC[C@@H](O)CF 34a_100000060831_100015614560 [1,1,0,0,0,0|2,0,0]=4 11777 B13R1.528 O=c1ccocc1OC[C@@H](O)CO 34a_100000060831_100009815848 [1,1,0,0,0,0|1,0,0]=3 11778 B13R1.528 O=c1occcc1OCC(O)CO 34a_100000077404_100011219619 [1,1,0,0,0,0|1,0,0]=3 11779 B13R1.528 O=c1occcc1OCC(O)CO 7a_100000077404_100011219619 [1,1,0,0,0,0|1,0,0]=3 11780 B13R1.528 O=c1occcc1OC[C@@H](O)CF 34a_100000077404_100015614560 [1,1,0,0,0,0|2,0,0]=4 11781 B13R1.528 O=c1occcc1OC[C@@H](O)CF 7a_100000077404_100015614560 [1,1,0,0,0,0|2,0,0]=4 11782 B13R1.528 O=c1occcc1OC[C@@H](O)CO 34a_100000077404_100009815848 [1,1,0,0,0,0|1,0,0]=3 11783 B13R1.528 O=c1occcc1OC[C@@H](O)CO 7a_100000077404_100009815848 [1,1,0,0,0,0|1,0,0]=3 11784 B13R1.528 OCC(O)CNc1ccccc1Br 34a_100000210017_100011219619 [1,1,0,0,0,0|1,0,0]=3 11785 B13R1.528 OCC(O)CNc1ccccc1Cl 34a_100000185783_100011219619 [1,1,0,0,0,0|1,0,0]=3 11786 B13R1.528 OCC(O)CNc1ccccc1F 34a_100000210422_100011219619 [1,1,0,0,0,0|1,0,0]=3 11787 B13R1.528 OCC(O)CNc1ccccc1I 34a_100000210053_100011219619 [1,1,0,0,0,0|1,0,0]=3 11788 B13R1.528 OCC(O)CNc1ccccc1O 34a_100000185747_100011219619 [1,1,0,0,0,0|1,0,0]=3 11789 B13R1.528 OCC(O)COc1ccccc1Br 34a_100000181306_100011219619 [1,1,0,0,0,0|0,0,0]=2 11790 B13R1.528 OCC(O)COc1ccccc1Br 7a_100000181306_100011219619 [1,1,0,0,0,0|0,0,0]=2 11791 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [1,1,0,0,0,0|0,0,0]=2 11792 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [1,1,0,0,0,0|0,0,0]=2 11793 B13R1.528 OCC(O)COc1ccccc1F 34a_100000210171_100011219619 [1,1,0,0,0,0|0,0,0]=2 11794 B13R1.528 OCC(O)COc1ccccc1F 7a_100000210171_100011219619 [1,1,0,0,0,0|0,0,0]=2 11795 B13R1.528 OCC(O)COc1ccccc1I 34a_100000739446_100011219619 [1,1,0,0,0,0|0,0,0]=2 11796 B13R1.528 OCC(O)COc1ccccc1I 7a_100000739446_100011219619 [1,1,0,0,0,0|0,0,0]=2 11797 B13R1.528 OCC(O)COc1cccnc1Br 34a_100000744436_100011219619 [1,1,0,0,0,0|1,0,0]=3 11798 B13R1.528 OCC(O)COc1cccnc1Br 7a_100000744436_100011219619 [1,1,0,0,0,0|1,0,0]=3 11799 B13R1.528 OCC(O)COc1cccnc1Cl 34a_100000757616_100011219619 [1,1,0,0,0,0|1,0,0]=3 11800 B13R1.528 OCC(O)COc1cccnc1Cl 7a_100000757616_100011219619 [1,1,0,0,0,0|1,0,0]=3 11801 B13R1.528 OCC(O)COc1cccnc1F 34a_100000061740_100011219619 [1,1,0,0,0,0|1,0,0]=3 11802 B13R1.528 OCC(O)COc1cccnc1F 7a_100000061740_100011219619 [1,1,0,0,0,0|1,0,0]=3 11803 B13R1.528 OCC(O)COc1cccnc1I 34a_100000034122_100011219619 [1,1,0,0,0,0|1,0,0]=3 11804 B13R1.528 OCC(O)COc1cccnc1I 7a_100000034122_100011219619 [1,1,0,0,0,0|1,0,0]=3 11805 B13R1.528 OCC(O)COc1ccncc1Br 34a_100011996408_100011219619 [1,1,0,0,0,0|1,0,0]=3 11806 B13R1.528 OCC(O)COc1ccncc1Cl 34a_100011997054_100011219619 [1,1,0,0,0,0|1,0,0]=3 11807 B13R1.528 OCC(O)COc1ccncc1F 34a_200000081243_100011219619 [1,1,0,0,0,0|1,0,0]=3 11808 B13R1.528 OCC(O)COc1cnccc1Cl 34a_100011996695_100011219619 [1,1,0,0,0,0|1,0,0]=3 11809 B13R1.528 OCC(O)COc1cnccc1I 34a_100000050107_100011219619 [1,1,0,0,0,0|1,0,0]=3 11810 B13R1.528 OCC(O)COc1ncccc1Cl 34a_100011290957_100011219619 [1,1,0,0,0,0|1,0,0]=3 11811 B13R1.528 OCC(O)COc1ncccc1F 34a_100011219419_100011219619 [1,1,0,0,0,0|1,0,0]=3 11812 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_100011219619_200012280681 [1,1,0,0,0,0|1,1,0]=4 11813 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011219619 [1,1,0,0,0,0|1,1,0]=4 11814 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100000695589_100011219619 [1,1,0,0,0,0|0,1,0]=3 11815 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100011219619_100000695589 [1,1,0,0,0,0|0,1,0]=3 11816 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100000764095_100011219619 [1,1,0,0,0,0|0,1,0]=3 11817 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100011219619_100000764095 [1,1,0,0,0,0|0,1,0]=3 11818 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011215700_100011219619 [1,1,0,0,0,0|0,1,0]=3 11819 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011219619_100011215700 [1,1,0,0,0,0|0,1,0]=3 11820 B13R1.528 OCC(O)CSc1ccccc1O 62a_100000739446_100011219619 [1,1,0,0,0,0|0,1,0]=3 11821 B13R1.528 OCC(O)CSc1ccccc1O 62a_100011219619_100000739446 [1,1,0,0,0,0|0,1,0]=3 11822 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100010202626_100011219619 [1,1,0,0,0,0|1,1,0]=4 11823 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100011219619_100010202626 [1,1,0,0,0,0|1,1,0]=4 11824 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100000036424_100011219619 [1,1,0,0,0,0|1,1,0]=4 11825 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100011219619_100000036424 [1,1,0,0,0,0|1,1,0]=4 11826 B13R1.528 OCC(O)CSc1cccnc1F 62a_100009816115_100011219619 [1,1,0,0,0,0|1,1,0]=4 11827 B13R1.528 OCC(O)CSc1cccnc1F 62a_100011219619_100009816115 [1,1,0,0,0,0|1,1,0]=4 11828 B13R1.528 OCC(O)CSc1cccnc1O 62a_100000760158_100011219619 [1,1,0,0,0,0|1,1,0]=4 11829 B13R1.528 OCC(O)CSc1cccnc1O 62a_100011219619_100000760158 [1,1,0,0,0,0|1,1,0]=4 11830 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100000726257_100011219619 [1,1,0,0,0,0|1,1,0]=4 11831 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100011219619_100000726257 [1,1,0,0,0,0|1,1,0]=4 11832 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100000708259_100011219619 [1,1,0,0,0,0|1,1,0]=4 11833 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100011219619_100000708259 [1,1,0,0,0,0|1,1,0]=4 11834 B13R1.528 OCC(O)CSc1ccncc1F 62a_100000047030_100011219619 [1,1,0,0,0,0|1,1,0]=4 11835 B13R1.528 OCC(O)CSc1ccncc1F 62a_100011219619_100000047030 [1,1,0,0,0,0|1,1,0]=4 11836 B13R1.528 OCC(O)CSc1ccncc1O 62a_100009817591_100011219619 [1,1,0,0,0,0|1,1,0]=4 11837 B13R1.528 OCC(O)CSc1ccncc1O 62a_100011219619_100009817591 [1,1,0,0,0,0|1,1,0]=4 11838 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100010138639_100011219619 [1,1,0,0,0,0|1,1,0]=4 11839 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100011219619_100010138639 [1,1,0,0,0,0|1,1,0]=4 11840 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100009995489_100011219619 [1,1,0,0,0,0|1,1,0]=4 11841 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100011219619_100009995489 [1,1,0,0,0,0|1,1,0]=4 11842 B13R1.528 OCC(O)CSc1cnccc1F 62a_100009820683_100011219619 [1,1,0,0,0,0|1,1,0]=4 11843 B13R1.528 OCC(O)CSc1cnccc1F 62a_100011219619_100009820683 [1,1,0,0,0,0|1,1,0]=4 11844 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100000696092_100011219619 [1,1,0,0,0,0|1,1,0]=4 11845 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100011219619_100000696092 [1,1,0,0,0,0|1,1,0]=4 11846 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011219619_100011356963 [1,1,0,0,0,0|1,1,0]=4 11847 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011356963_100011219619 [1,1,0,0,0,0|1,1,0]=4 11848 B13R1.528 OCC(O)CSc1ncccc1F 62a_100000685392_100011219619 [1,1,0,0,0,0|1,1,0]=4 11849 B13R1.528 OCC(O)CSc1ncccc1F 62a_100011219619_100000685392 [1,1,0,0,0,0|1,1,0]=4 11850 B13R1.528 OCC(O)CSc1ncccc1O 62a_100000034122_100011219619 [1,1,0,0,0,0|1,1,0]=4 11851 B13R1.528 OCC(O)CSc1ncccc1O 62a_100011219619_100000034122 [1,1,0,0,0,0|1,1,0]=4 11852 B13R1.528 OC[C@@H](O)CNc1ccncc1Br 27a_100020644852_100000726257 [1,1,0,0,0,0|2,0,0]=4 11853 B13R1.528 OC[C@@H](O)CNc1ccncc1F 27a_100020644852_100000035921 [1,1,0,0,0,0|2,0,0]=4 11854 B13R1.528 OC[C@@H](O)CNc1ncccc1Br 27a_100020644852_100000696092 [1,1,0,0,0,0|2,0,0]=4 11855 B13R1.528 OC[C@H](O)CNc1ccccc1Br 34a_100000210017_100009815848 [1,1,0,0,0,0|1,0,0]=3 11856 B13R1.528 OC[C@H](O)CNc1ccccc1Cl 34a_100000185783_100009815848 [1,1,0,0,0,0|1,0,0]=3 11857 B13R1.528 OC[C@H](O)CNc1ccccc1F 34a_100000210422_100009815848 [1,1,0,0,0,0|1,0,0]=3 11858 B13R1.528 OC[C@H](O)CNc1ccccc1I 34a_100000210053_100009815848 [1,1,0,0,0,0|1,0,0]=3 11859 B13R1.528 OC[C@H](O)CNc1ccccc1O 34a_100000185747_100009815848 [1,1,0,0,0,0|1,0,0]=3 11860 B13R1.528 OC[C@H](O)COc1ccccc1Br 34a_100000181306_100009815848 [1,1,0,0,0,0|0,0,0]=2 11861 B13R1.528 OC[C@H](O)COc1ccccc1Br 7a_100000181306_100009815848 [1,1,0,0,0,0|0,0,0]=2 11862 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [1,1,0,0,0,0|0,0,0]=2 11863 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [1,1,0,0,0,0|0,0,0]=2 11864 B13R1.528 OC[C@H](O)COc1ccccc1F 34a_100000210171_100009815848 [1,1,0,0,0,0|0,0,0]=2 11865 B13R1.528 OC[C@H](O)COc1ccccc1F 7a_100000210171_100009815848 [1,1,0,0,0,0|0,0,0]=2 11866 B13R1.528 OC[C@H](O)COc1ccccc1I 34a_100000739446_100009815848 [1,1,0,0,0,0|0,0,0]=2 11867 B13R1.528 OC[C@H](O)COc1ccccc1I 7a_100000739446_100009815848 [1,1,0,0,0,0|0,0,0]=2 11868 B13R1.528 OC[C@H](O)COc1cccnc1Br 34a_100000744436_100009815848 [1,1,0,0,0,0|1,0,0]=3 11869 B13R1.528 OC[C@H](O)COc1cccnc1Br 7a_100000744436_100009815848 [1,1,0,0,0,0|1,0,0]=3 11870 B13R1.528 OC[C@H](O)COc1cccnc1Cl 34a_100000757616_100009815848 [1,1,0,0,0,0|1,0,0]=3 11871 B13R1.528 OC[C@H](O)COc1cccnc1Cl 7a_100000757616_100009815848 [1,1,0,0,0,0|1,0,0]=3 11872 B13R1.528 OC[C@H](O)COc1cccnc1F 34a_100000061740_100009815848 [1,1,0,0,0,0|1,0,0]=3 11873 B13R1.528 OC[C@H](O)COc1cccnc1F 7a_100000061740_100009815848 [1,1,0,0,0,0|1,0,0]=3 11874 B13R1.528 OC[C@H](O)COc1cccnc1I 34a_100000034122_100009815848 [1,1,0,0,0,0|1,0,0]=3 11875 B13R1.528 OC[C@H](O)COc1cccnc1I 7a_100000034122_100009815848 [1,1,0,0,0,0|1,0,0]=3 11876 B13R1.528 OC[C@H](O)COc1ccncc1Br 34a_100011996408_100009815848 [1,1,0,0,0,0|1,0,0]=3 11877 B13R1.528 OC[C@H](O)COc1ccncc1Cl 34a_100011997054_100009815848 [1,1,0,0,0,0|1,0,0]=3 11878 B13R1.528 OC[C@H](O)COc1ccncc1F 34a_200000081243_100009815848 [1,1,0,0,0,0|1,0,0]=3 11879 B13R1.528 OC[C@H](O)COc1cnccc1Cl 34a_100011996695_100009815848 [1,1,0,0,0,0|1,0,0]=3 11880 B13R1.528 OC[C@H](O)COc1cnccc1I 34a_100000050107_100009815848 [1,1,0,0,0,0|1,0,0]=3 11881 B13R1.528 OC[C@H](O)COc1ncccc1Cl 34a_100011290957_100009815848 [1,1,0,0,0,0|1,0,0]=3 11882 B13R1.528 OC[C@H](O)COc1ncccc1F 34a_100011219419_100009815848 [1,1,0,0,0,0|1,0,0]=3 11883 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_100009815848_200012280681 [1,1,0,0,0,0|1,1,0]=4 11884 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_200012280681_100009815848 [1,1,0,0,0,0|1,1,0]=4 11885 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100000695589_100009815848 [1,1,0,0,0,0|0,1,0]=3 11886 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100009815848_100000695589 [1,1,0,0,0,0|0,1,0]=3 11887 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100000764095_100009815848 [1,1,0,0,0,0|0,1,0]=3 11888 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100009815848_100000764095 [1,1,0,0,0,0|0,1,0]=3 11889 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100009815848_100011215700 [1,1,0,0,0,0|0,1,0]=3 11890 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100011215700_100009815848 [1,1,0,0,0,0|0,1,0]=3 11891 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100000739446_100009815848 [1,1,0,0,0,0|0,1,0]=3 11892 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100009815848_100000739446 [1,1,0,0,0,0|0,1,0]=3 11893 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100009815848_100010202626 [1,1,0,0,0,0|1,1,0]=4 11894 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100010202626_100009815848 [1,1,0,0,0,0|1,1,0]=4 11895 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100000036424_100009815848 [1,1,0,0,0,0|1,1,0]=4 11896 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100009815848_100000036424 [1,1,0,0,0,0|1,1,0]=4 11897 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009815848_100009816115 [1,1,0,0,0,0|1,1,0]=4 11898 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009816115_100009815848 [1,1,0,0,0,0|1,1,0]=4 11899 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100000760158_100009815848 [1,1,0,0,0,0|1,1,0]=4 11900 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100009815848_100000760158 [1,1,0,0,0,0|1,1,0]=4 11901 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100000726257_100009815848 [1,1,0,0,0,0|1,1,0]=4 11902 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100009815848_100000726257 [1,1,0,0,0,0|1,1,0]=4 11903 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100000708259_100009815848 [1,1,0,0,0,0|1,1,0]=4 11904 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100009815848_100000708259 [1,1,0,0,0,0|1,1,0]=4 11905 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100000047030_100009815848 [1,1,0,0,0,0|1,1,0]=4 11906 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100009815848_100000047030 [1,1,0,0,0,0|1,1,0]=4 11907 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009815848_100009817591 [1,1,0,0,0,0|1,1,0]=4 11908 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009817591_100009815848 [1,1,0,0,0,0|1,1,0]=4 11909 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100009815848_100010138639 [1,1,0,0,0,0|1,1,0]=4 11910 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100010138639_100009815848 [1,1,0,0,0,0|1,1,0]=4 11911 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009815848_100009995489 [1,1,0,0,0,0|1,1,0]=4 11912 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009995489_100009815848 [1,1,0,0,0,0|1,1,0]=4 11913 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009815848_100009820683 [1,1,0,0,0,0|1,1,0]=4 11914 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009820683_100009815848 [1,1,0,0,0,0|1,1,0]=4 11915 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100000696092_100009815848 [1,1,0,0,0,0|1,1,0]=4 11916 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100009815848_100000696092 [1,1,0,0,0,0|1,1,0]=4 11917 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100009815848_100011356963 [1,1,0,0,0,0|1,1,0]=4 11918 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100011356963_100009815848 [1,1,0,0,0,0|1,1,0]=4 11919 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100000685392_100009815848 [1,1,0,0,0,0|1,1,0]=4 11920 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100009815848_100000685392 [1,1,0,0,0,0|1,1,0]=4 11921 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100000034122_100009815848 [1,1,0,0,0,0|1,1,0]=4 11922 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100009815848_100000034122 [1,1,0,0,0,0|1,1,0]=4 11923 B13R1.528 O[C@@H](CF)CNc1ccccc1Br 34a_100000210017_100015614560 [1,1,0,0,0,0|2,0,0]=4 11924 B13R1.528 O[C@@H](CF)CNc1ccccc1Cl 34a_100000185783_100015614560 [1,1,0,0,0,0|2,0,0]=4 11925 B13R1.528 O[C@@H](CF)CNc1ccccc1F 34a_100000210422_100015614560 [1,1,0,0,0,0|2,0,0]=4 11926 B13R1.528 O[C@@H](CF)CNc1ccccc1I 34a_100000210053_100015614560 [1,1,0,0,0,0|2,0,0]=4 11927 B13R1.528 O[C@@H](CF)COc1ccccc1Br 34a_100000181306_100015614560 [1,1,0,0,0,0|1,0,0]=3 11928 B13R1.528 O[C@@H](CF)COc1ccccc1Br 7a_100000181306_100015614560 [1,1,0,0,0,0|1,0,0]=3 11929 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 34a_100000210172_100015614560 [1,1,0,0,0,0|1,0,0]=3 11930 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 7a_100000210172_100015614560 [1,1,0,0,0,0|1,0,0]=3 11931 B13R1.528 O[C@@H](CF)COc1ccccc1F 34a_100000210171_100015614560 [1,1,0,0,0,0|1,0,0]=3 11932 B13R1.528 O[C@@H](CF)COc1ccccc1F 7a_100000210171_100015614560 [1,1,0,0,0,0|1,0,0]=3 11933 B13R1.528 O[C@@H](CF)COc1ccccc1I 34a_100000739446_100015614560 [1,1,0,0,0,0|1,0,0]=3 11934 B13R1.528 O[C@@H](CF)COc1ccccc1I 7a_100000739446_100015614560 [1,1,0,0,0,0|1,0,0]=3 11935 B13R1.528 O[C@@H](CF)COc1cccnc1Br 34a_100000744436_100015614560 [1,1,0,0,0,0|2,0,0]=4 11936 B13R1.528 O[C@@H](CF)COc1cccnc1Br 7a_100000744436_100015614560 [1,1,0,0,0,0|2,0,0]=4 11937 B13R1.528 O[C@@H](CF)COc1cccnc1Cl 34a_100000757616_100015614560 [1,1,0,0,0,0|2,0,0]=4 11938 B13R1.528 O[C@@H](CF)COc1cccnc1Cl 7a_100000757616_100015614560 [1,1,0,0,0,0|2,0,0]=4 11939 B13R1.528 O[C@@H](CF)COc1cccnc1F 34a_100000061740_100015614560 [1,1,0,0,0,0|2,0,0]=4 11940 B13R1.528 O[C@@H](CF)COc1cccnc1F 7a_100000061740_100015614560 [1,1,0,0,0,0|2,0,0]=4 11941 B13R1.528 O[C@@H](CF)COc1cccnc1I 34a_100000034122_100015614560 [1,1,0,0,0,0|2,0,0]=4 11942 B13R1.528 O[C@@H](CF)COc1cccnc1I 7a_100000034122_100015614560 [1,1,0,0,0,0|2,0,0]=4 11943 B13R1.528 O[C@@H](CF)COc1ccncc1Br 34a_100011996408_100015614560 [1,1,0,0,0,0|2,0,0]=4 11944 B13R1.528 O[C@@H](CF)COc1ccncc1Cl 34a_100011997054_100015614560 [1,1,0,0,0,0|2,0,0]=4 11945 B13R1.528 O[C@@H](CF)COc1ccncc1F 34a_200000081243_100015614560 [1,1,0,0,0,0|2,0,0]=4 11946 B13R1.528 O[C@@H](CF)COc1cnccc1Cl 34a_100011996695_100015614560 [1,1,0,0,0,0|2,0,0]=4 11947 B13R1.528 O[C@@H](CF)COc1cnccc1I 34a_100000050107_100015614560 [1,1,0,0,0,0|2,0,0]=4 11948 B13R1.528 O[C@@H](CF)COc1ncccc1Cl 34a_100011290957_100015614560 [1,1,0,0,0,0|2,0,0]=4 11949 B13R1.528 O[C@@H](CF)COc1ncccc1F 34a_100011219419_100015614560 [1,1,0,0,0,0|2,0,0]=4 11950 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100000695589_100015614560 [1,1,0,0,0,0|1,1,0]=4 11951 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100015614560_100000695589 [1,1,0,0,0,0|1,1,0]=4 11952 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100000764095_100015614560 [1,1,0,0,0,0|1,1,0]=4 11953 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100015614560_100000764095 [1,1,0,0,0,0|1,1,0]=4 11954 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100011215700_100015614560 [1,1,0,0,0,0|1,1,0]=4 11955 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100015614560_100011215700 [1,1,0,0,0,0|1,1,0]=4 11956 B13R1.528 Oc1ccccc1NC[C@@H](O)CF 34a_100000185747_100015614560 [1,1,0,0,0,0|2,0,0]=4 11957 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100000739446_100015614560 [1,1,0,0,0,0|1,1,0]=4 11958 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000739446 [1,1,0,0,0,0|1,1,0]=4 11959 B13R1.528 [O-][n+]1ccccc1OCC(O)CO 7a_100000211761_100011219619 [1,1,0,0,0,0|1,0,0]=3 11960 B13R1.528 [O-][n+]1ccccc1OC[C@@H](O)CF 7a_100000211761_100015614560 [1,1,0,0,0,0|2,0,0]=4 11961 B13R1.528 [O-][n+]1ccccc1OC[C@@H](O)CO 7a_100000211761_100009815848 [1,1,0,0,0,0|1,0,0]=3 11962 B13R1.528 [O-][n+]1ccccc1SCC(O)CO 62a_100011219619_200000042595 [1,1,0,0,0,0|1,1,0]=4 11963 B13R1.528 [O-][n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_200000042595 [1,1,0,0,0,0|1,1,0]=4 11964 B13R1.596 OCC(O)CSc1cc(sc1Cl)Cl 62a_100011219619_100010244177 [0,1,0,0,1,0|1,1,0]=4 11965 B13R1.596 OC[C@H](O)CSc1cc(sc1Cl)Cl 62a_100009815848_100010244177 [0,1,0,0,1,0|1,1,0]=4 11966 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 34a_100000189437_100012180447 [0,1,0,0,1,0|2,0,0]=4 11967 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 7a_100000189437_100012180447 [0,1,0,0,1,0|2,0,0]=4 11968 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 34a_100000210344_100012180447 [0,1,0,0,1,0|2,0,0]=4 11969 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 7a_100000210344_100012180447 [0,1,0,0,1,0|2,0,0]=4 11970 B13R1.5 CC(CO)Oc1ccc(cc1)CN 34a_100000185549_100012180447 [0,1,0,0,1,0|2,0,0]=4 11971 B13R1.5 CC(CO)Oc1ccc(cc1)CO 34a_100000211755_100012180447 [0,1,0,0,1,0|2,0,0]=4 11972 B13R1.5 CCc1ccc(cc1)OC(C)CO 34a_100000211359_100012180447 [0,1,0,0,1,0|2,0,0]=4 11973 B13R1.5 CCc1ccc(cc1)OC(C)CO 7a_100000211359_100012180447 [0,1,0,0,1,0|2,0,0]=4 11974 B13R1.5 CNc1ccc(cc1)OC(C)CO 34a_100000182112_100012180447 [0,1,0,0,1,0|2,0,0]=4 11975 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,1,0,0,1,0|2,0,0]=4 11976 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,1,0,0,1,0|2,0,0]=4 11977 B13R1.5 CSc1ccc(cc1)OC(C)CO 34a_100000211864_100012180447 [0,1,0,0,1,0|2,0,0]=4 11978 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,1,0,0,1,0|2,0,0]=4 11979 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,1,0,0,1,0|0,0,2]=4 11980 B13R1.21 CC(CO)N(C)c1ccc(cc1)Cl 2230a_100020629279_100012180447 [0,1,0,0,1,0|2,0,0]=4 11981 B13R1.21 CC(CO)N(C)c1ccc(cc1)Cl 34a_100020629279_100012180447 [0,1,0,0,1,0|2,0,0]=4 11982 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)Cl 269982a_100020629279_100016084084 [0,1,0,0,1,0|2,0,0]=4 11983 B13R1.145 CCC(CC)Oc1ccc(cc1)Cl 7a_100000210216_100000210505 [0,1,0,0,1,0|2,0,0]=4 11984 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200000210301 [0,1,0,0,1,0|1,0,0]=3 11985 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,1,0,0,1,0|1,0,0]=3 11986 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [0,1,0,0,1,0|2,0,0]=4 11987 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [0,1,0,0,1,0|2,0,0]=4 11988 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200025704644 [0,1,0,0,1,0|1,0,0]=3 11989 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,1,0,0,1,0|1,0,0]=3 11990 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [0,1,0,0,1,0|2,0,0]=4 11991 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [0,1,0,0,1,0|2,0,0]=4 11992 B13R1.249 CCC(C)(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210677 [0,1,0,0,1,0|2,0,0]=4 11993 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Cl 62a_100000755918_100011217949 [0,1,0,0,1,0|1,1,0]=4 11994 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Cl 62a_100011217949_100000755918 [0,1,0,0,1,0|1,1,0]=4 11995 B13R1.2679 CC(CO)Nc1ccc(cc1Br)Cl 34a_100000752454_100012180447 [0,1,0,0,1,0|2,0,0]=4 11996 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)Cl 34a_100000185861_100012180447 [0,1,0,0,1,0|2,0,0]=4 11997 B13R1.2679 CC(CO)Nc1ccc(cc1F)Cl 34a_100000211020_100012180447 [0,1,0,0,1,0|2,0,0]=4 11998 B13R1.2679 CC(CO)Nc1ccc(cc1I)Cl 34a_100000761889_100012180447 [0,1,0,0,1,0|2,0,0]=4 11999 B13R1.2679 CC(CO)Nc1ccc(cc1O)Cl 34a_100000185728_100012180447 [0,1,0,0,1,0|2,0,0]=4 12000 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 34a_100000188717_100012180447 [0,1,0,0,1,0|1,1,0]=4 12001 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 7a_100000188717_100012180447 [0,1,0,0,1,0|1,1,0]=4 12002 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 34a_100000211998_100012180447 [0,1,0,0,1,0|1,0,0]=3 12003 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 7a_100000211998_100012180447 [0,1,0,0,1,0|1,0,0]=3 12004 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 34a_100000211999_100012180447 [0,1,0,0,1,0|1,1,0]=4 12005 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 7a_100000211999_100012180447 [0,1,0,0,1,0|1,1,0]=4 12006 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 34a_100012361655_100012180447 [0,1,0,0,1,0|1,1,0]=4 12007 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 7a_100012361655_100012180447 [0,1,0,0,1,0|1,1,0]=4 12008 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 34a_100011534360_100012180447 [0,1,0,0,1,0|2,0,0]=4 12009 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 7a_100011534360_100012180447 [0,1,0,0,1,0|2,0,0]=4 12010 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 34a_100000186472_100012180447 [0,1,0,0,1,0|1,1,0]=4 12011 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 7a_100000186472_100012180447 [0,1,0,0,1,0|1,1,0]=4 12012 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 34a_100015191787_100012180447 [0,1,0,0,1,0|1,0,0]=3 12013 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 7a_100015191787_100012180447 [0,1,0,0,1,0|1,0,0]=3 12014 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 34a_100000212004_100012180447 [0,1,0,0,1,0|1,1,0]=4 12015 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 7a_100000212004_100012180447 [0,1,0,0,1,0|1,1,0]=4 12016 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 34a_100012360047_100012180447 [0,1,0,0,1,0|1,1,0]=4 12017 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 7a_100012360047_100012180447 [0,1,0,0,1,0|1,1,0]=4 12018 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 34a_100000744943_100012180447 [0,1,0,0,1,0|2,0,0]=4 12019 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 7a_100000744943_100012180447 [0,1,0,0,1,0|2,0,0]=4 12020 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 34a_100000185481_100012180447 [0,1,0,0,1,0|1,1,0]=4 12021 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 7a_100000185481_100012180447 [0,1,0,0,1,0|1,1,0]=4 12022 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 34a_100000230166_100012180447 [0,1,0,0,1,0|1,0,0]=3 12023 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 7a_100000230166_100012180447 [0,1,0,0,1,0|1,0,0]=3 12024 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 34a_100000230127_100012180447 [0,1,0,0,1,0|1,1,0]=4 12025 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 7a_100000230127_100012180447 [0,1,0,0,1,0|1,1,0]=4 12026 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 34a_100011356965_100012180447 [0,1,0,0,1,0|1,1,0]=4 12027 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 7a_100011356965_100012180447 [0,1,0,0,1,0|1,1,0]=4 12028 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 34a_100011220035_100012180447 [0,1,0,0,1,0|2,0,0]=4 12029 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 7a_100011220035_100012180447 [0,1,0,0,1,0|2,0,0]=4 12030 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 34a_100012355227_100012180447 [0,1,0,0,1,0|1,1,0]=4 12031 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 7a_100012355227_100012180447 [0,1,0,0,1,0|1,1,0]=4 12032 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 34a_100011356953_100012180447 [0,1,0,0,1,0|1,0,0]=3 12033 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 7a_100011356953_100012180447 [0,1,0,0,1,0|1,0,0]=3 12034 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 34a_100012355409_100012180447 [0,1,0,0,1,0|1,1,0]=4 12035 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 7a_100012355409_100012180447 [0,1,0,0,1,0|1,1,0]=4 12036 B13R1.2679 CC(CO)Oc1ccc(cc1I)I 7a_100010001573_100012180447 [0,1,0,0,1,0|1,1,0]=4 12037 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 34a_100000752626_100012180447 [0,1,0,0,1,0|1,1,0]=4 12038 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 7a_100000752626_100012180447 [0,1,0,0,1,0|1,1,0]=4 12039 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 34a_100000210500_100012180447 [0,1,0,0,1,0|1,0,0]=3 12040 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 7a_100000210500_100012180447 [0,1,0,0,1,0|1,0,0]=3 12041 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 34a_100000759472_100012180447 [0,1,0,0,1,0|1,1,0]=4 12042 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 7a_100000759472_100012180447 [0,1,0,0,1,0|1,1,0]=4 12043 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 34a_100000753495_100012180447 [0,1,0,0,1,0|1,1,0]=4 12044 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 7a_100000753495_100012180447 [0,1,0,0,1,0|1,1,0]=4 12045 B13R1.2679 CC(CO)Oc1ccc(cc1N)N 34a_100000725306_100012180447 [0,1,0,0,1,0|2,0,0]=4 12046 B13R1.2679 CC(CO)Oc1ccc(nc1Br)Cl 34a_100010219353_100012180447 [0,1,0,0,1,0|2,0,0]=4 12047 B13R1.2679 CC(CO)Oc1ccc(nc1Br)Cl 7a_100010219353_100012180447 [0,1,0,0,1,0|2,0,0]=4 12048 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)Cl 34a_100000101165_100012180447 [0,1,0,0,1,0|2,0,0]=4 12049 B13R1.2679 CC(CO)Oc1ccc(nc1Cl)Cl 7a_100000101165_100012180447 [0,1,0,0,1,0|2,0,0]=4 12050 B13R1.2679 CC(CO)Oc1ccc(nc1F)Cl 34a_100009880201_100012180447 [0,1,0,0,1,0|2,0,0]=4 12051 B13R1.2679 CC(CO)Oc1ccc(nc1F)Cl 7a_100009880201_100012180447 [0,1,0,0,1,0|2,0,0]=4 12052 B13R1.2679 CC(CO)Oc1ccc(nc1I)Cl 34a_100000696390_100012180447 [0,1,0,0,1,0|2,0,0]=4 12053 B13R1.2679 CC(CO)Oc1ccc(nc1I)Cl 7a_100000696390_100012180447 [0,1,0,0,1,0|2,0,0]=4 12054 B13R1.2679 CC(CO)Oc1ccc(nc1N)Cl 34a_100000717809_100012180447 [0,1,0,0,1,0|2,0,0]=4 12055 B13R1.2679 CC(CO)Oc1ccc(nc1N)Cl 7a_100000717809_100012180447 [0,1,0,0,1,0|2,0,0]=4 12056 B13R1.2679 CC(CO)Oc1cnc(cc1Cl)Cl 34a_100009868576_100012180447 [0,1,0,0,1,0|2,0,0]=4 12057 B13R1.2679 CC(CO)Oc1cnc(cc1Cl)Cl 7a_100009868576_100012180447 [0,1,0,0,1,0|2,0,0]=4 12058 B13R1.2679 CC(CO)Oc1cnc(cc1I)Cl 34a_100000698892_100012180447 [0,1,0,0,1,0|2,0,0]=4 12059 B13R1.2679 CC(CO)Oc1cnc(cc1I)Cl 7a_100000698892_100012180447 [0,1,0,0,1,0|2,0,0]=4 12060 B13R1.2679 CC(CO)Oc1ncc(cc1F)Cl 34a_100011998252_100012180447 [0,1,0,0,1,0|2,0,0]=4 12061 B13R1.2679 CC(CO)Oc1ncc(cc1N)Cl 34a_100011998249_100012180447 [0,1,0,0,1,0|2,0,0]=4 12062 B13R1.2679 CC(CO)Sc1ccc(cc1Br)Cl 62a_100012180447_100011219703 [0,1,0,0,1,0|1,1,0]=4 12063 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)Cl 62a_100012180447_100000699841 [0,1,0,0,1,0|1,1,0]=4 12064 B13R1.2679 CC(CO)Sc1ccc(cc1F)Cl 62a_100012180447_100011216042 [0,1,0,0,1,0|1,1,0]=4 12065 B13R1.2679 CC(CO)Sc1ccc(cc1N)Cl 62a_100012180447_100000761886 [0,1,0,0,1,0|1,1,0]=4 12066 B13R1.2679 CC(CO)Sc1ccc(cc1O)Cl 62a_100012180447_100000050036 [0,1,0,0,1,0|1,1,0]=4 12067 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100011215416 [0,1,0,0,1,0|2,0,0]=4 12068 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000758301 [0,1,0,0,1,0|2,0,0]=4 12069 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 34a_100000211091_100011215416 [0,1,0,0,1,0|2,0,0]=4 12070 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 7a_100000211091_100000758301 [0,1,0,0,1,0|2,0,0]=4 12071 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100011215416 [0,1,0,0,1,0|2,0,0]=4 12072 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000758301 [0,1,0,0,1,0|2,0,0]=4 12073 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100011215416 [0,1,0,0,1,0|2,0,0]=4 12074 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000758301 [0,1,0,0,1,0|2,0,0]=4 12075 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100011215416 [0,1,0,0,1,0|2,0,0]=4 12076 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000758301 [0,1,0,0,1,0|2,0,0]=4 12077 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100011215416 [0,1,0,0,1,0|2,0,0]=4 12078 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000758301 [0,1,0,0,1,0|2,0,0]=4 12079 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100011219703_100016084084 [0,1,0,0,1,0|1,1,0]=4 12080 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100016084084_100011219703 [0,1,0,0,1,0|1,1,0]=4 12081 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100000699841_100016084084 [0,1,0,0,1,0|1,1,0]=4 12082 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100016084084_100000699841 [0,1,0,0,1,0|1,1,0]=4 12083 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100011216042_100016084084 [0,1,0,0,1,0|1,1,0]=4 12084 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100016084084_100011216042 [0,1,0,0,1,0|1,1,0]=4 12085 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100000761886_100016084084 [0,1,0,0,1,0|1,1,0]=4 12086 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100016084084_100000761886 [0,1,0,0,1,0|1,1,0]=4 12087 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100000050036_100016084084 [0,1,0,0,1,0|1,1,0]=4 12088 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100016084084_100000050036 [0,1,0,0,1,0|1,1,0]=4 12089 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,1,0,0,1,0|0,0,2]=4 12090 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 34a_100000210418_100012180447 [0,1,0,0,1,0|2,0,0]=4 12091 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 7a_100000210418_100012180447 [0,1,0,0,1,0|2,0,0]=4 12092 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 34a_100000186361_100012180447 [0,1,0,0,1,0|1,1,0]=4 12093 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 7a_100000186361_100012180447 [0,1,0,0,1,0|1,1,0]=4 12094 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 34a_100000211091_100012180447 [0,1,0,0,1,0|1,0,0]=3 12095 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 7a_100000211091_100012180447 [0,1,0,0,1,0|1,0,0]=3 12096 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 34a_100000764316_100012180447 [0,1,0,0,1,0|1,1,0]=4 12097 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 7a_100000764316_100012180447 [0,1,0,0,1,0|1,1,0]=4 12098 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 34a_100011218673_100012180447 [0,1,0,0,1,0|1,1,0]=4 12099 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 7a_100011218673_100012180447 [0,1,0,0,1,0|1,1,0]=4 12100 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 34a_100011218179_100012180447 [0,1,0,0,1,0|2,0,0]=4 12101 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 7a_100011218179_100012180447 [0,1,0,0,1,0|2,0,0]=4 12102 B13R1.2679 Cc1cc(ccc1SC(C)CO)Cl 62a_100012180447_100011219607 [0,1,0,0,1,0|1,1,0]=4 12103 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100011219607_100016084084 [0,1,0,0,1,0|1,1,0]=4 12104 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100011219607 [0,1,0,0,1,0|1,1,0]=4 12105 B13R1.2679 Cc1cc(ncc1OC(C)CO)Cl 34a_100000692680_100012180447 [0,1,0,0,1,0|2,0,0]=4 12106 B13R1.2679 Cc1cc(ncc1OC(C)CO)Cl 7a_100000692680_100012180447 [0,1,0,0,1,0|2,0,0]=4 12107 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 34a_100000210800_100012180447 [0,1,0,0,1,0|2,0,0]=4 12108 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 7a_100000210800_100012180447 [0,1,0,0,1,0|2,0,0]=4 12109 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 34a_100000211776_100012180447 [0,1,0,0,1,0|2,0,0]=4 12110 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 7a_100000211776_100012180447 [0,1,0,0,1,0|2,0,0]=4 12111 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 34a_100000749699_100012180447 [0,1,0,0,1,0|2,0,0]=4 12112 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 7a_100000749699_100012180447 [0,1,0,0,1,0|2,0,0]=4 12113 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 34a_100011216688_100012180447 [0,1,0,0,1,0|2,0,0]=4 12114 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 7a_100011216688_100012180447 [0,1,0,0,1,0|2,0,0]=4 12115 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 34a_100000765521_100012180447 [0,1,0,0,1,0|2,0,0]=4 12116 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 7a_100000765521_100012180447 [0,1,0,0,1,0|2,0,0]=4 12117 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 34a_100011215204_100012180447 [0,1,0,0,1,0|2,0,0]=4 12118 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 7a_100011215204_100012180447 [0,1,0,0,1,0|2,0,0]=4 12119 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 34a_100012184626_100012180447 [0,1,0,0,1,0|2,0,0]=4 12120 B13R1.2679 Cc1nc(ccc1OC(C)CO)Cl 7a_100012184626_100012180447 [0,1,0,0,1,0|2,0,0]=4 12121 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,1,0,0,1,0|0,0,2]=4 12122 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,1,0,0,1,0|0,0,2]=4 12123 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,1,0,0,1,0|0,0,2]=4 12124 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,1,0,0,1,0|0,0,2]=4 12125 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Cl 2230a_100000686031_100012180447 [0,1,0,0,1,0|2,0,0]=4 12126 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Cl 34a_100000686031_100012180447 [0,1,0,0,1,0|2,0,0]=4 12127 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_100012180447 [0,1,0,0,1,0|2,0,0]=4 12128 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Cl 34a_100000184108_100012180447 [0,1,0,0,1,0|2,0,0]=4 12129 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 2230a_100000739366_100012180447 [0,1,0,0,1,0|2,0,0]=4 12130 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 34a_100000739366_100012180447 [0,1,0,0,1,0|2,0,0]=4 12131 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 7a_100000739366_100012180447 [0,1,0,0,1,0|2,0,0]=4 12132 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)Cl 34a_100012360549_100012180447 [0,1,0,0,1,0|2,0,0]=4 12133 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)Cl 34a_100011934209_100012180447 [0,1,0,0,1,0|2,0,0]=4 12134 B13R1.2879 CC(CO)Oc1cc(c(cn1)Cl)Cl 34a_200000099200_100012180447 [0,1,0,0,1,0|2,0,0]=4 12135 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100012180447 [0,1,0,0,1,0|1,0,0]=3 12136 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100012180447 [0,1,0,0,1,0|1,0,0]=3 12137 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)F 34a_100000693481_100012180447 [0,1,0,0,1,0|1,1,0]=4 12138 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)F 7a_100000693481_100012180447 [0,1,0,0,1,0|1,1,0]=4 12139 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)I 34a_100000701344_100012180447 [0,1,0,0,1,0|1,1,0]=4 12140 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)I 7a_100000701344_100012180447 [0,1,0,0,1,0|1,1,0]=4 12141 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)N 34a_100012001276_100012180447 [0,1,0,0,1,0|2,0,0]=4 12142 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)N 7a_100012001276_100012180447 [0,1,0,0,1,0|2,0,0]=4 12143 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Br 34a_100011215161_100012180447 [0,1,0,0,1,0|1,1,0]=4 12144 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100012180447 [0,1,0,0,1,0|1,1,0]=4 12145 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100012180447 [0,1,0,0,1,0|1,0,0]=3 12146 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100012180447 [0,1,0,0,1,0|1,0,0]=3 12147 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)F 34a_100000211030_100012180447 [0,1,0,0,1,0|1,1,0]=4 12148 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)F 7a_100000211030_100012180447 [0,1,0,0,1,0|1,1,0]=4 12149 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)I 34a_100000047559_100012180447 [0,1,0,0,1,0|1,1,0]=4 12150 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)I 7a_100000047559_100012180447 [0,1,0,0,1,0|1,1,0]=4 12151 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)N 34a_100011215599_100012180447 [0,1,0,0,1,0|2,0,0]=4 12152 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)N 7a_100011215599_100012180447 [0,1,0,0,1,0|2,0,0]=4 12153 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Br 34a_100000755031_100012180447 [0,1,0,0,1,0|1,1,0]=4 12154 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Br 7a_100000755031_100012180447 [0,1,0,0,1,0|1,1,0]=4 12155 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Cl 34a_100000691581_100012180447 [0,1,0,0,1,0|1,0,0]=3 12156 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Cl 7a_100000691581_100012180447 [0,1,0,0,1,0|1,0,0]=3 12157 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)F 34a_100000181275_100012180447 [0,1,0,0,1,0|1,1,0]=4 12158 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)F 7a_100000181275_100012180447 [0,1,0,0,1,0|1,1,0]=4 12159 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)I 34a_100009990212_100012180447 [0,1,0,0,1,0|1,1,0]=4 12160 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)I 7a_100009990212_100012180447 [0,1,0,0,1,0|1,1,0]=4 12161 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)N 34a_100000759473_100012180447 [0,1,0,0,1,0|2,0,0]=4 12162 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)N 7a_100000759473_100012180447 [0,1,0,0,1,0|2,0,0]=4 12163 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Br 34a_100012339312_100012180447 [0,1,0,0,1,0|1,1,0]=4 12164 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Br 7a_100012339312_100012180447 [0,1,0,0,1,0|1,1,0]=4 12165 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Cl 34a_100000049588_100012180447 [0,1,0,0,1,0|1,0,0]=3 12166 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Cl 7a_100000049588_100012180447 [0,1,0,0,1,0|1,0,0]=3 12167 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)N 34a_100010084370_100012180447 [0,1,0,0,1,0|2,0,0]=4 12168 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)N 7a_100010084370_100012180447 [0,1,0,0,1,0|2,0,0]=4 12169 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Br 34a_100011999798_100012180447 [0,1,0,0,1,0|1,1,0]=4 12170 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Br 7a_100011999798_100012180447 [0,1,0,0,1,0|1,1,0]=4 12171 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Cl 34a_100011934297_100012180447 [0,1,0,0,1,0|1,0,0]=3 12172 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)F 34a_100012017239_100012180447 [0,1,0,0,1,0|1,1,0]=4 12173 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)F 7a_100012017239_100012180447 [0,1,0,0,1,0|1,1,0]=4 12174 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)N 34a_100025771000_100012180447 [0,1,0,0,1,0|2,0,0]=4 12175 B13R1.2879 CC(CO)Oc1cnc(c(c1)Br)Cl 34a_100012356455_100012180447 [0,1,0,0,1,0|2,0,0]=4 12176 B13R1.2879 CC(CO)Oc1cnc(c(c1)Br)Cl 7a_100012356455_100012180447 [0,1,0,0,1,0|2,0,0]=4 12177 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)Cl 34a_100000094354_100012180447 [0,1,0,0,1,0|2,0,0]=4 12178 B13R1.2879 CC(CO)Oc1cnc(c(c1)Cl)Cl 7a_100000094354_100012180447 [0,1,0,0,1,0|2,0,0]=4 12179 B13R1.2879 CC(CO)Oc1cnc(c(c1)F)Cl 34a_100000063512_100012180447 [0,1,0,0,1,0|2,0,0]=4 12180 B13R1.2879 CC(CO)Oc1cnc(c(c1)F)Cl 7a_100000063512_100012180447 [0,1,0,0,1,0|2,0,0]=4 12181 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)Cl 62a_100012180447_100012353702 [0,1,0,0,1,0|1,1,0]=4 12182 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)Cl 62a_100012180447_100011214914 [0,1,0,0,1,0|1,1,0]=4 12183 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)Cl 62a_100012180447_100011216805 [0,1,0,0,1,0|1,1,0]=4 12184 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)Cl 62a_100012180447_200000761891 [0,1,0,0,1,0|1,1,0]=4 12185 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)Cl 62a_100012180447_100011356854 [0,1,0,0,1,0|1,1,0]=4 12186 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100011215416 [0,1,0,0,1,0|2,0,0]=4 12187 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100000758301 [0,1,0,0,1,0|2,0,0]=4 12188 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Cl 34a_100000211092_100011215416 [0,1,0,0,1,0|2,0,0]=4 12189 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Cl 7a_100000211092_100000758301 [0,1,0,0,1,0|2,0,0]=4 12190 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100011215416 [0,1,0,0,1,0|2,0,0]=4 12191 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100000758301 [0,1,0,0,1,0|2,0,0]=4 12192 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Cl 34a_100000691581_100011215416 [0,1,0,0,1,0|2,0,0]=4 12193 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Cl 7a_100000691581_100000758301 [0,1,0,0,1,0|2,0,0]=4 12194 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Cl 34a_100000049588_100011215416 [0,1,0,0,1,0|2,0,0]=4 12195 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000758301 [0,1,0,0,1,0|2,0,0]=4 12196 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)Cl 34a_100011934297_100011215416 [0,1,0,0,1,0|2,0,0]=4 12197 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100016084084 [0,1,0,0,1,0|1,1,0]=4 12198 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Cl 62a_100016084084_100012353702 [0,1,0,0,1,0|1,1,0]=4 12199 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100016084084 [0,1,0,0,1,0|1,1,0]=4 12200 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Cl 62a_100016084084_100011214914 [0,1,0,0,1,0|1,1,0]=4 12201 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Cl 62a_100011216805_100016084084 [0,1,0,0,1,0|1,1,0]=4 12202 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Cl 62a_100016084084_100011216805 [0,1,0,0,1,0|1,1,0]=4 12203 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Cl 62a_100016084084_200000761891 [0,1,0,0,1,0|1,1,0]=4 12204 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Cl 62a_200000761891_100016084084 [0,1,0,0,1,0|1,1,0]=4 12205 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Cl 62a_100011356854_100016084084 [0,1,0,0,1,0|1,1,0]=4 12206 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Cl 62a_100016084084_100011356854 [0,1,0,0,1,0|1,1,0]=4 12207 B13R1.2879 Cc1cc(ccc1Br)OC(C)CO 34a_100000690111_100012180447 [0,1,0,0,1,0|1,1,0]=4 12208 B13R1.2879 Cc1cc(ccc1Br)OC(C)CO 7a_100000690111_100012180447 [0,1,0,0,1,0|1,1,0]=4 12209 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,1,0,0,1,0|0,0,2]=4 12210 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 2230a_100000187808_100012180447 [0,1,0,0,1,0|2,0,0]=4 12211 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 34a_100000187808_100012180447 [0,1,0,0,1,0|2,0,0]=4 12212 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 7a_100000187808_100012180447 [0,1,0,0,1,0|2,0,0]=4 12213 B13R1.2879 Cc1cc(ccc1Cl)OC(C)CO 34a_100000211092_100012180447 [0,1,0,0,1,0|1,0,0]=3 12214 B13R1.2879 Cc1cc(ccc1Cl)OC(C)CO 7a_100000211092_100012180447 [0,1,0,0,1,0|1,0,0]=3 12215 B13R1.2879 Cc1cc(ccc1Cl)SC(C)CO 62a_100012180447_100000049509 [0,1,0,0,1,0|1,1,0]=4 12216 B13R1.2879 Cc1cc(ccc1Cl)S[C@H](C)CO 62a_100000049509_100016084084 [0,1,0,0,1,0|1,1,0]=4 12217 B13R1.2879 Cc1cc(ccc1Cl)S[C@H](C)CO 62a_100016084084_100000049509 [0,1,0,0,1,0|1,1,0]=4 12218 B13R1.2879 Cc1cc(ccc1F)OC(C)CO 34a_100000751312_100012180447 [0,1,0,0,1,0|1,1,0]=4 12219 B13R1.2879 Cc1cc(ccc1F)OC(C)CO 7a_100000751312_100012180447 [0,1,0,0,1,0|1,1,0]=4 12220 B13R1.2879 Cc1cc(ccc1I)OC(C)CO 34a_100000729255_100012180447 [0,1,0,0,1,0|1,1,0]=4 12221 B13R1.2879 Cc1cc(ccc1I)OC(C)CO 7a_100000729255_100012180447 [0,1,0,0,1,0|1,1,0]=4 12222 B13R1.2879 Cc1cc(ccc1N)OC(C)CO 34a_100000756630_100012180447 [0,1,0,0,1,0|2,0,0]=4 12223 B13R1.2879 Cc1cc(ccc1N)OC(C)CO 7a_100000756630_100012180447 [0,1,0,0,1,0|2,0,0]=4 12224 B13R1.2879 Cc1cc(cnc1Cl)OC(C)CO 34a_100012002680_100012180447 [0,1,0,0,1,0|2,0,0]=4 12225 B13R1.2879 Cc1cc(cnc1Cl)OC(C)CO 7a_100012002680_100012180447 [0,1,0,0,1,0|2,0,0]=4 12226 B13R1.2879 Cc1cc(ncc1Cl)OC(C)CO 34a_200000085746_100012180447 [0,1,0,0,1,0|2,0,0]=4 12227 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 34a_100011380479_100012180447 [0,1,0,0,1,0|2,0,0]=4 12228 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 7a_100011380479_100012180447 [0,1,0,0,1,0|2,0,0]=4 12229 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 34a_100000210932_100012180447 [0,1,0,0,1,0|2,0,0]=4 12230 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 7a_100000210932_100012180447 [0,1,0,0,1,0|2,0,0]=4 12231 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 34a_100011265682_100012180447 [0,1,0,0,1,0|2,0,0]=4 12232 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 7a_100011265682_100012180447 [0,1,0,0,1,0|2,0,0]=4 12233 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 34a_100000722560_100012180447 [0,1,0,0,1,0|2,0,0]=4 12234 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 7a_100000722560_100012180447 [0,1,0,0,1,0|2,0,0]=4 12235 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 34a_100011216113_100012180447 [0,1,0,0,1,0|2,0,0]=4 12236 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 7a_100011216113_100012180447 [0,1,0,0,1,0|2,0,0]=4 12237 B13R1.2879 Cc1nc(ccc1Cl)OC(C)CO 34a_200009863735_100012180447 [0,1,0,0,1,0|2,0,0]=4 12238 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,1,0,0,1,0|0,0,2]=4 12239 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,1,0,0,1,0|0,0,2]=4 12240 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,1,0,0,1,0|0,0,2]=4 12241 B15R1.8 CC(C)(CCl)COCc1ccc(cc1)Cl 7a_100011217199_100000187161 [0,1,0,0,0,1|2,0,0]=4 12242 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 207a_100020635058_100000189385 [0,1,0,0,0,1|2,0,0]=4 12243 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 2230a_100020635058_100000694040 [0,1,0,0,0,1|2,0,0]=4 12244 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 270004a_100020635058_100000189385 [0,1,0,0,0,1|2,0,0]=4 12245 B15R1.8 CC(C)(CO)CNCc1ccc(cc1)Cl 34a_100000174871_100009813988 [0,1,0,0,0,1|2,0,0]=4 12246 B15R1.8 CC(C)(CO)COCc1ccc(cc1)Br 34a_100000695286_100009813988 [0,1,0,0,0,1|1,1,0]=4 12247 B15R1.8 CC(C)(CO)COCc1ccc(cc1)Cl 34a_100000211118_100009813988 [0,1,0,0,0,1|1,0,0]=3 12248 B15R1.8 CC(C)(CO)COCc1ccc(cc1)Cl 7a_100000211118_100009813988 [0,1,0,0,0,1|1,0,0]=3 12249 B15R1.8 CC(C)(CO)COCc1ccc(cc1)F 34a_100000210977_100009813988 [0,1,0,0,0,1|1,1,0]=4 12250 B15R1.8 CC(C)(CO)COCc1ccc(cc1)F 7a_100000210977_100009813988 [0,1,0,0,0,1|1,1,0]=4 12251 B15R1.8 CC(C)(CO)COCc1ccc(cc1)I 34a_100000690907_100009813988 [0,1,0,0,0,1|1,1,0]=4 12252 B15R1.8 CC(C)(CO)COCc1ccc(cc1)I 7a_100000690907_100009813988 [0,1,0,0,0,1|1,1,0]=4 12253 B15R1.8 CC(C)(CO)COCc1ccc(cc1)N 34a_100011215238_100009813988 [0,1,0,0,0,1|2,0,0]=4 12254 B15R1.8 CC(C)(CO)COCc1ccc(cn1)Cl 34a_100000703999_100009813988 [0,1,0,0,0,1|2,0,0]=4 12255 B15R1.8 CC(C)(CO)COCc1ccc(nc1)Cl 34a_100000755211_100009813988 [0,1,0,0,0,1|2,0,0]=4 12256 B15R1.8 CC(C)(CO)COCc1ccc(nc1)Cl 7a_100000755211_100009813988 [0,1,0,0,0,1|2,0,0]=4 12257 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)Cl 62a_100000187161_100009813988 [0,1,0,0,0,1|1,1,0]=4 12258 B15R1.8 CC(C)(CO)CSCc1ccc(cc1)Cl 62a_100009813988_100000187161 [0,1,0,0,0,1|1,1,0]=4 12259 B15R1.8 CC(C)(CO)NCCc1ccc(cc1)Cl 2230a_100000210608_100011713675 [0,1,0,0,0,1|2,0,0]=4 12260 B15R1.8 CCC(C)(C)COCc1ccc(cc1)Cl 7a_100000765029_100000187161 [0,1,0,0,0,1|2,0,0]=4 12261 B15R1.8 Cc1ccc(cc1)COCC(C)(C)CO 34a_100011215236_100009813988 [0,1,0,0,0,1|2,0,0]=4 12262 B15R1.8 Cc1ccc(cc1)COCC(C)(C)CO 7a_100011215236_100009813988 [0,1,0,0,0,1|2,0,0]=4 12263 B15R1.8 NCC(F)(F)COCc1ccc(cc1)Cl 34a_100000703232_100000694040 [0,1,0,0,0,1|2,0,0]=4 12264 B15R1.8 OCC(F)(F)CNCc1ccc(cc1)Cl 207a_100000703232_100000189385 [0,1,0,0,0,1|2,0,0]=4 12265 B15R1.8 OCC(F)(F)SCCc1ccc(cc1)Cl 62a_100011217949_100011713675 [0,1,0,0,0,1|2,0,0]=4 12266 B15R1.8 OCC(F)(F)SCCc1ccc(cc1)Cl 62a_100011713675_100011217949 [0,1,0,0,0,1|2,0,0]=4 12267 B15R1.9 C=C[C@@H](CO)NCCc1ccc(cc1)Cl 2230a_100016989147_100011713675 [0,1,0,0,0,1|2,0,0]=4 12268 B15R1.9 C=C[C@@H](CO)NCCc1ccc(cc1)Cl 34a_100016989147_100011713675 [0,1,0,0,0,1|2,0,0]=4 12269 B15R1.9 CCC(CC)COCc1ccc(cc1)Cl 34a_100000211118_100011215472 [0,1,0,0,0,1|2,0,0]=4 12270 B15R1.9 CCC(CC)COCc1ccc(cc1)Cl 7a_100000211118_100011215472 [0,1,0,0,0,1|2,0,0]=4 12271 B15R1.9 CCC(CC)COCc1ccc(cc1)Cl 7a_100000703878_100000187161 [0,1,0,0,0,1|2,0,0]=4 12272 B15R1.9 CCC(CNCc1ccc(cc1)Cl)OC 207a_100000731041_100000189385 [0,1,0,0,0,1|2,0,0]=4 12273 B15R1.9 CCC(CNCc1ccc(cc1)Cl)OC 270004a_100000731041_100000189385 [0,1,0,0,0,1|2,0,0]=4 12274 B15R1.9 CCC(COCc1ccc(cc1)Br)OC 34a_100011934954_100000189115 [0,1,0,0,0,1|1,1,0]=4 12275 B15R1.9 CCC(COCc1ccc(cc1)Br)OC 7a_100011934954_100011217064 [0,1,0,0,0,1|1,1,0]=4 12276 B15R1.9 CCC(COCc1ccc(cc1)C)OC 34a_100011934954_100000210814 [0,1,0,0,0,1|2,0,0]=4 12277 B15R1.9 CCC(COCc1ccc(cc1)C)OC 7a_100011934954_100000210814 [0,1,0,0,0,1|2,0,0]=4 12278 B15R1.9 CCC(COCc1ccc(cc1)Cl)OC 34a_100011934954_100000694040 [0,1,0,0,0,1|1,0,0]=3 12279 B15R1.9 CCC(COCc1ccc(cc1)Cl)OC 7a_100011934954_100000187161 [0,1,0,0,0,1|1,0,0]=3 12280 B15R1.9 CCC(COCc1ccc(cc1)F)OC 34a_100011934954_100000198546 [0,1,0,0,0,1|1,1,0]=4 12281 B15R1.9 CCC(COCc1ccc(cc1)F)OC 7a_100011934954_100000198546 [0,1,0,0,0,1|1,1,0]=4 12282 B15R1.9 CCC(COCc1ccc(cc1)I)OC 34a_100011934954_100000189116 [0,1,0,0,0,1|1,1,0]=4 12283 B15R1.9 CCC(COCc1ccc(cc1)I)OC 7a_100011934954_100000189116 [0,1,0,0,0,1|1,1,0]=4 12284 B15R1.9 CCC(COCc1ccc(cn1)Cl)OC 34a_100011934954_100012066911 [0,1,0,0,0,1|2,0,0]=4 12285 B15R1.9 CCC(COCc1ccc(cn1)Cl)OC 7a_100011934954_100012066911 [0,1,0,0,0,1|2,0,0]=4 12286 B15R1.9 CCC(COCc1ccc(nc1)Cl)OC 34a_100011934954_100000735431 [0,1,0,0,0,1|2,0,0]=4 12287 B15R1.9 CCC(COCc1ccc(nc1)Cl)OC 7a_100011934954_100000735431 [0,1,0,0,0,1|2,0,0]=4 12288 B15R1.9 CC[C@@H](CO)NCCc1ccc(cc1)Cl 2230a_100000709445_100011713675 [0,1,0,0,0,1|2,0,0]=4 12289 B15R1.9 COC(CCOc1ccc(cc1)Cl)OC 34a_100000210216_100000139399 [0,1,0,0,0,1|2,0,0]=4 12290 B15R1.9 COC(CCOc1ccc(cc1)Cl)OC 7a_100000210216_100009813347 [0,1,0,0,0,1|2,0,0]=4 12291 B15R1.9 COC(COCc1ccc(cc1)Cl)OC 34a_100000211118_100000211822 [0,1,0,0,0,1|2,0,0]=4 12292 B15R1.9 COC(COCc1ccc(cc1)Cl)OC 34a_100011216393_100000694040 [0,1,0,0,0,1|2,0,0]=4 12293 B15R1.9 COC(COCc1ccc(cc1)Cl)OC 7a_100000211118_100000751394 [0,1,0,0,0,1|2,0,0]=4 12294 B15R1.9 Cc1ccc(cc1)CCNC(CO)CO 2230a_100000759517_100011713686 [0,1,0,0,0,1|2,0,0]=4 12295 B15R1.9 OCC(CO)NCCc1ccc(cc1)Br 2230a_100000759517_100011740612 [0,1,0,0,0,1|1,1,0]=4 12296 B15R1.9 OCC(CO)NCCc1ccc(cc1)Cl 2230a_100000759517_100011713675 [0,1,0,0,0,1|1,0,0]=3 12297 B15R1.9 OCC(CO)NCCc1ccc(cc1)F 2230a_100000759517_100011217392 [0,1,0,0,0,1|1,1,0]=4 12298 B15R1.9 OCC(CO)NCCc1ccc(cc1)O 2230a_100000759517_100009816426 [0,1,0,0,0,1|2,0,0]=4 12299 B15R1.11 C=CCC(C)COCc1ccc(cc1)Cl 34a_100009832082_100000694040 [0,1,0,0,0,1|2,0,0]=4 12300 B15R1.11 C=CCC(C)COCc1ccc(cc1)Cl 7a_100009832082_100000187161 [0,1,0,0,0,1|2,0,0]=4 12301 B15R1.11 C=CC[C@@H](N)COCc1ccc(cc1)Cl 34a_100020615467_100000694040 [0,1,0,0,0,1|2,0,0]=4 12302 B15R1.11 CC(CCN)COCc1ccc(cc1)Cl 34a_106354213184_100000694040 [0,1,0,0,0,1|2,0,0]=4 12303 B15R1.11 CC(CCO)NCCc1ccc(cc1)Cl 2230a_100000185265_100009893172 [0,1,0,0,0,1|2,0,0]=4 12304 B15R1.11 CC(CCO)NCCc1ccc(cc1)Cl 34a_100000185265_100009893172 [0,1,0,0,0,1|2,0,0]=4 12305 B15R1.11 CC(CCO)OCCc1ccc(cc1)Cl 34a_100011219627_100009893172 [0,1,0,0,0,1|2,0,0]=4 12306 B15R1.11 CC(CCO)OCCc1ccc(cc1)Cl 7a_100011219627_100009893172 [0,1,0,0,0,1|2,0,0]=4 12307 B15R1.11 CC(CCO)SCCc1ccc(cc1)Cl 62a_100009893172_100011713675 [0,1,0,0,0,1|2,0,0]=4 12308 B15R1.11 CC(CCO)SCCc1ccc(cc1)Cl 62a_100011713675_100009893172 [0,1,0,0,0,1|2,0,0]=4 12309 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 34a_100000211118_100011216630 [0,1,0,0,0,1|2,0,0]=4 12310 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 34a_100000688023_100000694040 [0,1,0,0,0,1|2,0,0]=4 12311 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 7a_100000211118_100011216630 [0,1,0,0,0,1|2,0,0]=4 12312 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 7a_100000688023_100000187161 [0,1,0,0,0,1|2,0,0]=4 12313 B15R1.11 CCC[C@H](N)COCc1ccc(cc1)Cl 34a_100000732646_100000694040 [0,1,0,0,0,1|2,0,0]=4 12314 B15R1.11 CN(CCO)CCOc1ccc(cc1)Cl 2230a_100000210263_100000184122 [0,1,0,0,0,1|2,0,0]=4 12315 B15R1.11 CN(CCO)CCOc1ccc(cc1)Cl 2230a_100015184113_200000210301 [0,1,0,0,0,1|2,0,0]=4 12316 B15R1.11 CN(CCO)CCOc1ccc(cc1)Cl 269982a_100000210263_100000184122 [0,1,0,0,0,1|2,0,0]=4 12317 B15R1.11 CN(CCO)CCOc1ccc(cc1)Cl 269982a_100015184113_200000210301 [0,1,0,0,0,1|2,0,0]=4 12318 B15R1.11 CN(CCO)CCOc1ccc(cc1)Cl 34a_100015184113_200000210301 [0,1,0,0,0,1|2,0,0]=4 12319 B15R1.11 CNC[C@@H](O)C/N=C/c1ccc(cc1)Cl 2230a_106832991635_200134754989 [0,1,0,0,0,1|2,0,0]=4 12320 B15R1.11 CNC[C@@H](O)C/N=C/c1ccc(cc1)Cl 34a_100102657272_200134754989 [0,1,0,0,0,1|2,0,0]=4 12321 B15R1.11 CNC[C@@H](O)C/N=C/c1ccc(cc1)Cl 7a_106832991635_200134754989 [0,1,0,0,0,1|2,0,0]=4 12322 B15R1.11 COCC(=O)CCOc1ccc(cc1)Cl 1458a_100000210968_100000184122 [0,1,0,0,0,1|0,0,2]=4 12323 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000765312 [0,1,0,0,0,1|2,0,0]=4 12324 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000749346 [0,1,0,0,0,1|2,0,0]=4 12325 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000765312 [0,1,0,0,0,1|2,0,0]=4 12326 B15R1.11 COCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000765312 [0,1,0,0,0,1|2,0,0]=4 12327 B15R1.11 COCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000765312 [0,1,0,0,0,1|2,0,0]=4 12328 B15R1.11 COCC(C)SCCc1ccc(cc1)Cl 62a_100000765312_100011713675 [0,1,0,0,0,1|2,0,0]=4 12329 B15R1.11 COCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000765312 [0,1,0,0,0,1|2,0,0]=4 12330 B15R1.11 COCC(N)COCc1ccc(cc1)Br 34a_100000724102_100000189115 [0,1,0,0,0,1|1,1,0]=4 12331 B15R1.11 COCC(N)COCc1ccc(cc1)C 34a_100000724102_100000210814 [0,1,0,0,0,1|2,0,0]=4 12332 B15R1.11 COCC(N)COCc1ccc(cc1)Cl 34a_100000724102_100000694040 [0,1,0,0,0,1|1,0,0]=3 12333 B15R1.11 COCC(N)COCc1ccc(cc1)F 34a_100000724102_100000198546 [0,1,0,0,0,1|1,1,0]=4 12334 B15R1.11 COCC(N)COCc1ccc(cc1)I 34a_100000724102_100000189116 [0,1,0,0,0,1|1,1,0]=4 12335 B15R1.11 COCC(N)COCc1ccc(cn1)Cl 34a_100000724102_100012066911 [0,1,0,0,0,1|2,0,0]=4 12336 B15R1.11 COCC(N)COCc1ccc(nc1)Cl 34a_100000724102_100000735431 [0,1,0,0,0,1|2,0,0]=4 12337 B15R1.11 COCC(O)CNCc1ccc(cc1)Br 207a_100000756049_100000186029 [0,1,0,0,0,1|1,1,0]=4 12338 B15R1.11 COCC(O)CNCc1ccc(cc1)Br 2230a_100000756049_100011217064 [0,1,0,0,0,1|1,1,0]=4 12339 B15R1.11 COCC(O)CNCc1ccc(cc1)Br 270004a_100000756049_100000186029 [0,1,0,0,0,1|1,1,0]=4 12340 B15R1.11 COCC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011215053 [0,1,0,0,0,1|1,1,0]=4 12341 B15R1.11 COCC(O)CNCc1ccc(cc1)Br 34a_100000756049_100000189115 [0,1,0,0,0,1|1,1,0]=4 12342 B15R1.11 COCC(O)CNCc1ccc(cc1)C 207a_100000756049_100000211033 [0,1,0,0,0,1|2,0,0]=4 12343 B15R1.11 COCC(O)CNCc1ccc(cc1)C 2230a_100000756049_100000210814 [0,1,0,0,0,1|2,0,0]=4 12344 B15R1.11 COCC(O)CNCc1ccc(cc1)C 270004a_100000756049_100000211033 [0,1,0,0,0,1|2,0,0]=4 12345 B15R1.11 COCC(O)CNCc1ccc(cc1)C 34a_100000174908_100011215053 [0,1,0,0,0,1|2,0,0]=4 12346 B15R1.11 COCC(O)CNCc1ccc(cc1)C 34a_100000756049_100000210814 [0,1,0,0,0,1|2,0,0]=4 12347 B15R1.11 COCC(O)CNCc1ccc(cc1)Cl 207a_100000756049_100000189385 [0,1,0,0,0,1|1,0,0]=3 12348 B15R1.11 COCC(O)CNCc1ccc(cc1)Cl 2230a_100000756049_100000694040 [0,1,0,0,0,1|1,0,0]=3 12349 B15R1.11 COCC(O)CNCc1ccc(cc1)Cl 270004a_100000756049_100000189385 [0,1,0,0,0,1|1,0,0]=3 12350 B15R1.11 COCC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011215053 [0,1,0,0,0,1|1,0,0]=3 12351 B15R1.11 COCC(O)CNCc1ccc(cc1)Cl 34a_100000756049_100000694040 [0,1,0,0,0,1|1,0,0]=3 12352 B15R1.11 COCC(O)CNCc1ccc(cc1)F 207a_100000756049_100000210084 [0,1,0,0,0,1|1,1,0]=4 12353 B15R1.11 COCC(O)CNCc1ccc(cc1)F 2230a_100000756049_100000198546 [0,1,0,0,0,1|1,1,0]=4 12354 B15R1.11 COCC(O)CNCc1ccc(cc1)F 270004a_100000756049_100000210084 [0,1,0,0,0,1|1,1,0]=4 12355 B15R1.11 COCC(O)CNCc1ccc(cc1)F 34a_100000174882_100011215053 [0,1,0,0,0,1|1,1,0]=4 12356 B15R1.11 COCC(O)CNCc1ccc(cc1)F 34a_100000756049_100000198546 [0,1,0,0,0,1|1,1,0]=4 12357 B15R1.11 COCC(O)CNCc1ccc(cc1)I 207a_100000756049_100000188517 [0,1,0,0,0,1|1,1,0]=4 12358 B15R1.11 COCC(O)CNCc1ccc(cc1)I 2230a_100000756049_100000189116 [0,1,0,0,0,1|1,1,0]=4 12359 B15R1.11 COCC(O)CNCc1ccc(cc1)I 34a_100000756049_100000189116 [0,1,0,0,0,1|1,1,0]=4 12360 B15R1.11 COCC(O)CNCc1ccc(cc1)I 34a_100016989417_100011215053 [0,1,0,0,0,1|1,1,0]=4 12361 B15R1.11 COCC(O)CNCc1ccc(cc1)O 34a_100000185549_100011215053 [0,1,0,0,0,1|2,0,0]=4 12362 B15R1.11 COCC(O)CNCc1ccc(cn1)Cl 207a_100000756049_100011361569 [0,1,0,0,0,1|2,0,0]=4 12363 B15R1.11 COCC(O)CNCc1ccc(cn1)Cl 2230a_100000756049_100012066911 [0,1,0,0,0,1|2,0,0]=4 12364 B15R1.11 COCC(O)CNCc1ccc(cn1)Cl 270004a_100000756049_100011361569 [0,1,0,0,0,1|2,0,0]=4 12365 B15R1.11 COCC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011215053 [0,1,0,0,0,1|2,0,0]=4 12366 B15R1.11 COCC(O)CNCc1ccc(cn1)Cl 34a_100000756049_100012066911 [0,1,0,0,0,1|2,0,0]=4 12367 B15R1.11 COCC(O)CNCc1ccc(nc1)Cl 2230a_100000756049_100000735431 [0,1,0,0,0,1|2,0,0]=4 12368 B15R1.11 COCC(O)CNCc1ccc(nc1)Cl 34a_100000735879_100011215053 [0,1,0,0,0,1|2,0,0]=4 12369 B15R1.11 COCC(O)CNCc1ccc(nc1)Cl 34a_100000756049_100000735431 [0,1,0,0,0,1|2,0,0]=4 12370 B15R1.11 COCC(O)COCc1cc[n+](cc1)C 34a_100009831711_100011215053 [0,1,0,0,0,1|2,0,0]=4 12371 B15R1.11 COCC(O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100011215053 [0,1,0,0,0,1|2,0,0]=4 12372 B15R1.11 COCC(O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100011215053 [0,1,0,0,0,1|2,0,0]=4 12373 B15R1.11 COCC(O)COCc1ccc(=O)[nH]c1 34a_100011999846_100011215053 [0,1,0,0,0,1|2,0,0]=4 12374 B15R1.11 COCC(O)COCc1ccc(cc1)Br 34a_100000695286_100011215053 [0,1,0,0,0,1|0,1,0]=3 12375 B15R1.11 COCC(O)COCc1ccc(cc1)C 34a_100011215236_100011215053 [0,1,0,0,0,1|1,0,0]=3 12376 B15R1.11 COCC(O)COCc1ccc(cc1)C 7a_100011215236_100011215053 [0,1,0,0,0,1|1,0,0]=3 12377 B15R1.11 COCC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011215053 [0,1,0,0,0,1|0,0,0]=2 12378 B15R1.11 COCC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011215053 [0,1,0,0,0,1|0,0,0]=2 12379 B15R1.11 COCC(O)COCc1ccc(cc1)F 34a_100000210977_100011215053 [0,1,0,0,0,1|0,1,0]=3 12380 B15R1.11 COCC(O)COCc1ccc(cc1)F 7a_100000210977_100011215053 [0,1,0,0,0,1|0,1,0]=3 12381 B15R1.11 COCC(O)COCc1ccc(cc1)I 34a_100000690907_100011215053 [0,1,0,0,0,1|0,1,0]=3 12382 B15R1.11 COCC(O)COCc1ccc(cc1)I 7a_100000690907_100011215053 [0,1,0,0,0,1|0,1,0]=3 12383 B15R1.11 COCC(O)COCc1ccc(cc1)N 34a_100011215238_100011215053 [0,1,0,0,0,1|1,0,0]=3 12384 B15R1.11 COCC(O)COCc1ccc(cn1)Br 34a_100000754261_100011215053 [0,1,0,0,0,1|1,1,0]=4 12385 B15R1.11 COCC(O)COCc1ccc(cn1)C 34a_100012001401_100011215053 [0,1,0,0,0,1|2,0,0]=4 12386 B15R1.11 COCC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011215053 [0,1,0,0,0,1|1,0,0]=3 12387 B15R1.11 COCC(O)COCc1ccc(cn1)F 34a_100011999454_100011215053 [0,1,0,0,0,1|1,1,0]=4 12388 B15R1.11 COCC(O)COCc1ccc(cn1)N 34a_100011998161_100011215053 [0,1,0,0,0,1|2,0,0]=4 12389 B15R1.11 COCC(O)COCc1ccc(nc1)Br 34a_100009816760_100011215053 [0,1,0,0,0,1|1,1,0]=4 12390 B15R1.11 COCC(O)COCc1ccc(nc1)Br 7a_100009816760_100011215053 [0,1,0,0,0,1|1,1,0]=4 12391 B15R1.11 COCC(O)COCc1ccc(nc1)C 34a_100011248133_100011215053 [0,1,0,0,0,1|2,0,0]=4 12392 B15R1.11 COCC(O)COCc1ccc(nc1)Cl 34a_100000755211_100011215053 [0,1,0,0,0,1|1,0,0]=3 12393 B15R1.11 COCC(O)COCc1ccc(nc1)Cl 7a_100000755211_100011215053 [0,1,0,0,0,1|1,0,0]=3 12394 B15R1.11 COCC(O)COCc1ccc(nc1)F 34a_100000079959_100011215053 [0,1,0,0,0,1|1,1,0]=4 12395 B15R1.11 COCC(O)COCc1ccc(nc1)N 34a_100000704267_100011215053 [0,1,0,0,0,1|2,0,0]=4 12396 B15R1.11 COCC(O)COCc1cnc(cn1)Cl 34a_100012002382_100011215053 [0,1,0,0,0,1|2,0,0]=4 12397 B15R1.11 COCC(O)COCc1cnc(nc1)Cl 34a_100009855073_100011215053 [0,1,0,0,0,1|2,0,0]=4 12398 B15R1.11 COCC(O)COCc1cnc(nc1)Cl 7a_100009855073_100011215053 [0,1,0,0,0,1|2,0,0]=4 12399 B15R1.11 COCC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011215053 [0,1,0,0,0,1|0,2,0]=4 12400 B15R1.11 COCC(O)CSCc1ccc(cc1)Br 62a_100011215053_100000189115 [0,1,0,0,0,1|0,2,0]=4 12401 B15R1.11 COCC(O)CSCc1ccc(cc1)C 62a_100000210814_100011215053 [0,1,0,0,0,1|1,1,0]=4 12402 B15R1.11 COCC(O)CSCc1ccc(cc1)C 62a_100011215053_100000210814 [0,1,0,0,0,1|1,1,0]=4 12403 B15R1.11 COCC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011215053 [0,1,0,0,0,1|0,1,0]=3 12404 B15R1.11 COCC(O)CSCc1ccc(cc1)Cl 62a_100011215053_100000187161 [0,1,0,0,0,1|0,1,0]=3 12405 B15R1.11 COCC(O)CSCc1ccc(cc1)F 62a_100000198546_100011215053 [0,1,0,0,0,1|0,2,0]=4 12406 B15R1.11 COCC(O)CSCc1ccc(cc1)F 62a_100011215053_100000187164 [0,1,0,0,0,1|0,2,0]=4 12407 B15R1.11 COCC(O)CSCc1ccc(cc1)I 62a_100000189116_100011215053 [0,1,0,0,0,1|0,2,0]=4 12408 B15R1.11 COCC(O)CSCc1ccc(cc1)I 62a_100011215053_100000189116 [0,1,0,0,0,1|0,2,0]=4 12409 B15R1.11 COCC(O)CSCc1ccc(cn1)Cl 62a_100011215053_100000697101 [0,1,0,0,0,1|1,1,0]=4 12410 B15R1.11 COCC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011215053 [0,1,0,0,0,1|1,1,0]=4 12411 B15R1.11 COCC(O)CSCc1ccc(nc1)Cl 62a_100000735431_100011215053 [0,1,0,0,0,1|1,1,0]=4 12412 B15R1.11 COCC(O)CSCc1ccc(nc1)Cl 62a_100011215053_100000735431 [0,1,0,0,0,1|1,1,0]=4 12413 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)Cl 2230a_100000764878_100011713675 [0,1,0,0,0,1|2,0,0]=4 12414 B15R1.11 COC[C@@H](C)OCCc1ccc(cc1)Cl 34a_100011934205_100011713675 [0,1,0,0,0,1|2,0,0]=4 12415 B15R1.11 COC[C@@H](O)C/N=C/c1ccc(cc1)Cl 34a_100138415774_200134754989 [0,1,0,0,0,1|1,0,0]=3 12416 B15R1.11 CSC[C@@H](O)C/N=C/c1ccc(cc1)Cl 62a_200000210301_200134754989 [0,1,0,0,0,1|1,1,0]=4 12417 B15R1.11 CSC[C@@H](O)C/N=C/c1ccc(cc1)Cl 62a_200134754989_200000210301 [0,1,0,0,0,1|1,1,0]=4 12418 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Cl 2230a_100000706166_100011713675 [0,1,0,0,0,1|2,0,0]=4 12419 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Cl 34a_100000706166_100011713675 [0,1,0,0,0,1|2,0,0]=4 12420 B15R1.11 Cc1ccc(cc1)COC[C@@H](O)CC#N 7a_100011215236_100000001066 [0,1,0,0,0,1|2,0,0]=4 12421 B15R1.11 N#CC[C@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000001066 [0,1,0,0,0,1|2,0,0]=4 12422 B15R1.11 N#CC[C@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100000001066 [0,1,0,0,0,1|1,0,0]=3 12423 B15R1.11 N#CC[C@H](O)COCc1ccc(cc1)F 7a_100000210977_100000001066 [0,1,0,0,0,1|1,1,0]=4 12424 B15R1.11 N#CC[C@H](O)COCc1ccc(cc1)I 7a_100000690907_100000001066 [0,1,0,0,0,1|1,1,0]=4 12425 B15R1.11 N#CC[C@H](O)COCc1ccc(nc1)Cl 7a_100000755211_100000001066 [0,1,0,0,0,1|2,0,0]=4 12426 B15R1.11 N#CC[C@H](O)CSCc1ccc(cc1)Cl 62a_100000001066_100000187161 [0,1,0,0,0,1|1,1,0]=4 12427 B15R1.11 N#CC[C@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100000001066 [0,1,0,0,0,1|1,1,0]=4 12428 B15R1.11 O=C(CCO)CCOc1ccc(cc1)Cl 1458a_100000186438_100000211926 [0,1,0,0,0,1|0,0,2]=4 12429 B15R1.11 O=C(CCO)CCOc1ccc(cc1)Cl 1458a_100011216618_100000184122 [0,1,0,0,0,1|0,0,2]=4 12430 B15R1.11 O=C(COCc1ccc(cc1)Cl)NCO 34a_100000211118_100000185155 [0,1,0,0,0,1|0,0,2]=4 12431 B15R1.11 O=C(COCc1ccc(cc1)Cl)NCO 7a_100000211118_100000185155 [0,1,0,0,0,1|0,0,2]=4 12432 B15R1.11 [13CH3]N(CCO)CCOc1ccc(cc1)Cl 2230a_100015184113_200025704644 [0,1,0,0,0,1|2,0,0]=4 12433 B15R1.11 [13CH3]N(CCO)CCOc1ccc(cc1)Cl 269982a_100015184113_200025704644 [0,1,0,0,0,1|2,0,0]=4 12434 B15R1.11 [13CH3]N(CCO)CCOc1ccc(cc1)Cl 34a_100015184113_200025704644 [0,1,0,0,0,1|2,0,0]=4 12435 B15R1.11 [13CH3]SC[C@@H](O)C/N=C/c1ccc(cc1)Cl 62a_200025704644_200134754989 [0,1,0,0,0,1|1,1,0]=4 12436 B15R1.11 [13CH3]SC[C@@H](O)C/N=C/c1ccc(cc1)Cl 62a_200134754989_200025704644 [0,1,0,0,0,1|1,1,0]=4 12437 B15R1.112 CC(C)C(O)CNCc1ccc(cc1)Cl 207a_100000759067_100000189385 [0,1,0,0,0,1|2,0,0]=4 12438 B15R1.112 CC(C)C(O)CNCc1ccc(cc1)Cl 2230a_100000759067_100000694040 [0,1,0,0,0,1|2,0,0]=4 12439 B15R1.112 CC(C)C(O)CNCc1ccc(cc1)Cl 270004a_100000759067_100000189385 [0,1,0,0,0,1|2,0,0]=4 12440 B15R1.112 CC(C)C(O)CNCc1ccc(cc1)Cl 34a_100000759067_100000694040 [0,1,0,0,0,1|2,0,0]=4 12441 B15R1.112 CC(C)[C@@H](N)COCc1ccc(cc1)Cl 34a_100011830312_100000694040 [0,1,0,0,0,1|2,0,0]=4 12442 B15R1.112 C[C@@H](O)C(=O)CCOc1ccc(cc1)Cl 1458a_100000717761_100000184122 [0,1,0,0,0,1|0,0,2]=4 12443 B15R1.112 C[C@H](O)C(=O)CCOc1ccc(cc1)Cl 1458a_217856618621_100000184122 [0,1,0,0,0,1|0,0,2]=4 12444 B15R1.112 O=C(CCOc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000184122 [0,1,0,0,0,1|0,0,2]=4 12445 B15R1.132 C=CC(O)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000730141 [0,1,0,0,0,1|1,0,1]=4 12446 B15R1.132 C=CC(O)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000730141 [0,1,0,0,0,1|1,0,1]=4 12447 B15R1.132 CC(CO)CNC(=O)c1ccc(cc1)Cl 240690a_100000744482_100000210187 [0,1,0,0,0,1|2,0,0]=4 12448 B15R1.132 CC(CO)CNC(=O)c1ccc(cc1)Cl 527a_100000744482_100000210187 [0,1,0,0,0,1|2,0,0]=4 12449 B15R1.132 CC(CO)CNC(C)c1ccc(cc1)Cl 269862a_100000744482_100000185797 [0,1,0,0,0,1|2,0,0]=4 12450 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_100012180447 [0,1,0,0,0,1|2,0,0]=4 12451 B15R1.132 CC(CO)NCC(O)c1ccc(cc1)Cl 34a_100000736658_100012180447 [0,1,0,0,0,1|2,0,0]=4 12452 B15R1.132 CC(CO)OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100012180447 [0,1,0,0,0,1|2,0,0]=4 12453 B15R1.132 CC(CO)SCC(=O)c1ccc(cc1)Cl 62a_100012180447_100000211071 [0,1,0,0,0,1|2,0,0]=4 12454 B15R1.132 CC(CO)SCC(O)c1ccc(cc1)Cl 62a_100012180447_200011996143 [0,1,0,0,0,1|2,0,0]=4 12455 B15R1.132 CC(NC[C@@H](F)CO)c1ccc(cc1)Cl 269862a_100015665980_100000185797 [0,1,0,0,0,1|2,0,0]=4 12456 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cc1)Br 2230a_100020644852_100000755118 [0,1,0,0,0,1|1,1,0]=4 12457 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cc1)Br 269862a_100020644852_100000185794 [0,1,0,0,0,1|1,1,0]=4 12458 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cc1)Cl 2230a_100020644852_100000684792 [0,1,0,0,0,1|1,0,0]=3 12459 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cc1)Cl 269862a_100020644852_100000185797 [0,1,0,0,0,1|1,0,0]=3 12460 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cc1)F 2230a_100020644852_100000743420 [0,1,0,0,0,1|1,1,0]=4 12461 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cc1)F 269862a_100020644852_100000185800 [0,1,0,0,0,1|1,1,0]=4 12462 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cc1)I 269862a_100020644852_100000185465 [0,1,0,0,0,1|1,1,0]=4 12463 B15R1.132 CC(NC[C@H](O)CO)c1ccc(cn1)Cl 269862a_100020644852_100000692432 [0,1,0,0,0,1|2,0,0]=4 12464 B15R1.132 CC(NC[C@H](O)CO)c1ccc(nc1)Cl 269862a_100020644852_100000690552 [0,1,0,0,0,1|2,0,0]=4 12465 B15R1.132 CC(OCC(O)CO)c1ccc(cc1)Br 34a_100000745893_100011219619 [0,1,0,0,0,1|0,1,0]=3 12466 B15R1.132 CC(OCC(O)CO)c1ccc(cc1)Br 7a_100000745893_100011219619 [0,1,0,0,0,1|0,1,0]=3 12467 B15R1.132 CC(OCC(O)CO)c1ccc(cc1)F 34a_100000181323_100011219619 [0,1,0,0,0,1|0,1,0]=3 12468 B15R1.132 CC(OCC(O)CO)c1ccc(cc1)F 7a_100000181323_100011219619 [0,1,0,0,0,1|0,1,0]=3 12469 B15R1.132 CC(OCC(O)CO)c1ccc(cc1)N 34a_100011216399_100011219619 [0,1,0,0,0,1|1,0,0]=3 12470 B15R1.132 CC(OCC(O)CO)c1ccc(cn1)Br 34a_100012353650_100011219619 [0,1,0,0,0,1|1,1,0]=4 12471 B15R1.132 CC(OCC(O)CO)c1ccc(cn1)Br 7a_100012353650_100011219619 [0,1,0,0,0,1|1,1,0]=4 12472 B15R1.132 CC(OCC(O)CO)c1ccc(nc1)Br 34a_200010274204_100011219619 [0,1,0,0,0,1|1,1,0]=4 12473 B15R1.132 CC(OCC(O)CO)c1ccc(nc1)Br 7a_200010274204_100011219619 [0,1,0,0,0,1|1,1,0]=4 12474 B15R1.132 CC(OCC(O)CO)c1ccc(nc1)Cl 34a_200012017543_100011219619 [0,1,0,0,0,1|1,0,0]=3 12475 B15R1.132 CC(OCC(O)CO)c1ccc(nc1)Cl 7a_200012017543_100011219619 [0,1,0,0,0,1|1,0,0]=3 12476 B15R1.132 CC(OC[C@@H](C)CO)c1ccc(cc1)Br 34a_100000745893_100000059175 [0,1,0,0,0,1|1,1,0]=4 12477 B15R1.132 CC(OC[C@@H](C)CO)c1ccc(cc1)Br 7a_100000745893_100000059175 [0,1,0,0,0,1|1,1,0]=4 12478 B15R1.132 CC(OC[C@@H](C)CO)c1ccc(cc1)F 34a_100000181323_100000059175 [0,1,0,0,0,1|1,1,0]=4 12479 B15R1.132 CC(OC[C@@H](C)CO)c1ccc(cc1)F 7a_100000181323_100000059175 [0,1,0,0,0,1|1,1,0]=4 12480 B15R1.132 CC(OC[C@@H](C)CO)c1ccc(cc1)N 34a_100011216399_100000059175 [0,1,0,0,0,1|2,0,0]=4 12481 B15R1.132 CC(OC[C@@H](C)CO)c1ccc(nc1)Cl 34a_200012017543_100000059175 [0,1,0,0,0,1|2,0,0]=4 12482 B15R1.132 CC(OC[C@@H](C)CO)c1ccc(nc1)Cl 7a_200012017543_100000059175 [0,1,0,0,0,1|2,0,0]=4 12483 B15R1.132 CC(OC[C@@H](O)CF)c1ccc(cc1)Br 34a_100000745893_100015614560 [0,1,0,0,0,1|1,1,0]=4 12484 B15R1.132 CC(OC[C@@H](O)CF)c1ccc(cc1)Br 7a_100000745893_100015614560 [0,1,0,0,0,1|1,1,0]=4 12485 B15R1.132 CC(OC[C@@H](O)CF)c1ccc(cc1)F 34a_100000181323_100015614560 [0,1,0,0,0,1|1,1,0]=4 12486 B15R1.132 CC(OC[C@@H](O)CF)c1ccc(cc1)F 7a_100000181323_100015614560 [0,1,0,0,0,1|1,1,0]=4 12487 B15R1.132 CC(OC[C@@H](O)CF)c1ccc(cc1)N 34a_100011216399_100015614560 [0,1,0,0,0,1|2,0,0]=4 12488 B15R1.132 CC(OC[C@@H](O)CF)c1ccc(nc1)Cl 34a_200012017543_100015614560 [0,1,0,0,0,1|2,0,0]=4 12489 B15R1.132 CC(OC[C@@H](O)CF)c1ccc(nc1)Cl 7a_200012017543_100015614560 [0,1,0,0,0,1|2,0,0]=4 12490 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(cc1)Br 34a_100000745893_100009815848 [0,1,0,0,0,1|0,1,0]=3 12491 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(cc1)Br 7a_100000745893_100009815848 [0,1,0,0,0,1|0,1,0]=3 12492 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(cc1)F 34a_100000181323_100009815848 [0,1,0,0,0,1|0,1,0]=3 12493 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(cc1)F 7a_100000181323_100009815848 [0,1,0,0,0,1|0,1,0]=3 12494 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(cc1)N 34a_100011216399_100009815848 [0,1,0,0,0,1|1,0,0]=3 12495 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(cn1)Br 34a_100012353650_100009815848 [0,1,0,0,0,1|1,1,0]=4 12496 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(cn1)Br 7a_100012353650_100009815848 [0,1,0,0,0,1|1,1,0]=4 12497 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(nc1)Br 34a_200010274204_100009815848 [0,1,0,0,0,1|1,1,0]=4 12498 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(nc1)Br 7a_200010274204_100009815848 [0,1,0,0,0,1|1,1,0]=4 12499 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(nc1)Cl 34a_200012017543_100009815848 [0,1,0,0,0,1|1,0,0]=3 12500 B15R1.132 CC(OC[C@@H](O)CO)c1ccc(nc1)Cl 7a_200012017543_100009815848 [0,1,0,0,0,1|1,0,0]=3 12501 B15R1.132 CC(SCC(O)CO)c1ccc(cc1)Br 62a_100000755118_100011219619 [0,1,0,0,0,1|0,2,0]=4 12502 B15R1.132 CC(SCC(O)CO)c1ccc(cc1)Br 62a_100011219619_100000755118 [0,1,0,0,0,1|0,2,0]=4 12503 B15R1.132 CC(SCC(O)CO)c1ccc(cc1)Cl 62a_100000684792_100011219619 [0,1,0,0,0,1|0,1,0]=3 12504 B15R1.132 CC(SCC(O)CO)c1ccc(cc1)Cl 62a_100011219619_100000684792 [0,1,0,0,0,1|0,1,0]=3 12505 B15R1.132 CC(SCC(O)CO)c1ccc(cc1)F 62a_100000743420_100011219619 [0,1,0,0,0,1|0,2,0]=4 12506 B15R1.132 CC(SCC(O)CO)c1ccc(cc1)F 62a_100011219619_100000743420 [0,1,0,0,0,1|0,2,0]=4 12507 B15R1.132 CC(SC[C@@H](C)CO)c1ccc(cc1)Cl 62a_100000059175_100000684792 [0,1,0,0,0,1|1,1,0]=4 12508 B15R1.132 CC(SC[C@@H](C)CO)c1ccc(cc1)Cl 62a_100000684792_100000059175 [0,1,0,0,0,1|1,1,0]=4 12509 B15R1.132 CC(SC[C@@H](O)CF)c1ccc(cc1)Cl 62a_100000684792_100015614560 [0,1,0,0,0,1|1,1,0]=4 12510 B15R1.132 CC(SC[C@@H](O)CF)c1ccc(cc1)Cl 62a_100015614560_100000684792 [0,1,0,0,0,1|1,1,0]=4 12511 B15R1.132 CC(SC[C@@H](O)CO)c1ccc(cc1)Br 62a_100000755118_100009815848 [0,1,0,0,0,1|0,2,0]=4 12512 B15R1.132 CC(SC[C@@H](O)CO)c1ccc(cc1)Br 62a_100009815848_100000755118 [0,1,0,0,0,1|0,2,0]=4 12513 B15R1.132 CC(SC[C@@H](O)CO)c1ccc(cc1)Cl 62a_100000684792_100009815848 [0,1,0,0,0,1|0,1,0]=3 12514 B15R1.132 CC(SC[C@@H](O)CO)c1ccc(cc1)Cl 62a_100009815848_100000684792 [0,1,0,0,0,1|0,1,0]=3 12515 B15R1.132 CC(SC[C@@H](O)CO)c1ccc(cc1)F 62a_100000743420_100009815848 [0,1,0,0,0,1|0,2,0]=4 12516 B15R1.132 CC(SC[C@@H](O)CO)c1ccc(cc1)F 62a_100009815848_100000743420 [0,1,0,0,0,1|0,2,0]=4 12517 B15R1.132 CCC(C)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000748023 [0,1,0,0,0,1|2,0,0]=4 12518 B15R1.132 CCC(C)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000748023 [0,1,0,0,0,1|2,0,0]=4 12519 B15R1.132 CCC(O)CNC(=O)c1ccc(cc1)Cl 11a_100011218483_100000210187 [0,1,0,0,0,1|2,0,0]=4 12520 B15R1.132 CCC(O)CNC(=O)c1ccc(cc1)Cl 240690a_100011218483_100000210187 [0,1,0,0,0,1|2,0,0]=4 12521 B15R1.132 CCC(O)CNC(=O)c1ccc(cc1)Cl 527a_100011218483_100000210187 [0,1,0,0,0,1|2,0,0]=4 12522 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)Cl 2230a_100011218483_100000684792 [0,1,0,0,0,1|2,0,0]=4 12523 B15R1.132 CCC(O)CNC(C)c1ccc(cc1)Cl 269862a_100011218483_100000185797 [0,1,0,0,0,1|2,0,0]=4 12524 B15R1.132 CCC(O)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011218378 [0,1,0,0,0,1|2,0,0]=4 12525 B15R1.132 CCC(O)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011218378 [0,1,0,0,0,1|2,0,0]=4 12526 B15R1.132 CCC(O)COC(C)c1ccc(cc1)Br 34a_100000745893_100011218378 [0,1,0,0,0,1|1,1,0]=4 12527 B15R1.132 CCC(O)COC(C)c1ccc(cc1)Br 7a_100000745893_100011218378 [0,1,0,0,0,1|1,1,0]=4 12528 B15R1.132 CCC(O)COC(C)c1ccc(cc1)F 34a_100000181323_100011218378 [0,1,0,0,0,1|1,1,0]=4 12529 B15R1.132 CCC(O)COC(C)c1ccc(cc1)F 7a_100000181323_100011218378 [0,1,0,0,0,1|1,1,0]=4 12530 B15R1.132 CCC(O)COC(C)c1ccc(cc1)N 34a_100011216399_100011218378 [0,1,0,0,0,1|2,0,0]=4 12531 B15R1.132 CCC(O)COC(C)c1ccc(nc1)Cl 34a_200012017543_100011218378 [0,1,0,0,0,1|2,0,0]=4 12532 B15R1.132 CCC(O)COC(C)c1ccc(nc1)Cl 7a_200012017543_100011218378 [0,1,0,0,0,1|2,0,0]=4 12533 B15R1.132 CCC(O)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218378 [0,1,0,0,0,1|1,0,0]=3 12534 B15R1.132 CCC(O)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100011218378 [0,1,0,0,0,1|1,0,0]=3 12535 B15R1.132 CCC(O)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011218378 [0,1,0,0,0,1|2,0,0]=4 12536 B15R1.132 CCC(O)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100011218378 [0,1,0,0,0,1|2,0,0]=4 12537 B15R1.132 CCC(O)CSC(C)c1ccc(cc1)Cl 62a_100000684792_100011218378 [0,1,0,0,0,1|1,1,0]=4 12538 B15R1.132 CCC(O)CSC(C)c1ccc(cc1)Cl 62a_100011218378_100000684792 [0,1,0,0,0,1|1,1,0]=4 12539 B15R1.132 CC[C@H](C)COC(C)c1ccc(cc1)Cl 7a_100009816381_100000684792 [0,1,0,0,0,1|2,0,0]=4 12540 B15R1.132 CC[C@H](C)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100009816398 [0,1,0,0,0,1|2,0,0]=4 12541 B15R1.132 CC[C@H](C)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100009816398 [0,1,0,0,0,1|2,0,0]=4 12542 B15R1.132 C[C@@H](CO)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000059175 [0,1,0,0,0,1|2,0,0]=4 12543 B15R1.132 C[C@@H](CO)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000059175 [0,1,0,0,0,1|2,0,0]=4 12544 B15R1.132 C[C@@H](CO)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000059175 [0,1,0,0,0,1|1,0,0]=3 12545 B15R1.132 C[C@@H](CO)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000059175 [0,1,0,0,0,1|1,0,0]=3 12546 B15R1.132 C[C@@H](NCC(O)CO)c1ccc(cc1)Br 2230a_100000720352_100011219619 [0,1,0,0,0,1|1,1,0]=4 12547 B15R1.132 C[C@@H](NCC(O)CO)c1ccc(cc1)Cl 2230a_100015205461_100011219619 [0,1,0,0,0,1|1,0,0]=3 12548 B15R1.132 C[C@@H](NCC(O)CO)c1ccc(cc1)Cl 34a_100015205461_100011219619 [0,1,0,0,0,1|1,0,0]=3 12549 B15R1.132 C[C@@H](NC[C@@H](O)CF)c1ccc(cc1)Cl 2230a_100015205461_100015614560 [0,1,0,0,0,1|2,0,0]=4 12550 B15R1.132 C[C@@H](NC[C@@H](O)CF)c1ccc(cc1)Cl 34a_100015205461_100015614560 [0,1,0,0,0,1|2,0,0]=4 12551 B15R1.132 C[C@@H](NC[C@@H](O)CO)c1ccc(cc1)Br 2230a_100000720352_100009815848 [0,1,0,0,0,1|1,1,0]=4 12552 B15R1.132 C[C@@H](NC[C@@H](O)CO)c1ccc(cc1)Cl 2230a_100015205461_100009815848 [0,1,0,0,0,1|1,0,0]=3 12553 B15R1.132 C[C@@H](NC[C@@H](O)CO)c1ccc(cc1)Cl 34a_100015205461_100009815848 [0,1,0,0,0,1|1,0,0]=3 12554 B15R1.132 C[C@H](CO)NCC(O)c1ccc(cc1)Cl 2230a_100000737577_200011996143 [0,1,0,0,0,1|2,0,0]=4 12555 B15R1.132 C[C@H](CO)SCC(=O)c1ccc(cc1)Cl 62a_100000211071_100016084084 [0,1,0,0,0,1|2,0,0]=4 12556 B15R1.132 C[C@H](CO)SCC(=O)c1ccc(cc1)Cl 62a_100016084084_100000211071 [0,1,0,0,0,1|2,0,0]=4 12557 B15R1.132 C[C@H](CO)SCC(O)c1ccc(cc1)Cl 62a_100016084084_200011996143 [0,1,0,0,0,1|2,0,0]=4 12558 B15R1.132 C[C@H](CO)SCC(O)c1ccc(cc1)Cl 62a_200011996143_100016084084 [0,1,0,0,0,1|2,0,0]=4 12559 B15R1.132 C[C@H](NCC(O)CO)c1ccc(cc1)F 2230a_100025705893_100011219619 [0,1,0,0,0,1|1,1,0]=4 12560 B15R1.132 C[C@H](NCC(O)CO)c1ccc(cc1)F 34a_100025705893_100011219619 [0,1,0,0,0,1|1,1,0]=4 12561 B15R1.132 C[C@H](NCC(O)CO)c1ccc(cc1)I 2230a_100000753911_100011219619 [0,1,0,0,0,1|1,1,0]=4 12562 B15R1.132 C[C@H](NCC(O)CO)c1ccc(cc1)O 2230a_100161106496_100011219619 [0,1,0,0,0,1|2,0,0]=4 12563 B15R1.132 C[C@H](NC[C@@H](O)CO)c1ccc(cc1)F 2230a_100025705893_100009815848 [0,1,0,0,0,1|1,1,0]=4 12564 B15R1.132 C[C@H](NC[C@@H](O)CO)c1ccc(cc1)F 34a_100025705893_100009815848 [0,1,0,0,0,1|1,1,0]=4 12565 B15R1.132 C[C@H](NC[C@@H](O)CO)c1ccc(cc1)I 2230a_100000753911_100009815848 [0,1,0,0,0,1|1,1,0]=4 12566 B15R1.132 C[C@H](NC[C@@H](O)CO)c1ccc(cc1)O 2230a_100161106496_100009815848 [0,1,0,0,0,1|2,0,0]=4 12567 B15R1.132 C[C@H](OCC(O)CO)c1ccc(cc1)Cl 34a_100011852131_100011219619 [0,1,0,0,0,1|0,0,0]=2 12568 B15R1.132 C[C@H](OCC(O)CO)c1ccc(cc1)Cl 7a_100011852131_100011219619 [0,1,0,0,0,1|0,0,0]=2 12569 B15R1.132 C[C@H](OC[C@@H](O)CF)c1ccc(cc1)Cl 34a_100011852131_100015614560 [0,1,0,0,0,1|1,0,0]=3 12570 B15R1.132 C[C@H](OC[C@@H](O)CF)c1ccc(cc1)Cl 7a_100011852131_100015614560 [0,1,0,0,0,1|1,0,0]=3 12571 B15R1.132 C[C@H](OC[C@@H](O)CO)c1ccc(cc1)Cl 34a_100011852131_100009815848 [0,1,0,0,0,1|0,0,0]=2 12572 B15R1.132 C[C@H](OC[C@@H](O)CO)c1ccc(cc1)Cl 7a_100011852131_100009815848 [0,1,0,0,0,1|0,0,0]=2 12573 B15R1.132 Cc1ccc(cc1)C(=O)NC[C@H](O)CO 240690a_100020644852_100000188618 [0,1,0,0,0,1|2,0,0]=4 12574 B15R1.132 Cc1ccc(cc1)C(=O)NC[C@H](O)CO 527a_100020644852_100000188618 [0,1,0,0,0,1|2,0,0]=4 12575 B15R1.132 Cc1ccc(cc1)C(C)NC[C@H](O)CO 2230a_100020644852_100011261388 [0,1,0,0,0,1|2,0,0]=4 12576 B15R1.132 Cc1ccc(cc1)C(C)NC[C@H](O)CO 269862a_100020644852_100000185793 [0,1,0,0,0,1|2,0,0]=4 12577 B15R1.132 Cc1ccc(cc1)C(C)SCC(O)CO 62a_100011219619_100011261388 [0,1,0,0,0,1|1,1,0]=4 12578 B15R1.132 Cc1ccc(cc1)C(C)SCC(O)CO 62a_100011261388_100011219619 [0,1,0,0,0,1|1,1,0]=4 12579 B15R1.132 Cc1ccc(cc1)C(C)SC[C@@H](O)CO 62a_100009815848_100011261388 [0,1,0,0,0,1|1,1,0]=4 12580 B15R1.132 Cc1ccc(cc1)C(C)SC[C@@H](O)CO 62a_100011261388_100009815848 [0,1,0,0,0,1|1,1,0]=4 12581 B15R1.132 Cc1ccc(cc1)[C@@H](C)NCC(O)CO 2230a_100016988085_100011219619 [0,1,0,0,0,1|2,0,0]=4 12582 B15R1.132 Cc1ccc(cc1)[C@@H](C)NCC(O)CO 34a_100016988085_100011219619 [0,1,0,0,0,1|2,0,0]=4 12583 B15R1.132 Cc1ccc(cc1)[C@@H](C)NC[C@@H](O)CO 2230a_100016988085_100009815848 [0,1,0,0,0,1|2,0,0]=4 12584 B15R1.132 Cc1ccc(cc1)[C@@H](C)NC[C@@H](O)CO 34a_100016988085_100009815848 [0,1,0,0,0,1|2,0,0]=4 12585 B15R1.132 Cc1ccc(cc1)[C@@H](C)OCC(O)CO 34a_100000690690_100011219619 [0,1,0,0,0,1|1,0,0]=3 12586 B15R1.132 Cc1ccc(cc1)[C@@H](C)OCC(O)CO 7a_100000690690_100011219619 [0,1,0,0,0,1|1,0,0]=3 12587 B15R1.132 Cc1ccc(cc1)[C@@H](C)OC[C@@H](C)CO 34a_100000690690_100000059175 [0,1,0,0,0,1|2,0,0]=4 12588 B15R1.132 Cc1ccc(cc1)[C@@H](C)OC[C@@H](C)CO 7a_100000690690_100000059175 [0,1,0,0,0,1|2,0,0]=4 12589 B15R1.132 Cc1ccc(cc1)[C@@H](C)OC[C@@H](O)CF 34a_100000690690_100015614560 [0,1,0,0,0,1|2,0,0]=4 12590 B15R1.132 Cc1ccc(cc1)[C@@H](C)OC[C@@H](O)CF 7a_100000690690_100015614560 [0,1,0,0,0,1|2,0,0]=4 12591 B15R1.132 Cc1ccc(cc1)[C@@H](C)OC[C@@H](O)CO 34a_100000690690_100009815848 [0,1,0,0,0,1|1,0,0]=3 12592 B15R1.132 Cc1ccc(cc1)[C@@H](C)OC[C@@H](O)CO 7a_100000690690_100009815848 [0,1,0,0,0,1|1,0,0]=3 12593 B15R1.132 Cc1ccc(cn1)C(C)OCC(O)CO 34a_200011815720_100011219619 [0,1,0,0,0,1|2,0,0]=4 12594 B15R1.132 Cc1ccc(cn1)C(C)OCC(O)CO 7a_200011815720_100011219619 [0,1,0,0,0,1|2,0,0]=4 12595 B15R1.132 Cc1ccc(cn1)C(C)OC[C@@H](O)CO 34a_200011815720_100009815848 [0,1,0,0,0,1|2,0,0]=4 12596 B15R1.132 Cc1ccc(cn1)C(C)OC[C@@H](O)CO 7a_200011815720_100009815848 [0,1,0,0,0,1|2,0,0]=4 12597 B15R1.132 O=C(NC[C@@H](F)CO)c1ccc(cc1)Cl 240690a_100015665980_100000210187 [0,1,0,0,0,1|2,0,0]=4 12598 B15R1.132 O=C(NC[C@@H](F)CO)c1ccc(cc1)Cl 527a_100015665980_100000210187 [0,1,0,0,0,1|2,0,0]=4 12599 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)Br 240690a_100020644852_100000185839 [0,1,0,0,0,1|1,1,0]=4 12600 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)Br 527a_100020644852_100000185839 [0,1,0,0,0,1|1,1,0]=4 12601 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)Cl 240690a_100020644852_100000210187 [0,1,0,0,0,1|1,0,0]=3 12602 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)Cl 527a_100020644852_100000210187 [0,1,0,0,0,1|1,0,0]=3 12603 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)F 240690a_100020644852_100000187176 [0,1,0,0,0,1|1,1,0]=4 12604 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)F 527a_100020644852_100000187176 [0,1,0,0,0,1|1,1,0]=4 12605 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)I 240690a_100020644852_100000187904 [0,1,0,0,0,1|1,1,0]=4 12606 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)I 527a_100020644852_100000187904 [0,1,0,0,0,1|1,1,0]=4 12607 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)O 240690a_100020644852_100000212099 [0,1,0,0,0,1|2,0,0]=4 12608 B15R1.132 O=C(NC[C@H](O)CO)c1ccc(cc1)O 527a_100020644852_100000212099 [0,1,0,0,0,1|2,0,0]=4 12609 B15R1.132 [2H]C(OCC(O)CC)c1ccc(cc1)F 34a_217856618577_100011218378 [0,1,0,0,0,1|1,1,0]=4 12610 B15R1.132 [2H]C(OCC(O)CC)c1ccc(cc1)F 7a_217856618577_100011218378 [0,1,0,0,0,1|1,1,0]=4 12611 B15R1.132 [2H]C(OCC(O)CO)c1ccc(cc1)F 34a_217856618577_100011219619 [0,1,0,0,0,1|0,1,0]=3 12612 B15R1.132 [2H]C(OCC(O)CO)c1ccc(cc1)F 7a_217856618577_100011219619 [0,1,0,0,0,1|0,1,0]=3 12613 B15R1.132 [2H]C(OC[C@@H](C)CO)c1ccc(cc1)F 34a_217856618577_100000059175 [0,1,0,0,0,1|1,1,0]=4 12614 B15R1.132 [2H]C(OC[C@@H](C)CO)c1ccc(cc1)F 7a_217856618577_100000059175 [0,1,0,0,0,1|1,1,0]=4 12615 B15R1.132 [2H]C(OC[C@@H](O)CF)c1ccc(cc1)F 34a_217856618577_100015614560 [0,1,0,0,0,1|1,1,0]=4 12616 B15R1.132 [2H]C(OC[C@@H](O)CF)c1ccc(cc1)F 7a_217856618577_100015614560 [0,1,0,0,0,1|1,1,0]=4 12617 B15R1.132 [2H]C(OC[C@@H](O)CO)c1ccc(cc1)F 34a_217856618577_100009815848 [0,1,0,0,0,1|0,1,0]=3 12618 B15R1.132 [2H]C(OC[C@@H](O)CO)c1ccc(cc1)F 7a_217856618577_100009815848 [0,1,0,0,0,1|0,1,0]=3 12619 B15R1.206 C#Cc1ccc(cc1)CNCC(O)CO 2230a_100015199678_100011219619 [0,1,0,0,0,1|2,0,0]=4 12620 B15R1.206 C#Cc1ccc(cc1)CNCC(O)CO 34a_100015199678_100011219619 [0,1,0,0,0,1|2,0,0]=4 12621 B15R1.206 C#Cc1ccc(cc1)CNC[C@@H](O)CO 2230a_100015199678_100009815848 [0,1,0,0,0,1|2,0,0]=4 12622 B15R1.206 C#Cc1ccc(cc1)CNC[C@@H](O)CO 34a_100015199678_100009815848 [0,1,0,0,0,1|2,0,0]=4 12623 B15R1.206 C#Cc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100011361452 [0,1,0,0,0,1|2,0,0]=4 12624 B15R1.206 C#Cc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000140223 [0,1,0,0,0,1|2,0,0]=4 12625 B15R1.206 C#Cc1ccc(cc1)COCC(O)CC 34a_100000054647_100011218378 [0,1,0,0,0,1|2,0,0]=4 12626 B15R1.206 C#Cc1ccc(cc1)COCC(O)CC 7a_100000054647_100011218378 [0,1,0,0,0,1|2,0,0]=4 12627 B15R1.206 C#Cc1ccc(cc1)COCC(O)CO 34a_100000054647_100011219619 [0,1,0,0,0,1|1,0,0]=3 12628 B15R1.206 C#Cc1ccc(cc1)COCC(O)CO 7a_100000054647_100011219619 [0,1,0,0,0,1|1,0,0]=3 12629 B15R1.206 C#Cc1ccc(cc1)COC[C@@H](C)CO 34a_100000054647_100000059175 [0,1,0,0,0,1|2,0,0]=4 12630 B15R1.206 C#Cc1ccc(cc1)COC[C@@H](C)CO 7a_100000054647_100000059175 [0,1,0,0,0,1|2,0,0]=4 12631 B15R1.206 C#Cc1ccc(cc1)COC[C@@H](O)CF 34a_100000054647_100015614560 [0,1,0,0,0,1|2,0,0]=4 12632 B15R1.206 C#Cc1ccc(cc1)COC[C@@H](O)CF 7a_100000054647_100015614560 [0,1,0,0,0,1|2,0,0]=4 12633 B15R1.206 C#Cc1ccc(cc1)COC[C@@H](O)CO 34a_100000054647_100009815848 [0,1,0,0,0,1|1,0,0]=3 12634 B15R1.206 C#Cc1ccc(cc1)COC[C@@H](O)CO 7a_100000054647_100009815848 [0,1,0,0,0,1|1,0,0]=3 12635 B15R1.206 C#Cc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000140223 [0,1,0,0,0,1|1,1,0]=4 12636 B15R1.206 C#Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000140223 [0,1,0,0,0,1|1,1,0]=4 12637 B15R1.206 C=CC(O)COCc1ccc(cc1)CCl 34a_100000067286_100000730141 [0,1,0,0,0,1|1,0,1]=4 12638 B15R1.206 C=CC(O)COCc1ccc(cc1)CCl 7a_100000067286_100000730141 [0,1,0,0,0,1|1,0,1]=4 12639 B15R1.206 C=Cc1ccc(cc1)CNCC(O)CO 34a_200011934891_100011219619 [0,1,0,0,0,1|2,0,0]=4 12640 B15R1.206 C=Cc1ccc(cc1)CNC[C@@H](O)CO 34a_200011934891_100009815848 [0,1,0,0,0,1|2,0,0]=4 12641 B15R1.206 C=Cc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000034074 [0,1,0,0,0,1|2,0,0]=4 12642 B15R1.206 C=Cc1ccc(cc1)COCC(O)CC 34a_100000073583_100011218378 [0,1,0,0,0,1|2,0,0]=4 12643 B15R1.206 C=Cc1ccc(cc1)COCC(O)CC 7a_100000073583_100011218378 [0,1,0,0,0,1|2,0,0]=4 12644 B15R1.206 C=Cc1ccc(cc1)COCC(O)CO 34a_100000073583_100011219619 [0,1,0,0,0,1|1,0,0]=3 12645 B15R1.206 C=Cc1ccc(cc1)COCC(O)CO 7a_100000073583_100011219619 [0,1,0,0,0,1|1,0,0]=3 12646 B15R1.206 C=Cc1ccc(cc1)COC[C@@H](C)CO 34a_100000073583_100000059175 [0,1,0,0,0,1|2,0,0]=4 12647 B15R1.206 C=Cc1ccc(cc1)COC[C@@H](C)CO 7a_100000073583_100000059175 [0,1,0,0,0,1|2,0,0]=4 12648 B15R1.206 C=Cc1ccc(cc1)COC[C@@H](O)CF 34a_100000073583_100015614560 [0,1,0,0,0,1|2,0,0]=4 12649 B15R1.206 C=Cc1ccc(cc1)COC[C@@H](O)CF 7a_100000073583_100015614560 [0,1,0,0,0,1|2,0,0]=4 12650 B15R1.206 C=Cc1ccc(cc1)COC[C@@H](O)CO 34a_100000073583_100009815848 [0,1,0,0,0,1|1,0,0]=3 12651 B15R1.206 C=Cc1ccc(cc1)COC[C@@H](O)CO 7a_100000073583_100009815848 [0,1,0,0,0,1|1,0,0]=3 12652 B15R1.206 C=Cc1ccc(cc1)CSCC(O)CO 62a_100000034074_100011219619 [0,1,0,0,0,1|1,1,0]=4 12653 B15R1.206 C=Cc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000034074 [0,1,0,0,0,1|1,1,0]=4 12654 B15R1.206 C=Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100000034074_100009815848 [0,1,0,0,0,1|1,1,0]=4 12655 B15R1.206 C=Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000034074 [0,1,0,0,0,1|1,1,0]=4 12656 B15R1.206 CCC(C)COCc1ccc(cc1)CCl 34a_100000067286_100000748023 [0,1,0,0,0,1|2,0,0]=4 12657 B15R1.206 CCC(C)COCc1ccc(cc1)CCl 7a_100000067286_100000748023 [0,1,0,0,0,1|2,0,0]=4 12658 B15R1.206 CCC(O)CNN=C1C=CC(=NCl)C=C1 4a_100015206393_100000088476 [0,1,0,0,0,1|2,0,0]=4 12659 B15R1.206 CCC(O)COCc1ccc(cc1)C#N 34a_100000238739_100011218378 [0,1,0,0,0,1|2,0,0]=4 12660 B15R1.206 CCC(O)COCc1ccc(cc1)C#N 7a_100000238739_100011218378 [0,1,0,0,0,1|2,0,0]=4 12661 B15R1.206 CCC(O)COCc1ccc(cc1)CBr 34a_100012353999_100011218378 [0,1,0,0,0,1|1,1,0]=4 12662 B15R1.206 CCC(O)COCc1ccc(cc1)CBr 7a_100012353999_100011218378 [0,1,0,0,0,1|1,1,0]=4 12663 B15R1.206 CCC(O)COCc1ccc(cc1)CCl 34a_100000067286_100011218378 [0,1,0,0,0,1|1,0,0]=3 12664 B15R1.206 CCC(O)COCc1ccc(cc1)CCl 7a_100000067286_100011218378 [0,1,0,0,0,1|1,0,0]=3 12665 B15R1.206 CCC(O)COCc1ccc(cc1)CN 34a_100015189231_100011218378 [0,1,0,0,0,1|2,0,0]=4 12666 B15R1.206 CCC(O)COCc1ccc(cc1)OC 34a_100000173359_100011218378 [0,1,0,0,0,1|2,0,0]=4 12667 B15R1.206 CCC(O)COCc1ccc(cc1)SC 34a_100011215404_100011218378 [0,1,0,0,0,1|2,0,0]=4 12668 B15R1.206 CCC(O)COCc1ccc(cc1)SC 7a_100011215404_100011218378 [0,1,0,0,0,1|2,0,0]=4 12669 B15R1.206 CC[C@H](C)COCc1ccc(cc1)CCl 34a_100000067286_100009816398 [0,1,0,0,0,1|2,0,0]=4 12670 B15R1.206 CC[C@H](C)COCc1ccc(cc1)CCl 7a_100000067286_100009816398 [0,1,0,0,0,1|2,0,0]=4 12671 B15R1.206 CCc1ccc(cc1)CNCC(O)CO 2230a_100000721222_100011219619 [0,1,0,0,0,1|2,0,0]=4 12672 B15R1.206 CCc1ccc(cc1)CNCC(O)CO 34a_100000721222_100011219619 [0,1,0,0,0,1|2,0,0]=4 12673 B15R1.206 CCc1ccc(cc1)CNC[C@@H](O)CO 2230a_100000721222_100009815848 [0,1,0,0,0,1|2,0,0]=4 12674 B15R1.206 CCc1ccc(cc1)CNC[C@@H](O)CO 34a_100000721222_100009815848 [0,1,0,0,0,1|2,0,0]=4 12675 B15R1.206 CCc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100000211036 [0,1,0,0,0,1|2,0,0]=4 12676 B15R1.206 CCc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000747183 [0,1,0,0,0,1|2,0,0]=4 12677 B15R1.206 CCc1ccc(cc1)COCC(O)CC 34a_100000702245_100011218378 [0,1,0,0,0,1|2,0,0]=4 12678 B15R1.206 CCc1ccc(cc1)COCC(O)CC 7a_100000702245_100011218378 [0,1,0,0,0,1|2,0,0]=4 12679 B15R1.206 CCc1ccc(cc1)COCC(O)CO 34a_100000702245_100011219619 [0,1,0,0,0,1|1,0,0]=3 12680 B15R1.206 CCc1ccc(cc1)COCC(O)CO 7a_100000702245_100011219619 [0,1,0,0,0,1|1,0,0]=3 12681 B15R1.206 CCc1ccc(cc1)COC[C@@H](C)CO 34a_100000702245_100000059175 [0,1,0,0,0,1|2,0,0]=4 12682 B15R1.206 CCc1ccc(cc1)COC[C@@H](C)CO 7a_100000702245_100000059175 [0,1,0,0,0,1|2,0,0]=4 12683 B15R1.206 CCc1ccc(cc1)COC[C@@H](O)CF 34a_100000702245_100015614560 [0,1,0,0,0,1|2,0,0]=4 12684 B15R1.206 CCc1ccc(cc1)COC[C@@H](O)CF 7a_100000702245_100015614560 [0,1,0,0,0,1|2,0,0]=4 12685 B15R1.206 CCc1ccc(cc1)COC[C@@H](O)CO 34a_100000702245_100009815848 [0,1,0,0,0,1|1,0,0]=3 12686 B15R1.206 CCc1ccc(cc1)COC[C@@H](O)CO 7a_100000702245_100009815848 [0,1,0,0,0,1|1,0,0]=3 12687 B15R1.206 CCc1ccc(cc1)CSCC(O)CO 62a_100000757233_100011219619 [0,1,0,0,0,1|1,1,0]=4 12688 B15R1.206 CCc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000747183 [0,1,0,0,0,1|1,1,0]=4 12689 B15R1.206 CCc1ccc(cc1)CSC[C@@H](O)CO 62a_100000757233_100009815848 [0,1,0,0,0,1|1,1,0]=4 12690 B15R1.206 CCc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000747183 [0,1,0,0,0,1|1,1,0]=4 12691 B15R1.206 CCc1ccc(nc1)COCC(O)CO 34a_100000068455_100011219619 [0,1,0,0,0,1|2,0,0]=4 12692 B15R1.206 CCc1ccc(nc1)COC[C@@H](O)CO 34a_100000068455_100009815848 [0,1,0,0,0,1|2,0,0]=4 12693 B15R1.206 COc1ccc(cc1)CNCC(O)CO 34a_100000185587_100011219619 [0,1,0,0,0,1|2,0,0]=4 12694 B15R1.206 COc1ccc(cc1)CNC[C@@H](O)CO 34a_100000185587_100009815848 [0,1,0,0,0,1|2,0,0]=4 12695 B15R1.206 COc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100000169835 [0,1,0,0,0,1|2,0,0]=4 12696 B15R1.206 COc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000742318 [0,1,0,0,0,1|2,0,0]=4 12697 B15R1.206 COc1ccc(cc1)COCC(O)CO 34a_100000173359_100011219619 [0,1,0,0,0,1|1,0,0]=3 12698 B15R1.206 COc1ccc(cc1)COC[C@@H](C)CO 34a_100000173359_100000059175 [0,1,0,0,0,1|2,0,0]=4 12699 B15R1.206 COc1ccc(cc1)COC[C@@H](O)CF 34a_100000173359_100015614560 [0,1,0,0,0,1|2,0,0]=4 12700 B15R1.206 COc1ccc(cc1)COC[C@@H](O)CO 34a_100000173359_100009815848 [0,1,0,0,0,1|1,0,0]=3 12701 B15R1.206 COc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000742318 [0,1,0,0,0,1|1,1,0]=4 12702 B15R1.206 COc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000742318 [0,1,0,0,0,1|1,1,0]=4 12703 B15R1.206 COc1ccc(cn1)COCC(O)CO 34a_100000763316_100011219619 [0,1,0,0,0,1|2,0,0]=4 12704 B15R1.206 COc1ccc(cn1)COC[C@@H](O)CO 34a_100000763316_100009815848 [0,1,0,0,0,1|2,0,0]=4 12705 B15R1.206 COc1ccc(nc1)COCC(O)CO 34a_100011998694_100011219619 [0,1,0,0,0,1|2,0,0]=4 12706 B15R1.206 COc1ccc(nc1)COC[C@@H](O)CO 34a_100011998694_100009815848 [0,1,0,0,0,1|2,0,0]=4 12707 B15R1.206 CSc1ccc(cc1)CNCC(O)CO 2230a_100000174980_100011219619 [0,1,0,0,0,1|2,0,0]=4 12708 B15R1.206 CSc1ccc(cc1)CNCC(O)CO 34a_100000174980_100011219619 [0,1,0,0,0,1|2,0,0]=4 12709 B15R1.206 CSc1ccc(cc1)CNC[C@@H](O)CO 2230a_100000174980_100009815848 [0,1,0,0,0,1|2,0,0]=4 12710 B15R1.206 CSc1ccc(cc1)CNC[C@@H](O)CO 34a_100000174980_100009815848 [0,1,0,0,0,1|2,0,0]=4 12711 B15R1.206 CSc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100000211154 [0,1,0,0,0,1|2,0,0]=4 12712 B15R1.206 CSc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000181263 [0,1,0,0,0,1|2,0,0]=4 12713 B15R1.206 CSc1ccc(cc1)COCC(O)CO 34a_100011215404_100011219619 [0,1,0,0,0,1|1,0,0]=3 12714 B15R1.206 CSc1ccc(cc1)COCC(O)CO 7a_100011215404_100011219619 [0,1,0,0,0,1|1,0,0]=3 12715 B15R1.206 CSc1ccc(cc1)COC[C@@H](C)CO 34a_100011215404_100000059175 [0,1,0,0,0,1|2,0,0]=4 12716 B15R1.206 CSc1ccc(cc1)COC[C@@H](C)CO 7a_100011215404_100000059175 [0,1,0,0,0,1|2,0,0]=4 12717 B15R1.206 CSc1ccc(cc1)COC[C@@H](O)CF 34a_100011215404_100015614560 [0,1,0,0,0,1|2,0,0]=4 12718 B15R1.206 CSc1ccc(cc1)COC[C@@H](O)CF 7a_100011215404_100015614560 [0,1,0,0,0,1|2,0,0]=4 12719 B15R1.206 CSc1ccc(cc1)COC[C@@H](O)CO 34a_100011215404_100009815848 [0,1,0,0,0,1|1,0,0]=3 12720 B15R1.206 CSc1ccc(cc1)COC[C@@H](O)CO 7a_100011215404_100009815848 [0,1,0,0,0,1|1,0,0]=3 12721 B15R1.206 CSc1ccc(cc1)CSCC(O)CO 62a_100000181263_100011219619 [0,1,0,0,0,1|1,1,0]=4 12722 B15R1.206 CSc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000181263 [0,1,0,0,0,1|1,1,0]=4 12723 B15R1.206 CSc1ccc(cc1)CSC[C@@H](O)CO 62a_100000181263_100009815848 [0,1,0,0,0,1|1,1,0]=4 12724 B15R1.206 CSc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000181263 [0,1,0,0,0,1|1,1,0]=4 12725 B15R1.206 C[C@@H](CO)COCc1ccc(cc1)C#N 34a_100000238739_100000059175 [0,1,0,0,0,1|2,0,0]=4 12726 B15R1.206 C[C@@H](CO)COCc1ccc(cc1)C#N 7a_100000238739_100000059175 [0,1,0,0,0,1|2,0,0]=4 12727 B15R1.206 C[C@@H](CO)COCc1ccc(cc1)CBr 34a_100012353999_100000059175 [0,1,0,0,0,1|1,1,0]=4 12728 B15R1.206 C[C@@H](CO)COCc1ccc(cc1)CBr 7a_100012353999_100000059175 [0,1,0,0,0,1|1,1,0]=4 12729 B15R1.206 C[C@@H](CO)COCc1ccc(cc1)CCl 34a_100000067286_100000059175 [0,1,0,0,0,1|1,0,0]=3 12730 B15R1.206 C[C@@H](CO)COCc1ccc(cc1)CCl 7a_100000067286_100000059175 [0,1,0,0,0,1|1,0,0]=3 12731 B15R1.206 C[C@@H](CO)COCc1ccc(cc1)CN 34a_100015189231_100000059175 [0,1,0,0,0,1|2,0,0]=4 12732 B15R1.206 N#Cc1ccc(cc1)CNCC(O)CO 34a_100015207190_100011219619 [0,1,0,0,0,1|2,0,0]=4 12733 B15R1.206 N#Cc1ccc(cc1)CNC[C@@H](O)CO 34a_100015207190_100009815848 [0,1,0,0,0,1|2,0,0]=4 12734 B15R1.206 N#Cc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100000211122 [0,1,0,0,0,1|2,0,0]=4 12735 B15R1.206 N#Cc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000184898 [0,1,0,0,0,1|2,0,0]=4 12736 B15R1.206 N#Cc1ccc(cc1)COCC(O)CO 34a_100000238739_100011219619 [0,1,0,0,0,1|1,0,0]=3 12737 B15R1.206 N#Cc1ccc(cc1)COCC(O)CO 7a_100000238739_100011219619 [0,1,0,0,0,1|1,0,0]=3 12738 B15R1.206 N#Cc1ccc(cc1)COC[C@@H](O)CF 34a_100000238739_100015614560 [0,1,0,0,0,1|2,0,0]=4 12739 B15R1.206 N#Cc1ccc(cc1)COC[C@@H](O)CF 7a_100000238739_100015614560 [0,1,0,0,0,1|2,0,0]=4 12740 B15R1.206 N#Cc1ccc(cc1)COC[C@@H](O)CO 34a_100000238739_100009815848 [0,1,0,0,0,1|1,0,0]=3 12741 B15R1.206 N#Cc1ccc(cc1)COC[C@@H](O)CO 7a_100000238739_100009815848 [0,1,0,0,0,1|1,0,0]=3 12742 B15R1.206 N#Cc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000184898 [0,1,0,0,0,1|1,1,0]=4 12743 B15R1.206 N#Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000184898 [0,1,0,0,0,1|1,1,0]=4 12744 B15R1.206 N#Cc1ccc(cn1)COCC(O)CO 34a_100000090650_100011219619 [0,1,0,0,0,1|2,0,0]=4 12745 B15R1.206 N#Cc1ccc(cn1)COCC(O)CO 7a_100000090650_100011219619 [0,1,0,0,0,1|2,0,0]=4 12746 B15R1.206 N#Cc1ccc(cn1)COC[C@@H](O)CO 34a_100000090650_100009815848 [0,1,0,0,0,1|2,0,0]=4 12747 B15R1.206 N#Cc1ccc(cn1)COC[C@@H](O)CO 7a_100000090650_100009815848 [0,1,0,0,0,1|2,0,0]=4 12748 B15R1.206 N#Cc1ccc(nc1)COCC(O)CO 34a_100000101912_100011219619 [0,1,0,0,0,1|2,0,0]=4 12749 B15R1.206 N#Cc1ccc(nc1)COC[C@@H](O)CO 34a_100000101912_100009815848 [0,1,0,0,0,1|2,0,0]=4 12750 B15R1.206 NCc1ccc(cc1)COCC(O)CO 34a_100015189231_100011219619 [0,1,0,0,0,1|1,0,0]=3 12751 B15R1.206 NCc1ccc(cc1)COC[C@@H](O)CF 34a_100015189231_100015614560 [0,1,0,0,0,1|2,0,0]=4 12752 B15R1.206 NCc1ccc(cc1)COC[C@@H](O)CO 34a_100015189231_100009815848 [0,1,0,0,0,1|1,0,0]=3 12753 B15R1.206 O=Cc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100009816848 [0,1,0,0,0,1|2,0,0]=4 12754 B15R1.206 O=Cc1ccc(cc1)CSCC(O)CO 62a_100009816848_100011219619 [0,1,0,0,0,1|1,1,0]=4 12755 B15R1.206 O=Cc1ccc(cc1)CSCC(O)CO 62a_100011219619_100009816848 [0,1,0,0,0,1|1,1,0]=4 12756 B15R1.206 O=Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100009816848 [0,1,0,0,0,1|1,1,0]=4 12757 B15R1.206 O=Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009816848_100009815848 [0,1,0,0,0,1|1,1,0]=4 12758 B15R1.206 OCC(O)COCc1ccc(cc1)CBr 34a_100012353999_100011219619 [0,1,0,0,0,1|0,1,0]=3 12759 B15R1.206 OCC(O)COCc1ccc(cc1)CBr 7a_100012353999_100011219619 [0,1,0,0,0,1|0,1,0]=3 12760 B15R1.206 OCC(O)COCc1ccc(cc1)CCl 34a_100000067286_100011219619 [0,1,0,0,0,1|0,0,0]=2 12761 B15R1.206 OCC(O)COCc1ccc(cc1)CCl 7a_100000067286_100011219619 [0,1,0,0,0,1|0,0,0]=2 12762 B15R1.206 OC[C@H](O)COCc1ccc(cc1)CBr 34a_100012353999_100009815848 [0,1,0,0,0,1|0,1,0]=3 12763 B15R1.206 OC[C@H](O)COCc1ccc(cc1)CBr 7a_100012353999_100009815848 [0,1,0,0,0,1|0,1,0]=3 12764 B15R1.206 OC[C@H](O)COCc1ccc(cc1)CCl 34a_100000067286_100009815848 [0,1,0,0,0,1|0,0,0]=2 12765 B15R1.206 OC[C@H](O)COCc1ccc(cc1)CCl 7a_100000067286_100009815848 [0,1,0,0,0,1|0,0,0]=2 12766 B15R1.206 OCc1ccc(cc1)CNCC(O)CO 2230a_100015189231_100011219619 [0,1,0,0,0,1|2,0,0]=4 12767 B15R1.206 OCc1ccc(cc1)CNCC(O)CO 34a_100015189231_100011219619 [0,1,0,0,0,1|2,0,0]=4 12768 B15R1.206 OCc1ccc(cc1)CNC[C@@H](O)CO 2230a_100015189231_100009815848 [0,1,0,0,0,1|2,0,0]=4 12769 B15R1.206 OCc1ccc(cc1)CNC[C@@H](O)CO 34a_100015189231_100009815848 [0,1,0,0,0,1|2,0,0]=4 12770 B15R1.206 OCc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100009832023 [0,1,0,0,0,1|2,0,0]=4 12771 B15R1.206 OCc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000067286 [0,1,0,0,0,1|2,0,0]=4 12772 B15R1.206 OCc1ccc(cc1)CSCC(O)CO 62a_100000067286_100011219619 [0,1,0,0,0,1|1,1,0]=4 12773 B15R1.206 OCc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000067286 [0,1,0,0,0,1|1,1,0]=4 12774 B15R1.206 OCc1ccc(cc1)CSC[C@@H](O)CO 62a_100000067286_100009815848 [0,1,0,0,0,1|1,1,0]=4 12775 B15R1.206 OCc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000067286 [0,1,0,0,0,1|1,1,0]=4 12776 B15R1.206 O[C@@H](CF)COCc1ccc(cc1)CBr 34a_100012353999_100015614560 [0,1,0,0,0,1|1,1,0]=4 12777 B15R1.206 O[C@@H](CF)COCc1ccc(cc1)CBr 7a_100012353999_100015614560 [0,1,0,0,0,1|1,1,0]=4 12778 B15R1.206 O[C@@H](CF)COCc1ccc(cc1)CCl 34a_100000067286_100015614560 [0,1,0,0,0,1|1,0,0]=3 12779 B15R1.206 O[C@@H](CF)COCc1ccc(cc1)CCl 7a_100000067286_100015614560 [0,1,0,0,0,1|1,0,0]=3 12780 B15R1.981 CC(Cc1ccc(cc1)Cl)N[C@H](C)CO 270004a_100000737577_100000747806 [0,1,0,0,0,1|2,0,0]=4 12781 B15R1.981 CCC(O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100011218378 [0,1,0,0,0,1|2,0,0]=4 12782 B15R1.981 CCC(O)CC(=O)Cc1ccc(cc1)Cl 1458a_100011667805_100000694040 [0,1,0,0,0,1|2,0,0]=4 12783 B15R1.981 CCC(O)CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011667805 [0,1,0,0,0,1|2,0,0]=4 12784 B15R1.981 CCC(O)CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011667805 [0,1,0,0,0,1|2,0,0]=4 12785 B15R1.981 CCC(O)CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100011218378 [0,1,0,0,0,1|2,0,0]=4 12786 B15R1.981 CCC(O)CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100011218378 [0,1,0,0,0,1|2,0,0]=4 12787 B15R1.981 CCC(O)CN(C)Cc1ccc(cc1)Cl 34a_100000184517_100011218378 [0,1,0,0,0,1|2,0,0]=4 12788 B15R1.981 CN(Cc1ccc(cc1)Br)CC(O)CO 2230a_100000180866_100011219619 [0,1,0,0,0,1|1,1,0]=4 12789 B15R1.981 CN(Cc1ccc(cc1)Br)CC(O)CO 2230a_100011216503_100011217064 [0,1,0,0,0,1|1,1,0]=4 12790 B15R1.981 CN(Cc1ccc(cc1)Br)CC(O)CO 269982a_100011216503_100011217064 [0,1,0,0,0,1|1,1,0]=4 12791 B15R1.981 CN(Cc1ccc(cc1)Br)CC(O)CO 26a_100011216503_100000185759 [0,1,0,0,0,1|1,1,0]=4 12792 B15R1.981 CN(Cc1ccc(cc1)Br)CC(O)CO 270004a_100011216503_100000186029 [0,1,0,0,0,1|1,1,0]=4 12793 B15R1.981 CN(Cc1ccc(cc1)Br)C[C@@H](O)CO 2230a_100000180866_100009815848 [0,1,0,0,0,1|1,1,0]=4 12794 B15R1.981 CN(Cc1ccc(cc1)Cl)CC(O)CO 2230a_100000184517_100011219619 [0,1,0,0,0,1|1,0,0]=3 12795 B15R1.981 CN(Cc1ccc(cc1)Cl)CC(O)CO 2230a_100011216503_100000694040 [0,1,0,0,0,1|1,0,0]=3 12796 B15R1.981 CN(Cc1ccc(cc1)Cl)CC(O)CO 269982a_100011216503_100000187161 [0,1,0,0,0,1|1,0,0]=3 12797 B15R1.981 CN(Cc1ccc(cc1)Cl)CC(O)CO 270004a_100011216503_100000189385 [0,1,0,0,0,1|1,0,0]=3 12798 B15R1.981 CN(Cc1ccc(cc1)Cl)CC(O)CO 34a_100000184517_100011219619 [0,1,0,0,0,1|1,0,0]=3 12799 B15R1.981 CN(Cc1ccc(cc1)Cl)C[C@@H](O)CF 2230a_100000184517_100015614560 [0,1,0,0,0,1|2,0,0]=4 12800 B15R1.981 CN(Cc1ccc(cc1)Cl)C[C@@H](O)CF 34a_100000184517_100015614560 [0,1,0,0,0,1|2,0,0]=4 12801 B15R1.981 CN(Cc1ccc(cc1)Cl)C[C@@H](O)CO 2230a_100000184517_100009815848 [0,1,0,0,0,1|1,0,0]=3 12802 B15R1.981 CN(Cc1ccc(cc1)Cl)C[C@@H](O)CO 34a_100000184517_100009815848 [0,1,0,0,0,1|1,0,0]=3 12803 B15R1.981 CN(Cc1ccc(cc1)F)CC(O)CO 2230a_100000184576_100011219619 [0,1,0,0,0,1|1,1,0]=4 12804 B15R1.981 CN(Cc1ccc(cc1)F)CC(O)CO 2230a_100011216503_100000198546 [0,1,0,0,0,1|1,1,0]=4 12805 B15R1.981 CN(Cc1ccc(cc1)F)CC(O)CO 269982a_100011216503_100000198546 [0,1,0,0,0,1|1,1,0]=4 12806 B15R1.981 CN(Cc1ccc(cc1)F)CC(O)CO 270004a_100011216503_100000210084 [0,1,0,0,0,1|1,1,0]=4 12807 B15R1.981 CN(Cc1ccc(cc1)F)CC(O)CO 34a_100000184576_100011219619 [0,1,0,0,0,1|1,1,0]=4 12808 B15R1.981 CN(Cc1ccc(cc1)F)C[C@@H](O)CO 2230a_100000184576_100009815848 [0,1,0,0,0,1|1,1,0]=4 12809 B15R1.981 CN(Cc1ccc(cc1)F)C[C@@H](O)CO 34a_100000184576_100009815848 [0,1,0,0,0,1|1,1,0]=4 12810 B15R1.981 CN(Cc1ccc(cc1)I)CC(O)CO 2230a_100011216503_100000189116 [0,1,0,0,0,1|1,1,0]=4 12811 B15R1.981 CN(Cc1ccc(cc1)I)CC(O)CO 269982a_100011216503_100000189116 [0,1,0,0,0,1|1,1,0]=4 12812 B15R1.981 CN(Cc1ccc(cc1)O)CC(O)CO 2230a_100000207500_100011219619 [0,1,0,0,0,1|2,0,0]=4 12813 B15R1.981 CN(Cc1ccc(cc1)O)C[C@@H](O)CO 2230a_100000207500_100009815848 [0,1,0,0,0,1|2,0,0]=4 12814 B15R1.981 CN(Cc1ccc(cn1)Cl)CC(O)CO 2230a_100011216503_100012066911 [0,1,0,0,0,1|2,0,0]=4 12815 B15R1.981 CN(Cc1ccc(cn1)Cl)CC(O)CO 269982a_100011216503_100000697101 [0,1,0,0,0,1|2,0,0]=4 12816 B15R1.981 CN(Cc1ccc(cn1)Cl)CC(O)CO 270004a_100011216503_100011361569 [0,1,0,0,0,1|2,0,0]=4 12817 B15R1.981 CN(Cc1ccc(nc1)Cl)CC(O)CO 2230a_100000026953_100011219619 [0,1,0,0,0,1|2,0,0]=4 12818 B15R1.981 CN(Cc1ccc(nc1)Cl)CC(O)CO 2230a_100011216503_100000735431 [0,1,0,0,0,1|2,0,0]=4 12819 B15R1.981 CN(Cc1ccc(nc1)Cl)CC(O)CO 269982a_100011216503_100000735431 [0,1,0,0,0,1|2,0,0]=4 12820 B15R1.981 CN(Cc1ccc(nc1)Cl)CC(O)CO 34a_100000026953_100011219619 [0,1,0,0,0,1|2,0,0]=4 12821 B15R1.981 CN(Cc1ccc(nc1)Cl)C[C@@H](O)CO 2230a_100000026953_100009815848 [0,1,0,0,0,1|2,0,0]=4 12822 B15R1.981 CN(Cc1ccc(nc1)Cl)C[C@@H](O)CO 34a_100000026953_100009815848 [0,1,0,0,0,1|2,0,0]=4 12823 B15R1.981 C[C@@H](CO)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000059175 [0,1,0,0,0,1|2,0,0]=4 12824 B15R1.981 C[C@@H](CO)CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000059175 [0,1,0,0,0,1|2,0,0]=4 12825 B15R1.981 C[C@@H](CO)CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000059175 [0,1,0,0,0,1|2,0,0]=4 12826 B15R1.981 C[C@@H](CO)CN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000059175 [0,1,0,0,0,1|2,0,0]=4 12827 B15R1.981 Cc1ccc(cc1)CN(C)CC(O)CO 2230a_100000744650_100011219619 [0,1,0,0,0,1|2,0,0]=4 12828 B15R1.981 Cc1ccc(cc1)CN(C)CC(O)CO 2230a_100011216503_100000210814 [0,1,0,0,0,1|2,0,0]=4 12829 B15R1.981 Cc1ccc(cc1)CN(C)CC(O)CO 269982a_100011216503_100000210814 [0,1,0,0,0,1|2,0,0]=4 12830 B15R1.981 Cc1ccc(cc1)CN(C)CC(O)CO 26a_100011216503_200020625495 [0,1,0,0,0,1|2,0,0]=4 12831 B15R1.981 Cc1ccc(cc1)CN(C)CC(O)CO 270004a_100011216503_100000211033 [0,1,0,0,0,1|2,0,0]=4 12832 B15R1.981 Cc1ccc(cc1)CN(C)CC(O)CO 34a_100000744650_100011219619 [0,1,0,0,0,1|2,0,0]=4 12833 B15R1.981 Cc1ccc(cc1)CN(C)C[C@@H](O)CO 2230a_100000744650_100009815848 [0,1,0,0,0,1|2,0,0]=4 12834 B15R1.981 Cc1ccc(cc1)CN(C)C[C@@H](O)CO 34a_100000744650_100009815848 [0,1,0,0,0,1|2,0,0]=4 12835 B15R1.1001 CC(CO)N(C)CCc1ccc(cc1)Cl 2230a_100000693034_100011713675 [0,1,0,0,0,1|2,0,0]=4 12836 B15R1.1001 CC(CO)N(C)CCc1ccc(cc1)Cl 2230a_100000698262_100012180447 [0,1,0,0,0,1|2,0,0]=4 12837 B15R1.1001 CC(CO)N(C)CCc1ccc(cc1)Cl 269982a_100000693034_100011713675 [0,1,0,0,0,1|2,0,0]=4 12838 B15R1.1001 CC(CO)N(C)CCc1ccc(cc1)Cl 34a_100000698262_100012180447 [0,1,0,0,0,1|2,0,0]=4 12839 B15R1.1001 CCC(C)C(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000758301 [0,1,0,0,0,1|2,0,0]=4 12840 B15R1.1001 CCC(C)C(C)OCc1ccc(cc1)Cl 7a_100011215189_100000187161 [0,1,0,0,0,1|2,0,0]=4 12841 B15R1.1001 CCC(O)C(=O)CCc1ccc(cc1)Cl 1458a_100011196387_100011713675 [0,1,0,0,0,1|2,0,0]=4 12842 B15R1.1001 C[C@H](CO)N(C)CCc1ccc(cc1)Cl 269982a_100000698262_100016084084 [0,1,0,0,0,1|2,0,0]=4 12843 B15R1.1001 Cc1ccc(cc1)CCC(=O)C(O)CO 1458a_100011215603_100011713686 [0,1,0,0,0,1|2,0,0]=4 12844 B15R1.1001 O=C(CCc1ccc(cc1)Br)C(O)CO 1458a_100011215603_100011740612 [0,1,0,0,0,1|1,1,0]=4 12845 B15R1.1001 O=C(CCc1ccc(cc1)Cl)C(O)CO 1458a_100011215603_100011713675 [0,1,0,0,0,1|1,0,0]=3 12846 B15R1.1001 O=C(CCc1ccc(cc1)F)C(O)CO 1458a_100011215603_100011217392 [0,1,0,0,0,1|1,1,0]=4 12847 B15R1.1001 O=C(CCc1ccc(cc1)O)C(O)CO 1458a_100011215603_100009816426 [0,1,0,0,0,1|2,0,0]=4 12848 B15R1.1001 O=C(NCc1ccc(cc1)Cl)C(O)CO 240690a_100000174871_100011215603 [0,1,0,0,0,1|1,0,1]=4 12849 B15R1.1001 O=C(NNc1ccc(cc1)Cl)C(O)CO 22a_100000683521_100011215603 [0,1,0,0,0,1|1,0,1]=4 12850 B15R1.3836 C=CC(O)COCc1ccc(cc1Br)Cl 34a_100000707881_100000730141 [0,1,0,0,0,1|1,0,1]=4 12851 B15R1.3836 C=CC(O)COCc1ccc(cc1Br)Cl 7a_100000707881_100000730141 [0,1,0,0,0,1|1,0,1]=4 12852 B15R1.3836 C=CC(O)COCc1ccc(cc1C)Cl 34a_100000702939_100000730141 [0,1,0,0,0,1|1,0,1]=4 12853 B15R1.3836 C=CC(O)COCc1ccc(cc1C)Cl 7a_100000702939_100000730141 [0,1,0,0,0,1|1,0,1]=4 12854 B15R1.3836 C=CC(O)COCc1ccc(cc1Cl)Cl 34a_100000215721_100000730141 [0,1,0,0,0,1|1,0,1]=4 12855 B15R1.3836 C=CC(O)COCc1ccc(cc1Cl)Cl 7a_100000215721_100000730141 [0,1,0,0,0,1|1,0,1]=4 12856 B15R1.3836 C=CC(O)COCc1ccc(cc1F)Cl 34a_100011217562_100000730141 [0,1,0,0,0,1|1,0,1]=4 12857 B15R1.3836 C=CC(O)COCc1ccc(cc1F)Cl 7a_100011217562_100000730141 [0,1,0,0,0,1|1,0,1]=4 12858 B15R1.3836 C=CC(O)COCc1ccc(cc1I)Cl 34a_100000722340_100000730141 [0,1,0,0,0,1|1,0,1]=4 12859 B15R1.3836 C=CC(O)COCc1ccc(cc1I)Cl 7a_100000722340_100000730141 [0,1,0,0,0,1|1,0,1]=4 12860 B15R1.3836 C=CC(O)COCc1ccc(cc1N)Cl 34a_100000238622_100000730141 [0,1,0,0,0,1|1,0,1]=4 12861 B15R1.3836 C=CC(O)COCc1ccc(cc1N)Cl 7a_100000238622_100000730141 [0,1,0,0,0,1|1,0,1]=4 12862 B15R1.3836 CC(CN)COCc1ccc(cc1Br)Cl 34a_100000744482_100000755608 [0,1,0,0,0,1|2,0,0]=4 12863 B15R1.3836 CC(CN)COCc1ccc(cc1Cl)Cl 34a_100000744482_100000188473 [0,1,0,0,0,1|2,0,0]=4 12864 B15R1.3836 CC(CN)COCc1ccc(cc1F)Cl 34a_100000744482_100000709361 [0,1,0,0,0,1|2,0,0]=4 12865 B15R1.3836 CC(CN)COCc1ccc(cc1I)Cl 34a_100000744482_100010254388 [0,1,0,0,0,1|2,0,0]=4 12866 B15R1.3836 CC(CO)CNCc1ccc(cc1Br)Cl 207a_100000744482_100000687667 [0,1,0,0,0,1|2,0,0]=4 12867 B15R1.3836 CC(CO)CNCc1ccc(cc1Br)Cl 34a_100000744482_100000755608 [0,1,0,0,0,1|2,0,0]=4 12868 B15R1.3836 CC(CO)CNCc1ccc(cc1Cl)Cl 207a_100000744482_100000188887 [0,1,0,0,0,1|2,0,0]=4 12869 B15R1.3836 CC(CO)CNCc1ccc(cc1Cl)Cl 34a_100000744482_100000188473 [0,1,0,0,0,1|2,0,0]=4 12870 B15R1.3836 CC(CO)CNCc1ccc(cc1F)Cl 207a_100000744482_100000697372 [0,1,0,0,0,1|2,0,0]=4 12871 B15R1.3836 CC(CO)CNCc1ccc(cc1F)Cl 34a_100000744482_100000709361 [0,1,0,0,0,1|2,0,0]=4 12872 B15R1.3836 CC(CO)CNCc1ccc(cc1I)Cl 34a_100000744482_100010254388 [0,1,0,0,0,1|2,0,0]=4 12873 B15R1.3836 CC(CO)NCCc1ccc(cc1Cl)Cl 2230a_100000210994_100012180447 [0,1,0,0,0,1|2,0,0]=4 12874 B15R1.3836 CC(CO)NCCc1ccc(cc1Cl)Cl 34a_100000210994_100012180447 [0,1,0,0,0,1|2,0,0]=4 12875 B15R1.3836 CC(CO)NCCc1ccc(cc1F)Cl 2230a_103496529009_100012180447 [0,1,0,0,0,1|2,0,0]=4 12876 B15R1.3836 CC(CO)NCCc1ccc(cc1F)Cl 34a_103496529009_100012180447 [0,1,0,0,0,1|2,0,0]=4 12877 B15R1.3836 CC(CO)OCCc1ccc(cc1Cl)Cl 34a_100011215701_100012180447 [0,1,0,0,0,1|2,0,0]=4 12878 B15R1.3836 CC(CO)OCCc1ccc(cc1Cl)Cl 7a_100011215701_100012180447 [0,1,0,0,0,1|2,0,0]=4 12879 B15R1.3836 CC(CO)SCCc1ccc(cc1Br)Cl 62a_100012180447_200012945151 [0,1,0,0,0,1|2,0,0]=4 12880 B15R1.3836 CC(CO)SCCc1ccc(cc1Cl)Cl 62a_100012180447_200012161198 [0,1,0,0,0,1|2,0,0]=4 12881 B15R1.3836 CCC(C)COCc1ccc(cc1Br)Cl 34a_100000707881_100000748023 [0,1,0,0,0,1|2,0,0]=4 12882 B15R1.3836 CCC(C)COCc1ccc(cc1Br)Cl 7a_100000707881_100000748023 [0,1,0,0,0,1|2,0,0]=4 12883 B15R1.3836 CCC(C)COCc1ccc(cc1C)Cl 34a_100000702939_100000748023 [0,1,0,0,0,1|2,0,0]=4 12884 B15R1.3836 CCC(C)COCc1ccc(cc1C)Cl 7a_100000702939_100000748023 [0,1,0,0,0,1|2,0,0]=4 12885 B15R1.3836 CCC(C)COCc1ccc(cc1Cl)Cl 34a_100000215721_100000748023 [0,1,0,0,0,1|2,0,0]=4 12886 B15R1.3836 CCC(C)COCc1ccc(cc1Cl)Cl 7a_100000215721_100000748023 [0,1,0,0,0,1|2,0,0]=4 12887 B15R1.3836 CCC(C)COCc1ccc(cc1F)Cl 34a_100011217562_100000748023 [0,1,0,0,0,1|2,0,0]=4 12888 B15R1.3836 CCC(C)COCc1ccc(cc1F)Cl 7a_100011217562_100000748023 [0,1,0,0,0,1|2,0,0]=4 12889 B15R1.3836 CCC(C)COCc1ccc(cc1I)Cl 34a_100000722340_100000748023 [0,1,0,0,0,1|2,0,0]=4 12890 B15R1.3836 CCC(C)COCc1ccc(cc1I)Cl 7a_100000722340_100000748023 [0,1,0,0,0,1|2,0,0]=4 12891 B15R1.3836 CCC(C)COCc1ccc(cc1N)Cl 34a_100000238622_100000748023 [0,1,0,0,0,1|2,0,0]=4 12892 B15R1.3836 CCC(C)COCc1ccc(cc1N)Cl 7a_100000238622_100000748023 [0,1,0,0,0,1|2,0,0]=4 12893 B15R1.3836 CCC(O)CNCc1ccc(cc1Br)Cl 207a_100011218483_100000687667 [0,1,0,0,0,1|2,0,0]=4 12894 B15R1.3836 CCC(O)CNCc1ccc(cc1Br)Cl 2230a_100011218483_100000755608 [0,1,0,0,0,1|2,0,0]=4 12895 B15R1.3836 CCC(O)CNCc1ccc(cc1Br)Cl 270004a_100011218483_100000687667 [0,1,0,0,0,1|2,0,0]=4 12896 B15R1.3836 CCC(O)CNCc1ccc(cc1Br)Cl 34a_100102692131_100011218378 [0,1,0,0,0,1|2,0,0]=4 12897 B15R1.3836 CCC(O)CNCc1ccc(cc1C)Cl 207a_100011218483_100000766358 [0,1,0,0,0,1|2,0,0]=4 12898 B15R1.3836 CCC(O)CNCc1ccc(cc1C)Cl 2230a_100011218483_100012361307 [0,1,0,0,0,1|2,0,0]=4 12899 B15R1.3836 CCC(O)CNCc1ccc(cc1C)Cl 270004a_100011218483_100000766358 [0,1,0,0,0,1|2,0,0]=4 12900 B15R1.3836 CCC(O)CNCc1ccc(cc1C)Cl 34a_103436540063_100011218378 [0,1,0,0,0,1|2,0,0]=4 12901 B15R1.3836 CCC(O)CNCc1ccc(cc1Cl)Cl 207a_100011218483_100000188887 [0,1,0,0,0,1|2,0,0]=4 12902 B15R1.3836 CCC(O)CNCc1ccc(cc1Cl)Cl 2230a_100011218483_100000188473 [0,1,0,0,0,1|2,0,0]=4 12903 B15R1.3836 CCC(O)CNCc1ccc(cc1Cl)Cl 270004a_100011218483_100000188887 [0,1,0,0,0,1|2,0,0]=4 12904 B15R1.3836 CCC(O)CNCc1ccc(cc1Cl)Cl 34a_100000174880_100011218378 [0,1,0,0,0,1|2,0,0]=4 12905 B15R1.3836 CCC(O)CNCc1ccc(cc1F)Cl 207a_100011218483_100000697372 [0,1,0,0,0,1|2,0,0]=4 12906 B15R1.3836 CCC(O)CNCc1ccc(cc1F)Cl 2230a_100011218483_100000709361 [0,1,0,0,0,1|2,0,0]=4 12907 B15R1.3836 CCC(O)CNCc1ccc(cc1F)Cl 270004a_100011218483_100000697372 [0,1,0,0,0,1|2,0,0]=4 12908 B15R1.3836 CCC(O)CNCc1ccc(cc1F)Cl 34a_100000708496_100011218378 [0,1,0,0,0,1|2,0,0]=4 12909 B15R1.3836 CCC(O)CNCc1ccc(cc1I)Cl 2230a_100011218483_100010254388 [0,1,0,0,0,1|2,0,0]=4 12910 B15R1.3836 CCC(O)COCc1ccc(cc1Br)Br 34a_100012357508_100011218378 [0,1,0,0,0,1|1,1,0]=4 12911 B15R1.3836 CCC(O)COCc1ccc(cc1Br)Br 7a_100012357508_100011218378 [0,1,0,0,0,1|1,1,0]=4 12912 B15R1.3836 CCC(O)COCc1ccc(cc1Br)Cl 34a_100000707881_100011218378 [0,1,0,0,0,1|1,0,0]=3 12913 B15R1.3836 CCC(O)COCc1ccc(cc1Br)Cl 7a_100000707881_100011218378 [0,1,0,0,0,1|1,0,0]=3 12914 B15R1.3836 CCC(O)COCc1ccc(cc1Br)F 34a_100000744086_100011218378 [0,1,0,0,0,1|1,1,0]=4 12915 B15R1.3836 CCC(O)COCc1ccc(cc1Br)F 7a_100000744086_100011218378 [0,1,0,0,0,1|1,1,0]=4 12916 B15R1.3836 CCC(O)COCc1ccc(cc1Br)I 7a_100010240206_100011218378 [0,1,0,0,0,1|1,1,0]=4 12917 B15R1.3836 CCC(O)COCc1ccc(cc1C)Br 34a_100000748258_100011218378 [0,1,0,0,0,1|1,1,0]=4 12918 B15R1.3836 CCC(O)COCc1ccc(cc1C)Br 7a_100000748258_100011218378 [0,1,0,0,0,1|1,1,0]=4 12919 B15R1.3836 CCC(O)COCc1ccc(cc1C)C 34a_100011215341_100011218378 [0,1,0,0,0,1|2,0,0]=4 12920 B15R1.3836 CCC(O)COCc1ccc(cc1C)C 7a_100011215341_100011218378 [0,1,0,0,0,1|2,0,0]=4 12921 B15R1.3836 CCC(O)COCc1ccc(cc1C)Cl 34a_100000702939_100011218378 [0,1,0,0,0,1|1,0,0]=3 12922 B15R1.3836 CCC(O)COCc1ccc(cc1C)Cl 7a_100000702939_100011218378 [0,1,0,0,0,1|1,0,0]=3 12923 B15R1.3836 CCC(O)COCc1ccc(cc1C)F 34a_100000700136_100011218378 [0,1,0,0,0,1|1,1,0]=4 12924 B15R1.3836 CCC(O)COCc1ccc(cc1C)F 7a_100000700136_100011218378 [0,1,0,0,0,1|1,1,0]=4 12925 B15R1.3836 CCC(O)COCc1ccc(cc1C)N 34a_100000102464_100011218378 [0,1,0,0,0,1|2,0,0]=4 12926 B15R1.3836 CCC(O)COCc1ccc(cc1C)N 7a_100000102464_100011218378 [0,1,0,0,0,1|2,0,0]=4 12927 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)Br 34a_100000756401_100011218378 [0,1,0,0,0,1|1,1,0]=4 12928 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)Br 7a_100000756401_100011218378 [0,1,0,0,0,1|1,1,0]=4 12929 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)C 34a_100000720314_100011218378 [0,1,0,0,0,1|2,0,0]=4 12930 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)C 7a_100000720314_100011218378 [0,1,0,0,0,1|2,0,0]=4 12931 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)Cl 34a_100000215721_100011218378 [0,1,0,0,0,1|1,0,0]=3 12932 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)Cl 7a_100000215721_100011218378 [0,1,0,0,0,1|1,0,0]=3 12933 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)F 34a_100011219954_100011218378 [0,1,0,0,0,1|1,1,0]=4 12934 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)F 7a_100011219954_100011218378 [0,1,0,0,0,1|1,1,0]=4 12935 B15R1.3836 CCC(O)COCc1ccc(cc1Cl)N 34a_100000689119_100011218378 [0,1,0,0,0,1|2,0,0]=4 12936 B15R1.3836 CCC(O)COCc1ccc(cc1F)Br 34a_100011191541_100011218378 [0,1,0,0,0,1|1,1,0]=4 12937 B15R1.3836 CCC(O)COCc1ccc(cc1F)Br 7a_100011191541_100011218378 [0,1,0,0,0,1|1,1,0]=4 12938 B15R1.3836 CCC(O)COCc1ccc(cc1F)C 34a_100011216587_100011218378 [0,1,0,0,0,1|2,0,0]=4 12939 B15R1.3836 CCC(O)COCc1ccc(cc1F)C 7a_100011216587_100011218378 [0,1,0,0,0,1|2,0,0]=4 12940 B15R1.3836 CCC(O)COCc1ccc(cc1F)Cl 34a_100011217562_100011218378 [0,1,0,0,0,1|1,0,0]=3 12941 B15R1.3836 CCC(O)COCc1ccc(cc1F)Cl 7a_100011217562_100011218378 [0,1,0,0,0,1|1,0,0]=3 12942 B15R1.3836 CCC(O)COCc1ccc(cc1F)F 34a_100011215441_100011218378 [0,1,0,0,0,1|1,1,0]=4 12943 B15R1.3836 CCC(O)COCc1ccc(cc1F)F 7a_100011215441_100011218378 [0,1,0,0,0,1|1,1,0]=4 12944 B15R1.3836 CCC(O)COCc1ccc(cc1F)I 34a_200010202041_100011218378 [0,1,0,0,0,1|1,1,0]=4 12945 B15R1.3836 CCC(O)COCc1ccc(cc1F)I 7a_200010202041_100011218378 [0,1,0,0,0,1|1,1,0]=4 12946 B15R1.3836 CCC(O)COCc1ccc(cc1I)Br 7a_100010146605_100011218378 [0,1,0,0,0,1|1,1,0]=4 12947 B15R1.3836 CCC(O)COCc1ccc(cc1I)Cl 34a_100000722340_100011218378 [0,1,0,0,0,1|1,0,0]=3 12948 B15R1.3836 CCC(O)COCc1ccc(cc1I)Cl 7a_100000722340_100011218378 [0,1,0,0,0,1|1,0,0]=3 12949 B15R1.3836 CCC(O)COCc1ccc(cc1I)F 34a_100011356828_100011218378 [0,1,0,0,0,1|1,1,0]=4 12950 B15R1.3836 CCC(O)COCc1ccc(cc1I)F 7a_100011356828_100011218378 [0,1,0,0,0,1|1,1,0]=4 12951 B15R1.3836 CCC(O)COCc1ccc(cc1N)Br 34a_100000718831_100011218378 [0,1,0,0,0,1|1,1,0]=4 12952 B15R1.3836 CCC(O)COCc1ccc(cc1N)Br 7a_100000718831_100011218378 [0,1,0,0,0,1|1,1,0]=4 12953 B15R1.3836 CCC(O)COCc1ccc(cc1N)C 34a_100000087799_100011218378 [0,1,0,0,0,1|2,0,0]=4 12954 B15R1.3836 CCC(O)COCc1ccc(cc1N)C 7a_100000087799_100011218378 [0,1,0,0,0,1|2,0,0]=4 12955 B15R1.3836 CCC(O)COCc1ccc(cc1N)Cl 34a_100000238622_100011218378 [0,1,0,0,0,1|1,0,0]=3 12956 B15R1.3836 CCC(O)COCc1ccc(cc1N)Cl 7a_100000238622_100011218378 [0,1,0,0,0,1|1,0,0]=3 12957 B15R1.3836 CCC(O)COCc1ccc(cc1N)F 34a_100011996588_100011218378 [0,1,0,0,0,1|1,1,0]=4 12958 B15R1.3836 CCC(O)COCc1ccc(nc1Cl)Cl 34a_100000720492_100011218378 [0,1,0,0,0,1|2,0,0]=4 12959 B15R1.3836 CCC(O)COCc1ccc(nc1Cl)Cl 7a_100000720492_100011218378 [0,1,0,0,0,1|2,0,0]=4 12960 B15R1.3836 CCC(O)COCc1ccc(nc1F)Cl 34a_100009870654_100011218378 [0,1,0,0,0,1|2,0,0]=4 12961 B15R1.3836 CCC(O)COCc1ccc(nc1F)Cl 7a_100009870654_100011218378 [0,1,0,0,0,1|2,0,0]=4 12962 B15R1.3836 CCC(O)COCc1cnc(cc1C)Cl 34a_100010277336_100011218378 [0,1,0,0,0,1|2,0,0]=4 12963 B15R1.3836 CCC(O)COCc1cnc(cc1C)Cl 7a_100010277336_100011218378 [0,1,0,0,0,1|2,0,0]=4 12964 B15R1.3836 CCC(O)COCc1cnc(cc1Cl)Cl 34a_100000702863_100011218378 [0,1,0,0,0,1|2,0,0]=4 12965 B15R1.3836 CCC(O)COCc1cnc(cc1Cl)Cl 7a_100000702863_100011218378 [0,1,0,0,0,1|2,0,0]=4 12966 B15R1.3836 CCC(O)COCc1cnc(cc1N)Cl 34a_100009830438_100011218378 [0,1,0,0,0,1|2,0,0]=4 12967 B15R1.3836 CCC(O)COCc1ncc(cc1Br)Cl 34a_100010065237_100011218378 [0,1,0,0,0,1|2,0,0]=4 12968 B15R1.3836 CCC(O)COCc1ncc(cc1Br)Cl 7a_100010065237_100011218378 [0,1,0,0,0,1|2,0,0]=4 12969 B15R1.3836 CCC(O)COCc1ncc(cc1Cl)Cl 34a_100103146734_100011218378 [0,1,0,0,0,1|2,0,0]=4 12970 B15R1.3836 CCC(O)COCc1ncc(cc1Cl)Cl 7a_100103146734_100011218378 [0,1,0,0,0,1|2,0,0]=4 12971 B15R1.3836 CCC(O)COCc1ncc(cc1F)Cl 34a_100009885607_100011218378 [0,1,0,0,0,1|2,0,0]=4 12972 B15R1.3836 CCC(O)COCc1ncc(cc1F)Cl 7a_100009885607_100011218378 [0,1,0,0,0,1|2,0,0]=4 12973 B15R1.3836 CCC(O)CSCc1ccc(cc1Br)Cl 62a_100000755608_100011218378 [0,1,0,0,0,1|1,1,0]=4 12974 B15R1.3836 CCC(O)CSCc1ccc(cc1Br)Cl 62a_100011218378_100000755608 [0,1,0,0,0,1|1,1,0]=4 12975 B15R1.3836 CCC(O)CSCc1ccc(cc1C)Cl 62a_100011218378_100012361307 [0,1,0,0,0,1|1,1,0]=4 12976 B15R1.3836 CCC(O)CSCc1ccc(cc1C)Cl 62a_100012361307_100011218378 [0,1,0,0,0,1|1,1,0]=4 12977 B15R1.3836 CCC(O)CSCc1ccc(cc1Cl)Cl 62a_100000188473_100011218378 [0,1,0,0,0,1|1,1,0]=4 12978 B15R1.3836 CCC(O)CSCc1ccc(cc1Cl)Cl 62a_100011218378_100000188473 [0,1,0,0,0,1|1,1,0]=4 12979 B15R1.3836 CCC(O)CSCc1ccc(cc1F)Cl 62a_100000709361_100011218378 [0,1,0,0,0,1|1,1,0]=4 12980 B15R1.3836 CCC(O)CSCc1ccc(cc1F)Cl 62a_100011218378_100000709361 [0,1,0,0,0,1|1,1,0]=4 12981 B15R1.3836 CCC(O)CSCc1ccc(cc1I)Cl 62a_100010254388_100011218378 [0,1,0,0,0,1|1,1,0]=4 12982 B15R1.3836 CCC(O)CSCc1ccc(cc1I)Cl 62a_100011218378_100010254388 [0,1,0,0,0,1|1,1,0]=4 12983 B15R1.3836 CC[C@H](C)COCc1ccc(cc1Br)Cl 34a_100000707881_100009816398 [0,1,0,0,0,1|2,0,0]=4 12984 B15R1.3836 CC[C@H](C)COCc1ccc(cc1Br)Cl 7a_100000707881_100009816398 [0,1,0,0,0,1|2,0,0]=4 12985 B15R1.3836 CC[C@H](C)COCc1ccc(cc1Br)Cl 7a_100009816381_100000755608 [0,1,0,0,0,1|2,0,0]=4 12986 B15R1.3836 CC[C@H](C)COCc1ccc(cc1C)Cl 34a_100000702939_100009816398 [0,1,0,0,0,1|2,0,0]=4 12987 B15R1.3836 CC[C@H](C)COCc1ccc(cc1C)Cl 7a_100000702939_100009816398 [0,1,0,0,0,1|2,0,0]=4 12988 B15R1.3836 CC[C@H](C)COCc1ccc(cc1C)Cl 7a_100009816381_100012361307 [0,1,0,0,0,1|2,0,0]=4 12989 B15R1.3836 CC[C@H](C)COCc1ccc(cc1Cl)Cl 34a_100000215721_100009816398 [0,1,0,0,0,1|2,0,0]=4 12990 B15R1.3836 CC[C@H](C)COCc1ccc(cc1Cl)Cl 7a_100000215721_100009816398 [0,1,0,0,0,1|2,0,0]=4 12991 B15R1.3836 CC[C@H](C)COCc1ccc(cc1Cl)Cl 7a_100009816381_100000188473 [0,1,0,0,0,1|2,0,0]=4 12992 B15R1.3836 CC[C@H](C)COCc1ccc(cc1F)Cl 34a_100011217562_100009816398 [0,1,0,0,0,1|2,0,0]=4 12993 B15R1.3836 CC[C@H](C)COCc1ccc(cc1F)Cl 7a_100009816381_100000709361 [0,1,0,0,0,1|2,0,0]=4 12994 B15R1.3836 CC[C@H](C)COCc1ccc(cc1F)Cl 7a_100011217562_100009816398 [0,1,0,0,0,1|2,0,0]=4 12995 B15R1.3836 CC[C@H](C)COCc1ccc(cc1I)Cl 34a_100000722340_100009816398 [0,1,0,0,0,1|2,0,0]=4 12996 B15R1.3836 CC[C@H](C)COCc1ccc(cc1I)Cl 7a_100000722340_100009816398 [0,1,0,0,0,1|2,0,0]=4 12997 B15R1.3836 CC[C@H](C)COCc1ccc(cc1I)Cl 7a_100009816381_100010254388 [0,1,0,0,0,1|2,0,0]=4 12998 B15R1.3836 CC[C@H](C)COCc1ccc(cc1N)Cl 34a_100000238622_100009816398 [0,1,0,0,0,1|2,0,0]=4 12999 B15R1.3836 CC[C@H](C)COCc1ccc(cc1N)Cl 7a_100000238622_100009816398 [0,1,0,0,0,1|2,0,0]=4 13000 B15R1.3836 C[C@@H](CO)CNCc1ccc(cc1Br)Cl 34a_100102692131_100000059175 [0,1,0,0,0,1|2,0,0]=4 13001 B15R1.3836 C[C@@H](CO)CNCc1ccc(cc1Cl)Cl 34a_100000174880_100000059175 [0,1,0,0,0,1|2,0,0]=4 13002 B15R1.3836 C[C@@H](CO)CNCc1ccc(cc1F)Cl 34a_100000708496_100000059175 [0,1,0,0,0,1|2,0,0]=4 13003 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Br)Br 34a_100012357508_100000059175 [0,1,0,0,0,1|1,1,0]=4 13004 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Br)Br 7a_100012357508_100000059175 [0,1,0,0,0,1|1,1,0]=4 13005 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Br)Cl 34a_100000707881_100000059175 [0,1,0,0,0,1|1,0,0]=3 13006 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Br)Cl 7a_100000707881_100000059175 [0,1,0,0,0,1|1,0,0]=3 13007 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Br)F 34a_100000744086_100000059175 [0,1,0,0,0,1|1,1,0]=4 13008 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Br)F 7a_100000744086_100000059175 [0,1,0,0,0,1|1,1,0]=4 13009 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Br)I 7a_100010240206_100000059175 [0,1,0,0,0,1|1,1,0]=4 13010 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Cl)Br 34a_100000756401_100000059175 [0,1,0,0,0,1|1,1,0]=4 13011 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Cl)Br 7a_100000756401_100000059175 [0,1,0,0,0,1|1,1,0]=4 13012 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Cl)Cl 34a_100000215721_100000059175 [0,1,0,0,0,1|1,0,0]=3 13013 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Cl)Cl 7a_100000215721_100000059175 [0,1,0,0,0,1|1,0,0]=3 13014 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Cl)F 34a_100011219954_100000059175 [0,1,0,0,0,1|1,1,0]=4 13015 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Cl)F 7a_100011219954_100000059175 [0,1,0,0,0,1|1,1,0]=4 13016 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1Cl)N 34a_100000689119_100000059175 [0,1,0,0,0,1|2,0,0]=4 13017 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)Br 34a_100011191541_100000059175 [0,1,0,0,0,1|1,1,0]=4 13018 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)Br 7a_100011191541_100000059175 [0,1,0,0,0,1|1,1,0]=4 13019 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)Cl 34a_100011217562_100000059175 [0,1,0,0,0,1|1,0,0]=3 13020 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)Cl 7a_100011217562_100000059175 [0,1,0,0,0,1|1,0,0]=3 13021 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)F 34a_100011215441_100000059175 [0,1,0,0,0,1|1,1,0]=4 13022 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)F 7a_100011215441_100000059175 [0,1,0,0,0,1|1,1,0]=4 13023 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)I 34a_200010202041_100000059175 [0,1,0,0,0,1|1,1,0]=4 13024 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1F)I 7a_200010202041_100000059175 [0,1,0,0,0,1|1,1,0]=4 13025 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1I)Br 7a_100010146605_100000059175 [0,1,0,0,0,1|1,1,0]=4 13026 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1I)Cl 34a_100000722340_100000059175 [0,1,0,0,0,1|1,0,0]=3 13027 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1I)Cl 7a_100000722340_100000059175 [0,1,0,0,0,1|1,0,0]=3 13028 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1I)F 34a_100011356828_100000059175 [0,1,0,0,0,1|1,1,0]=4 13029 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1I)F 7a_100011356828_100000059175 [0,1,0,0,0,1|1,1,0]=4 13030 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1N)Br 34a_100000718831_100000059175 [0,1,0,0,0,1|1,1,0]=4 13031 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1N)Br 7a_100000718831_100000059175 [0,1,0,0,0,1|1,1,0]=4 13032 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1N)Cl 34a_100000238622_100000059175 [0,1,0,0,0,1|1,0,0]=3 13033 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1N)Cl 7a_100000238622_100000059175 [0,1,0,0,0,1|1,0,0]=3 13034 B15R1.3836 C[C@@H](CO)COCc1ccc(cc1N)F 34a_100011996588_100000059175 [0,1,0,0,0,1|1,1,0]=4 13035 B15R1.3836 C[C@@H](CO)COCc1ccc(nc1Cl)Cl 34a_100000720492_100000059175 [0,1,0,0,0,1|2,0,0]=4 13036 B15R1.3836 C[C@@H](CO)COCc1ccc(nc1Cl)Cl 7a_100000720492_100000059175 [0,1,0,0,0,1|2,0,0]=4 13037 B15R1.3836 C[C@@H](CO)COCc1ccc(nc1F)Cl 34a_100009870654_100000059175 [0,1,0,0,0,1|2,0,0]=4 13038 B15R1.3836 C[C@@H](CO)COCc1ccc(nc1F)Cl 7a_100009870654_100000059175 [0,1,0,0,0,1|2,0,0]=4 13039 B15R1.3836 C[C@@H](CO)COCc1cnc(cc1Cl)Cl 34a_100000702863_100000059175 [0,1,0,0,0,1|2,0,0]=4 13040 B15R1.3836 C[C@@H](CO)COCc1cnc(cc1Cl)Cl 7a_100000702863_100000059175 [0,1,0,0,0,1|2,0,0]=4 13041 B15R1.3836 C[C@@H](CO)COCc1cnc(cc1N)Cl 34a_100009830438_100000059175 [0,1,0,0,0,1|2,0,0]=4 13042 B15R1.3836 C[C@@H](CO)COCc1ncc(cc1Br)Cl 34a_100010065237_100000059175 [0,1,0,0,0,1|2,0,0]=4 13043 B15R1.3836 C[C@@H](CO)COCc1ncc(cc1Br)Cl 7a_100010065237_100000059175 [0,1,0,0,0,1|2,0,0]=4 13044 B15R1.3836 C[C@@H](CO)COCc1ncc(cc1Cl)Cl 34a_100103146734_100000059175 [0,1,0,0,0,1|2,0,0]=4 13045 B15R1.3836 C[C@@H](CO)COCc1ncc(cc1Cl)Cl 7a_100103146734_100000059175 [0,1,0,0,0,1|2,0,0]=4 13046 B15R1.3836 C[C@@H](CO)COCc1ncc(cc1F)Cl 34a_100009885607_100000059175 [0,1,0,0,0,1|2,0,0]=4 13047 B15R1.3836 C[C@@H](CO)COCc1ncc(cc1F)Cl 7a_100009885607_100000059175 [0,1,0,0,0,1|2,0,0]=4 13048 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1Br)Cl 62a_100000059175_100000755608 [0,1,0,0,0,1|1,1,0]=4 13049 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1Br)Cl 62a_100000755608_100000059175 [0,1,0,0,0,1|1,1,0]=4 13050 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1Cl)Cl 62a_100000059175_100000188473 [0,1,0,0,0,1|1,1,0]=4 13051 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1Cl)Cl 62a_100000188473_100000059175 [0,1,0,0,0,1|1,1,0]=4 13052 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1F)Cl 62a_100000059175_100000709361 [0,1,0,0,0,1|1,1,0]=4 13053 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1F)Cl 62a_100000709361_100000059175 [0,1,0,0,0,1|1,1,0]=4 13054 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1I)Cl 62a_100000059175_100010254388 [0,1,0,0,0,1|1,1,0]=4 13055 B15R1.3836 C[C@@H](CO)CSCc1ccc(cc1I)Cl 62a_100010254388_100000059175 [0,1,0,0,0,1|1,1,0]=4 13056 B15R1.3836 C[C@H](CO)NCCc1ccc(cc1Br)Cl 2230a_100000737577_200012945151 [0,1,0,0,0,1|2,0,0]=4 13057 B15R1.3836 C[C@H](CO)NCCc1ccc(cc1Cl)Cl 2230a_100000737577_200012161198 [0,1,0,0,0,1|2,0,0]=4 13058 B15R1.3836 C[C@H](CO)SCCc1ccc(cc1Br)Cl 62a_100016084084_200012945151 [0,1,0,0,0,1|2,0,0]=4 13059 B15R1.3836 C[C@H](CO)SCCc1ccc(cc1Br)Cl 62a_200012945151_100016084084 [0,1,0,0,0,1|2,0,0]=4 13060 B15R1.3836 C[C@H](CO)SCCc1ccc(cc1Cl)Cl 62a_100016084084_200012161198 [0,1,0,0,0,1|2,0,0]=4 13061 B15R1.3836 C[C@H](CO)SCCc1ccc(cc1Cl)Cl 62a_200012161198_100016084084 [0,1,0,0,0,1|2,0,0]=4 13062 B15R1.3836 Cc1cc(c(cn1)COCC(O)CO)N 34a_200012022818_100011219619 [0,1,0,0,0,1|2,0,0]=4 13063 B15R1.3836 Cc1cc(c(cn1)COC[C@@H](O)CO)N 34a_200012022818_100009815848 [0,1,0,0,0,1|2,0,0]=4 13064 B15R1.3836 Cc1cc(ccc1CNCC(C)CO)Cl 207a_100000744482_100000766358 [0,1,0,0,0,1|2,0,0]=4 13065 B15R1.3836 Cc1cc(ccc1CNCC(C)CO)Cl 34a_100000744482_100012361307 [0,1,0,0,0,1|2,0,0]=4 13066 B15R1.3836 Cc1cc(ccc1CNCC(O)CO)Br 34a_100000753881_100011219619 [0,1,0,0,0,1|1,1,0]=4 13067 B15R1.3836 Cc1cc(ccc1CNCC(O)CO)Cl 34a_103436540063_100011219619 [0,1,0,0,0,1|1,0,0]=3 13068 B15R1.3836 Cc1cc(ccc1CNCC(O)CO)F 34a_100137329023_100011219619 [0,1,0,0,0,1|1,1,0]=4 13069 B15R1.3836 Cc1cc(ccc1CNC[C@@H](C)CO)Cl 34a_103436540063_100000059175 [0,1,0,0,0,1|2,0,0]=4 13070 B15R1.3836 Cc1cc(ccc1CNC[C@@H](F)CO)Cl 207a_100015665980_100000766358 [0,1,0,0,0,1|2,0,0]=4 13071 B15R1.3836 Cc1cc(ccc1CNC[C@@H](F)CO)Cl 270004a_100015665980_100000766358 [0,1,0,0,0,1|2,0,0]=4 13072 B15R1.3836 Cc1cc(ccc1CNC[C@@H](F)CO)Cl 34a_100015665980_100012361307 [0,1,0,0,0,1|2,0,0]=4 13073 B15R1.3836 Cc1cc(ccc1CNC[C@@H](O)CF)Cl 34a_103436540063_100015614560 [0,1,0,0,0,1|2,0,0]=4 13074 B15R1.3836 Cc1cc(ccc1CNC[C@@H](O)CO)Br 34a_100000753881_100009815848 [0,1,0,0,0,1|1,1,0]=4 13075 B15R1.3836 Cc1cc(ccc1CNC[C@@H](O)CO)Cl 34a_103436540063_100009815848 [0,1,0,0,0,1|1,0,0]=3 13076 B15R1.3836 Cc1cc(ccc1CNC[C@@H](O)CO)F 34a_100137329023_100009815848 [0,1,0,0,0,1|1,1,0]=4 13077 B15R1.3836 Cc1cc(ccc1CNC[C@H](O)CO)Br 207a_100020644852_100000687586 [0,1,0,0,0,1|1,1,0]=4 13078 B15R1.3836 Cc1cc(ccc1CNC[C@H](O)CO)Br 2230a_100020644852_100000708836 [0,1,0,0,0,1|1,1,0]=4 13079 B15R1.3836 Cc1cc(ccc1CNC[C@H](O)CO)Cl 207a_100020644852_100000766358 [0,1,0,0,0,1|1,0,0]=3 13080 B15R1.3836 Cc1cc(ccc1CNC[C@H](O)CO)Cl 2230a_100020644852_100012361307 [0,1,0,0,0,1|1,0,0]=3 13081 B15R1.3836 Cc1cc(ccc1CNC[C@H](O)CO)F 207a_100020644852_100000745986 [0,1,0,0,0,1|1,1,0]=4 13082 B15R1.3836 Cc1cc(ccc1CNC[C@H](O)CO)F 2230a_100020644852_100000700533 [0,1,0,0,0,1|1,1,0]=4 13083 B15R1.3836 Cc1cc(ccc1COCC(C)CN)Cl 34a_100000744482_100012361307 [0,1,0,0,0,1|2,0,0]=4 13084 B15R1.3836 Cc1cc(ccc1COCC(Cl)CCl)Cl 34a_100000033668_100012361307 [0,1,0,0,0,1|2,0,0]=4 13085 B15R1.3836 Cc1cc(ccc1COCC(O)CO)Br 34a_100000748258_100011219619 [0,1,0,0,0,1|0,1,0]=3 13086 B15R1.3836 Cc1cc(ccc1COCC(O)CO)Br 7a_100000748258_100011219619 [0,1,0,0,0,1|0,1,0]=3 13087 B15R1.3836 Cc1cc(ccc1COCC(O)CO)Cl 34a_100000702939_100011219619 [0,1,0,0,0,1|0,0,0]=2 13088 B15R1.3836 Cc1cc(ccc1COCC(O)CO)Cl 7a_100000702939_100011219619 [0,1,0,0,0,1|0,0,0]=2 13089 B15R1.3836 Cc1cc(ccc1COCC(O)CO)F 34a_100000700136_100011219619 [0,1,0,0,0,1|0,1,0]=3 13090 B15R1.3836 Cc1cc(ccc1COCC(O)CO)F 7a_100000700136_100011219619 [0,1,0,0,0,1|0,1,0]=3 13091 B15R1.3836 Cc1cc(ccc1COCC(O)CO)N 34a_100000102464_100011219619 [0,1,0,0,0,1|1,0,0]=3 13092 B15R1.3836 Cc1cc(ccc1COCC(O)CO)N 7a_100000102464_100011219619 [0,1,0,0,0,1|1,0,0]=3 13093 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)Br 34a_100000748258_100000059175 [0,1,0,0,0,1|1,1,0]=4 13094 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)Br 7a_100000748258_100000059175 [0,1,0,0,0,1|1,1,0]=4 13095 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)Cl 34a_100000702939_100000059175 [0,1,0,0,0,1|1,0,0]=3 13096 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)Cl 7a_100000702939_100000059175 [0,1,0,0,0,1|1,0,0]=3 13097 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)F 34a_100000700136_100000059175 [0,1,0,0,0,1|1,1,0]=4 13098 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)F 7a_100000700136_100000059175 [0,1,0,0,0,1|1,1,0]=4 13099 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)N 34a_100000102464_100000059175 [0,1,0,0,0,1|2,0,0]=4 13100 B15R1.3836 Cc1cc(ccc1COC[C@@H](C)CO)N 7a_100000102464_100000059175 [0,1,0,0,0,1|2,0,0]=4 13101 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)Br 34a_100000748258_100015614560 [0,1,0,0,0,1|1,1,0]=4 13102 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)Br 7a_100000748258_100015614560 [0,1,0,0,0,1|1,1,0]=4 13103 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)Cl 34a_100000702939_100015614560 [0,1,0,0,0,1|1,0,0]=3 13104 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)Cl 7a_100000702939_100015614560 [0,1,0,0,0,1|1,0,0]=3 13105 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)F 34a_100000700136_100015614560 [0,1,0,0,0,1|1,1,0]=4 13106 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)F 7a_100000700136_100015614560 [0,1,0,0,0,1|1,1,0]=4 13107 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)N 34a_100000102464_100015614560 [0,1,0,0,0,1|2,0,0]=4 13108 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CF)N 7a_100000102464_100015614560 [0,1,0,0,0,1|2,0,0]=4 13109 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)Br 34a_100000748258_100009815848 [0,1,0,0,0,1|0,1,0]=3 13110 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)Br 7a_100000748258_100009815848 [0,1,0,0,0,1|0,1,0]=3 13111 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)Cl 34a_100000702939_100009815848 [0,1,0,0,0,1|0,0,0]=2 13112 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)Cl 7a_100000702939_100009815848 [0,1,0,0,0,1|0,0,0]=2 13113 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)F 34a_100000700136_100009815848 [0,1,0,0,0,1|0,1,0]=3 13114 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)F 7a_100000700136_100009815848 [0,1,0,0,0,1|0,1,0]=3 13115 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)N 34a_100000102464_100009815848 [0,1,0,0,0,1|1,0,0]=3 13116 B15R1.3836 Cc1cc(ccc1COC[C@@H](O)CO)N 7a_100000102464_100009815848 [0,1,0,0,0,1|1,0,0]=3 13117 B15R1.3836 Cc1cc(ccc1COC[C@H](F)CN)Cl 34a_100015665980_100012361307 [0,1,0,0,0,1|2,0,0]=4 13118 B15R1.3836 Cc1cc(ccc1CSCC(O)CO)Br 62a_100000708836_100011219619 [0,1,0,0,0,1|0,2,0]=4 13119 B15R1.3836 Cc1cc(ccc1CSCC(O)CO)Br 62a_100011219619_100000708836 [0,1,0,0,0,1|0,2,0]=4 13120 B15R1.3836 Cc1cc(ccc1CSCC(O)CO)Cl 62a_100011219619_100012361307 [0,1,0,0,0,1|0,1,0]=3 13121 B15R1.3836 Cc1cc(ccc1CSCC(O)CO)Cl 62a_100012361307_100011219619 [0,1,0,0,0,1|0,1,0]=3 13122 B15R1.3836 Cc1cc(ccc1CSCC(O)CO)F 62a_100000700533_100011219619 [0,1,0,0,0,1|0,2,0]=4 13123 B15R1.3836 Cc1cc(ccc1CSCC(O)CO)F 62a_100011219619_100000700533 [0,1,0,0,0,1|0,2,0]=4 13124 B15R1.3836 Cc1cc(ccc1CSC[C@@H](C)CO)Cl 62a_100000059175_100012361307 [0,1,0,0,0,1|1,1,0]=4 13125 B15R1.3836 Cc1cc(ccc1CSC[C@@H](C)CO)Cl 62a_100012361307_100000059175 [0,1,0,0,0,1|1,1,0]=4 13126 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CF)Cl 62a_100012361307_100015614560 [0,1,0,0,0,1|1,1,0]=4 13127 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CF)Cl 62a_100015614560_100012361307 [0,1,0,0,0,1|1,1,0]=4 13128 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CO)Br 62a_100000708836_100009815848 [0,1,0,0,0,1|0,2,0]=4 13129 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CO)Br 62a_100009815848_100000708836 [0,1,0,0,0,1|0,2,0]=4 13130 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CO)Cl 62a_100009815848_100012361307 [0,1,0,0,0,1|0,1,0]=3 13131 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CO)Cl 62a_100012361307_100009815848 [0,1,0,0,0,1|0,1,0]=3 13132 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CO)F 62a_100000700533_100009815848 [0,1,0,0,0,1|0,2,0]=4 13133 B15R1.3836 Cc1cc(ccc1CSC[C@@H](O)CO)F 62a_100009815848_100000700533 [0,1,0,0,0,1|0,2,0]=4 13134 B15R1.3836 Cc1cc(ccc1NN=CC(O)CO)Cl 4a_100011215965_100000033539 [0,1,0,0,0,1|1,0,1]=4 13135 B15R1.3836 Cc1cc(cnc1CNC[C@H](O)CO)Cl 207a_100020644852_200009887756 [0,1,0,0,0,1|2,0,0]=4 13136 B15R1.3836 Cc1cc(cnc1COCC(O)CO)Br 34a_100010116297_100011219619 [0,1,0,0,0,1|1,1,0]=4 13137 B15R1.3836 Cc1cc(cnc1COCC(O)CO)Br 7a_100010116297_100011219619 [0,1,0,0,0,1|1,1,0]=4 13138 B15R1.3836 Cc1cc(cnc1COC[C@@H](O)CO)Br 34a_100010116297_100009815848 [0,1,0,0,0,1|1,1,0]=4 13139 B15R1.3836 Cc1cc(cnc1COC[C@@H](O)CO)Br 7a_100010116297_100009815848 [0,1,0,0,0,1|1,1,0]=4 13140 B15R1.3836 Cc1cc(ncc1COCC(O)CO)Cl 34a_100010277336_100011219619 [0,1,0,0,0,1|1,0,0]=3 13141 B15R1.3836 Cc1cc(ncc1COCC(O)CO)Cl 7a_100010277336_100011219619 [0,1,0,0,0,1|1,0,0]=3 13142 B15R1.3836 Cc1cc(ncc1COC[C@@H](C)CO)Cl 34a_100010277336_100000059175 [0,1,0,0,0,1|2,0,0]=4 13143 B15R1.3836 Cc1cc(ncc1COC[C@@H](C)CO)Cl 7a_100010277336_100000059175 [0,1,0,0,0,1|2,0,0]=4 13144 B15R1.3836 Cc1cc(ncc1COC[C@@H](O)CF)Cl 34a_100010277336_100015614560 [0,1,0,0,0,1|2,0,0]=4 13145 B15R1.3836 Cc1cc(ncc1COC[C@@H](O)CF)Cl 7a_100010277336_100015614560 [0,1,0,0,0,1|2,0,0]=4 13146 B15R1.3836 Cc1cc(ncc1COC[C@@H](O)CO)Cl 34a_100010277336_100009815848 [0,1,0,0,0,1|1,0,0]=3 13147 B15R1.3836 Cc1cc(ncc1COC[C@@H](O)CO)Cl 7a_100010277336_100009815848 [0,1,0,0,0,1|1,0,0]=3 13148 B15R1.3836 Cc1ccc(c(c1)Br)CNC[C@H](O)CO 207a_100020644852_100000692596 [0,1,0,0,0,1|2,0,0]=4 13149 B15R1.3836 Cc1ccc(c(c1)C)CNCC(O)CO 34a_100000737523_100011219619 [0,1,0,0,0,1|2,0,0]=4 13150 B15R1.3836 Cc1ccc(c(c1)C)CNC[C@@H](O)CO 34a_100000737523_100009815848 [0,1,0,0,0,1|2,0,0]=4 13151 B15R1.3836 Cc1ccc(c(c1)C)CNC[C@H](O)CO 207a_100020644852_100000211342 [0,1,0,0,0,1|2,0,0]=4 13152 B15R1.3836 Cc1ccc(c(c1)C)CNC[C@H](O)CO 2230a_100020644852_100011219618 [0,1,0,0,0,1|2,0,0]=4 13153 B15R1.3836 Cc1ccc(c(c1)C)COCC(O)CO 34a_100011215341_100011219619 [0,1,0,0,0,1|1,0,0]=3 13154 B15R1.3836 Cc1ccc(c(c1)C)COCC(O)CO 7a_100011215341_100011219619 [0,1,0,0,0,1|1,0,0]=3 13155 B15R1.3836 Cc1ccc(c(c1)C)COC[C@@H](C)CO 34a_100011215341_100000059175 [0,1,0,0,0,1|2,0,0]=4 13156 B15R1.3836 Cc1ccc(c(c1)C)COC[C@@H](C)CO 7a_100011215341_100000059175 [0,1,0,0,0,1|2,0,0]=4 13157 B15R1.3836 Cc1ccc(c(c1)C)COC[C@@H](O)CF 34a_100011215341_100015614560 [0,1,0,0,0,1|2,0,0]=4 13158 B15R1.3836 Cc1ccc(c(c1)C)COC[C@@H](O)CF 7a_100011215341_100015614560 [0,1,0,0,0,1|2,0,0]=4 13159 B15R1.3836 Cc1ccc(c(c1)C)COC[C@@H](O)CO 34a_100011215341_100009815848 [0,1,0,0,0,1|1,0,0]=3 13160 B15R1.3836 Cc1ccc(c(c1)C)COC[C@@H](O)CO 7a_100011215341_100009815848 [0,1,0,0,0,1|1,0,0]=3 13161 B15R1.3836 Cc1ccc(c(c1)C)CSCC(O)CO 62a_100011219618_100011219619 [0,1,0,0,0,1|1,1,0]=4 13162 B15R1.3836 Cc1ccc(c(c1)C)CSCC(O)CO 62a_100011219619_100011219618 [0,1,0,0,0,1|1,1,0]=4 13163 B15R1.3836 Cc1ccc(c(c1)C)CSC[C@@H](O)CO 62a_100009815848_100011219618 [0,1,0,0,0,1|1,1,0]=4 13164 B15R1.3836 Cc1ccc(c(c1)C)CSC[C@@H](O)CO 62a_100011219618_100009815848 [0,1,0,0,0,1|1,1,0]=4 13165 B15R1.3836 Cc1ccc(c(c1)Cl)CNCC(O)CO 34a_100011997539_100011219619 [0,1,0,0,0,1|2,0,0]=4 13166 B15R1.3836 Cc1ccc(c(c1)Cl)CNC[C@@H](O)CO 34a_100011997539_100009815848 [0,1,0,0,0,1|2,0,0]=4 13167 B15R1.3836 Cc1ccc(c(c1)Cl)CNC[C@H](O)CO 207a_100020644852_100011935181 [0,1,0,0,0,1|2,0,0]=4 13168 B15R1.3836 Cc1ccc(c(c1)Cl)CNC[C@H](O)CO 2230a_100020644852_100012349684 [0,1,0,0,0,1|2,0,0]=4 13169 B15R1.3836 Cc1ccc(c(c1)Cl)COCC(O)CO 34a_100000720314_100011219619 [0,1,0,0,0,1|1,0,0]=3 13170 B15R1.3836 Cc1ccc(c(c1)Cl)COCC(O)CO 7a_100000720314_100011219619 [0,1,0,0,0,1|1,0,0]=3 13171 B15R1.3836 Cc1ccc(c(c1)Cl)COC[C@@H](C)CO 34a_100000720314_100000059175 [0,1,0,0,0,1|2,0,0]=4 13172 B15R1.3836 Cc1ccc(c(c1)Cl)COC[C@@H](C)CO 7a_100000720314_100000059175 [0,1,0,0,0,1|2,0,0]=4 13173 B15R1.3836 Cc1ccc(c(c1)Cl)COC[C@@H](O)CF 34a_100000720314_100015614560 [0,1,0,0,0,1|2,0,0]=4 13174 B15R1.3836 Cc1ccc(c(c1)Cl)COC[C@@H](O)CF 7a_100000720314_100015614560 [0,1,0,0,0,1|2,0,0]=4 13175 B15R1.3836 Cc1ccc(c(c1)Cl)COC[C@@H](O)CO 34a_100000720314_100009815848 [0,1,0,0,0,1|1,0,0]=3 13176 B15R1.3836 Cc1ccc(c(c1)Cl)COC[C@@H](O)CO 7a_100000720314_100009815848 [0,1,0,0,0,1|1,0,0]=3 13177 B15R1.3836 Cc1ccc(c(c1)Cl)CSCC(O)CO 62a_100011219619_100012349684 [0,1,0,0,0,1|1,1,0]=4 13178 B15R1.3836 Cc1ccc(c(c1)Cl)CSCC(O)CO 62a_100012349684_100011219619 [0,1,0,0,0,1|1,1,0]=4 13179 B15R1.3836 Cc1ccc(c(c1)Cl)CSC[C@@H](O)CO 62a_100009815848_100012349684 [0,1,0,0,0,1|1,1,0]=4 13180 B15R1.3836 Cc1ccc(c(c1)Cl)CSC[C@@H](O)CO 62a_100012349684_100009815848 [0,1,0,0,0,1|1,1,0]=4 13181 B15R1.3836 Cc1ccc(c(c1)F)CNCC(O)CO 34a_100102887089_100011219619 [0,1,0,0,0,1|2,0,0]=4 13182 B15R1.3836 Cc1ccc(c(c1)F)CNC[C@@H](O)CO 34a_100102887089_100009815848 [0,1,0,0,0,1|2,0,0]=4 13183 B15R1.3836 Cc1ccc(c(c1)F)CNC[C@H](O)CO 207a_100020644852_100011217368 [0,1,0,0,0,1|2,0,0]=4 13184 B15R1.3836 Cc1ccc(c(c1)F)CNC[C@H](O)CO 2230a_100020644852_100011217900 [0,1,0,0,0,1|2,0,0]=4 13185 B15R1.3836 Cc1ccc(c(c1)F)COCC(O)CO 34a_100011216587_100011219619 [0,1,0,0,0,1|1,0,0]=3 13186 B15R1.3836 Cc1ccc(c(c1)F)COCC(O)CO 7a_100011216587_100011219619 [0,1,0,0,0,1|1,0,0]=3 13187 B15R1.3836 Cc1ccc(c(c1)F)COC[C@@H](C)CO 34a_100011216587_100000059175 [0,1,0,0,0,1|2,0,0]=4 13188 B15R1.3836 Cc1ccc(c(c1)F)COC[C@@H](C)CO 7a_100011216587_100000059175 [0,1,0,0,0,1|2,0,0]=4 13189 B15R1.3836 Cc1ccc(c(c1)F)COC[C@@H](O)CF 34a_100011216587_100015614560 [0,1,0,0,0,1|2,0,0]=4 13190 B15R1.3836 Cc1ccc(c(c1)F)COC[C@@H](O)CF 7a_100011216587_100015614560 [0,1,0,0,0,1|2,0,0]=4 13191 B15R1.3836 Cc1ccc(c(c1)F)COC[C@@H](O)CO 34a_100011216587_100009815848 [0,1,0,0,0,1|1,0,0]=3 13192 B15R1.3836 Cc1ccc(c(c1)F)COC[C@@H](O)CO 7a_100011216587_100009815848 [0,1,0,0,0,1|1,0,0]=3 13193 B15R1.3836 Cc1ccc(c(c1)F)CSCC(O)CO 62a_100011217900_100011219619 [0,1,0,0,0,1|1,1,0]=4 13194 B15R1.3836 Cc1ccc(c(c1)F)CSCC(O)CO 62a_100011219619_100011217900 [0,1,0,0,0,1|1,1,0]=4 13195 B15R1.3836 Cc1ccc(c(c1)F)CSC[C@@H](O)CO 62a_100009815848_100011217900 [0,1,0,0,0,1|1,1,0]=4 13196 B15R1.3836 Cc1ccc(c(c1)F)CSC[C@@H](O)CO 62a_100011217900_100009815848 [0,1,0,0,0,1|1,1,0]=4 13197 B15R1.3836 Cc1ccc(c(c1)I)CNC[C@H](O)CO 207a_100020644852_100010150104 [0,1,0,0,0,1|2,0,0]=4 13198 B15R1.3836 Cc1ccc(c(c1)N)COCC(O)CO 34a_100000087799_100011219619 [0,1,0,0,0,1|1,0,0]=3 13199 B15R1.3836 Cc1ccc(c(c1)N)COCC(O)CO 7a_100000087799_100011219619 [0,1,0,0,0,1|1,0,0]=3 13200 B15R1.3836 Cc1ccc(c(c1)N)COC[C@@H](C)CO 34a_100000087799_100000059175 [0,1,0,0,0,1|2,0,0]=4 13201 B15R1.3836 Cc1ccc(c(c1)N)COC[C@@H](C)CO 7a_100000087799_100000059175 [0,1,0,0,0,1|2,0,0]=4 13202 B15R1.3836 Cc1ccc(c(c1)N)COC[C@@H](O)CF 34a_100000087799_100015614560 [0,1,0,0,0,1|2,0,0]=4 13203 B15R1.3836 Cc1ccc(c(c1)N)COC[C@@H](O)CF 7a_100000087799_100015614560 [0,1,0,0,0,1|2,0,0]=4 13204 B15R1.3836 Cc1ccc(c(c1)N)COC[C@@H](O)CO 34a_100000087799_100009815848 [0,1,0,0,0,1|1,0,0]=3 13205 B15R1.3836 Cc1ccc(c(c1)N)COC[C@@H](O)CO 7a_100000087799_100009815848 [0,1,0,0,0,1|1,0,0]=3 13206 B15R1.3836 Cc1ccc(c(n1)C)COCC(O)CO 34a_100011756430_100011219619 [0,1,0,0,0,1|2,0,0]=4 13207 B15R1.3836 Cc1ccc(c(n1)C)COCC(O)CO 7a_100011756430_100011219619 [0,1,0,0,0,1|2,0,0]=4 13208 B15R1.3836 Cc1ccc(c(n1)C)COC[C@@H](O)CO 34a_100011756430_100009815848 [0,1,0,0,0,1|2,0,0]=4 13209 B15R1.3836 Cc1ccc(c(n1)C)COC[C@@H](O)CO 7a_100011756430_100009815848 [0,1,0,0,0,1|2,0,0]=4 13210 B15R1.3836 Cc1ccc(c(n1)Cl)COCC(O)CO 34a_102495338573_100011219619 [0,1,0,0,0,1|2,0,0]=4 13211 B15R1.3836 Cc1ccc(c(n1)Cl)COCC(O)CO 7a_102495338573_100011219619 [0,1,0,0,0,1|2,0,0]=4 13212 B15R1.3836 Cc1ccc(c(n1)Cl)COC[C@@H](O)CO 34a_102495338573_100009815848 [0,1,0,0,0,1|2,0,0]=4 13213 B15R1.3836 Cc1ccc(c(n1)Cl)COC[C@@H](O)CO 7a_102495338573_100009815848 [0,1,0,0,0,1|2,0,0]=4 13214 B15R1.3836 Cc1cnc(c(c1)C)COCC(O)CO 34a_100012000483_100011219619 [0,1,0,0,0,1|2,0,0]=4 13215 B15R1.3836 Cc1cnc(c(c1)C)COCC(O)CO 7a_100012000483_100011219619 [0,1,0,0,0,1|2,0,0]=4 13216 B15R1.3836 Cc1cnc(c(c1)C)COC[C@@H](O)CO 34a_100012000483_100009815848 [0,1,0,0,0,1|2,0,0]=4 13217 B15R1.3836 Cc1cnc(c(c1)C)COC[C@@H](O)CO 7a_100012000483_100009815848 [0,1,0,0,0,1|2,0,0]=4 13218 B15R1.3836 Cc1nc(ccc1COCC(O)CO)F 34a_100000081978_100011219619 [0,1,0,0,0,1|1,1,0]=4 13219 B15R1.3836 Cc1nc(ccc1COCC(O)CO)F 7a_100000081978_100011219619 [0,1,0,0,0,1|1,1,0]=4 13220 B15R1.3836 Cc1nc(ccc1COC[C@@H](O)CO)F 34a_100000081978_100009815848 [0,1,0,0,0,1|1,1,0]=4 13221 B15R1.3836 Cc1nc(ccc1COC[C@@H](O)CO)F 7a_100000081978_100009815848 [0,1,0,0,0,1|1,1,0]=4 13222 B15R1.3836 ClCC(Cl)COCc1ccc(cc1Br)Cl 34a_100000033668_100000755608 [0,1,0,0,0,1|2,0,0]=4 13223 B15R1.3836 ClCC(Cl)COCc1ccc(cc1Cl)Cl 34a_100000033668_100000188473 [0,1,0,0,0,1|2,0,0]=4 13224 B15R1.3836 ClCC(Cl)COCc1ccc(cc1I)Cl 34a_100000033668_100010254388 [0,1,0,0,0,1|2,0,0]=4 13225 B15R1.3836 Fc1cc(ccc1COCC(Cl)CCl)Cl 34a_100000033668_100000709361 [0,1,0,0,0,1|2,0,0]=4 13226 B15R1.3836 NC[C@@H](F)COCc1ccc(cc1Br)Cl 34a_100015665980_100000755608 [0,1,0,0,0,1|2,0,0]=4 13227 B15R1.3836 NC[C@@H](F)COCc1ccc(cc1Cl)Cl 34a_100015665980_100000188473 [0,1,0,0,0,1|2,0,0]=4 13228 B15R1.3836 NC[C@@H](F)COCc1ccc(cc1F)Cl 34a_100015665980_100000709361 [0,1,0,0,0,1|2,0,0]=4 13229 B15R1.3836 NC[C@@H](F)COCc1ccc(cc1I)Cl 34a_100015665980_100010254388 [0,1,0,0,0,1|2,0,0]=4 13230 B15R1.3836 Nc1cc(ccc1COCC(O)CO)Br 34a_100000718831_100011219619 [0,1,0,0,0,1|0,1,0]=3 13231 B15R1.3836 Nc1cc(ccc1COCC(O)CO)Br 7a_100000718831_100011219619 [0,1,0,0,0,1|0,1,0]=3 13232 B15R1.3836 Nc1cc(ccc1COCC(O)CO)Cl 34a_100000238622_100011219619 [0,1,0,0,0,1|0,0,0]=2 13233 B15R1.3836 Nc1cc(ccc1COCC(O)CO)Cl 7a_100000238622_100011219619 [0,1,0,0,0,1|0,0,0]=2 13234 B15R1.3836 Nc1cc(ccc1COCC(O)CO)F 34a_100011996588_100011219619 [0,1,0,0,0,1|0,1,0]=3 13235 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CF)Br 34a_100000718831_100015614560 [0,1,0,0,0,1|1,1,0]=4 13236 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CF)Br 7a_100000718831_100015614560 [0,1,0,0,0,1|1,1,0]=4 13237 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CF)Cl 34a_100000238622_100015614560 [0,1,0,0,0,1|1,0,0]=3 13238 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CF)Cl 7a_100000238622_100015614560 [0,1,0,0,0,1|1,0,0]=3 13239 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CF)F 34a_100011996588_100015614560 [0,1,0,0,0,1|1,1,0]=4 13240 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CO)Br 34a_100000718831_100009815848 [0,1,0,0,0,1|0,1,0]=3 13241 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CO)Br 7a_100000718831_100009815848 [0,1,0,0,0,1|0,1,0]=3 13242 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CO)Cl 34a_100000238622_100009815848 [0,1,0,0,0,1|0,0,0]=2 13243 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CO)Cl 7a_100000238622_100009815848 [0,1,0,0,0,1|0,0,0]=2 13244 B15R1.3836 Nc1cc(ccc1COC[C@@H](O)CO)F 34a_100011996588_100009815848 [0,1,0,0,0,1|0,1,0]=3 13245 B15R1.3836 Nc1cc(ncc1COCC(O)CO)Cl 34a_100009830438_100011219619 [0,1,0,0,0,1|1,0,0]=3 13246 B15R1.3836 Nc1cc(ncc1COC[C@@H](O)CF)Cl 34a_100009830438_100015614560 [0,1,0,0,0,1|2,0,0]=4 13247 B15R1.3836 Nc1cc(ncc1COC[C@@H](O)CO)Cl 34a_100009830438_100009815848 [0,1,0,0,0,1|1,0,0]=3 13248 B15R1.3836 Nc1ccc(c(c1)Cl)COCC(O)CO 34a_100000689119_100011219619 [0,1,0,0,0,1|1,0,0]=3 13249 B15R1.3836 Nc1ccc(c(c1)Cl)COC[C@@H](O)CF 34a_100000689119_100015614560 [0,1,0,0,0,1|2,0,0]=4 13250 B15R1.3836 Nc1ccc(c(c1)Cl)COC[C@@H](O)CO 34a_100000689119_100009815848 [0,1,0,0,0,1|1,0,0]=3 13251 B15R1.3836 Nc1nc(ncc1COCC(O)CO)Cl 7a_200009965464_100011219619 [0,1,0,0,0,1|2,0,0]=4 13252 B15R1.3836 Nc1nc(ncc1COC[C@@H](O)CO)Cl 7a_200009965464_100009815848 [0,1,0,0,0,1|2,0,0]=4 13253 B15R1.3836 O=C(CO)CCOc1ccc(cc1Br)Cl 1458a_100000210174_100000199037 [0,1,0,0,0,1|0,0,2]=4 13254 B15R1.3836 O=C(CO)CCOc1ccc(cc1Cl)Cl 1458a_100000210174_100000184432 [0,1,0,0,0,1|0,0,2]=4 13255 B15R1.3836 OCC(O)C=NNc1ccc(cc1Cl)Cl 4a_100000717958_100000033539 [0,1,0,0,0,1|1,0,1]=4 13256 B15R1.3836 OCC(O)C=NNc1ccc(cc1F)Cl 4a_100016989531_100000033539 [0,1,0,0,0,1|1,0,1]=4 13257 B15R1.3836 OCC(O)CNCc1ccc(cc1Br)Cl 34a_100102692131_100011219619 [0,1,0,0,0,1|1,0,0]=3 13258 B15R1.3836 OCC(O)CNCc1ccc(cc1Br)F 34a_100000708791_100011219619 [0,1,0,0,0,1|1,1,0]=4 13259 B15R1.3836 OCC(O)CNCc1ccc(cc1Cl)Br 34a_100020628970_100011219619 [0,1,0,0,0,1|1,1,0]=4 13260 B15R1.3836 OCC(O)CNCc1ccc(cc1Cl)Cl 34a_100000174880_100011219619 [0,1,0,0,0,1|1,0,0]=3 13261 B15R1.3836 OCC(O)CNCc1ccc(cc1Cl)F 34a_100000174946_100011219619 [0,1,0,0,0,1|1,1,0]=4 13262 B15R1.3836 OCC(O)CNCc1ccc(cc1Cl)O 34a_200161156549_100011219619 [0,1,0,0,0,1|2,0,0]=4 13263 B15R1.3836 OCC(O)CNCc1ccc(cc1F)Br 34a_100000754580_100011219619 [0,1,0,0,0,1|1,1,0]=4 13264 B15R1.3836 OCC(O)CNCc1ccc(cc1F)Cl 34a_100000708496_100011219619 [0,1,0,0,0,1|1,0,0]=3 13265 B15R1.3836 OCC(O)CNCc1ccc(cc1F)F 34a_100000737868_100011219619 [0,1,0,0,0,1|1,1,0]=4 13266 B15R1.3836 OCC(O)COCc1ccc(cc1Br)Br 34a_100012357508_100011219619 [0,1,0,0,0,1|0,1,0]=3 13267 B15R1.3836 OCC(O)COCc1ccc(cc1Br)Br 7a_100012357508_100011219619 [0,1,0,0,0,1|0,1,0]=3 13268 B15R1.3836 OCC(O)COCc1ccc(cc1Br)Cl 34a_100000707881_100011219619 [0,1,0,0,0,1|0,0,0]=2 13269 B15R1.3836 OCC(O)COCc1ccc(cc1Br)Cl 7a_100000707881_100011219619 [0,1,0,0,0,1|0,0,0]=2 13270 B15R1.3836 OCC(O)COCc1ccc(cc1Br)F 34a_100000744086_100011219619 [0,1,0,0,0,1|0,1,0]=3 13271 B15R1.3836 OCC(O)COCc1ccc(cc1Br)F 7a_100000744086_100011219619 [0,1,0,0,0,1|0,1,0]=3 13272 B15R1.3836 OCC(O)COCc1ccc(cc1Br)I 7a_100010240206_100011219619 [0,1,0,0,0,1|0,1,0]=3 13273 B15R1.3836 OCC(O)COCc1ccc(cc1Cl)Br 34a_100000756401_100011219619 [0,1,0,0,0,1|0,1,0]=3 13274 B15R1.3836 OCC(O)COCc1ccc(cc1Cl)Br 7a_100000756401_100011219619 [0,1,0,0,0,1|0,1,0]=3 13275 B15R1.3836 OCC(O)COCc1ccc(cc1Cl)Cl 34a_100000215721_100011219619 [0,1,0,0,0,1|0,0,0]=2 13276 B15R1.3836 OCC(O)COCc1ccc(cc1Cl)Cl 7a_100000215721_100011219619 [0,1,0,0,0,1|0,0,0]=2 13277 B15R1.3836 OCC(O)COCc1ccc(cc1Cl)F 34a_100011219954_100011219619 [0,1,0,0,0,1|0,1,0]=3 13278 B15R1.3836 OCC(O)COCc1ccc(cc1Cl)F 7a_100011219954_100011219619 [0,1,0,0,0,1|0,1,0]=3 13279 B15R1.3836 OCC(O)COCc1ccc(cc1F)Br 34a_100011191541_100011219619 [0,1,0,0,0,1|0,1,0]=3 13280 B15R1.3836 OCC(O)COCc1ccc(cc1F)Br 7a_100011191541_100011219619 [0,1,0,0,0,1|0,1,0]=3 13281 B15R1.3836 OCC(O)COCc1ccc(cc1F)Cl 34a_100011217562_100011219619 [0,1,0,0,0,1|0,0,0]=2 13282 B15R1.3836 OCC(O)COCc1ccc(cc1F)Cl 7a_100011217562_100011219619 [0,1,0,0,0,1|0,0,0]=2 13283 B15R1.3836 OCC(O)COCc1ccc(cc1F)F 34a_100011215441_100011219619 [0,1,0,0,0,1|0,1,0]=3 13284 B15R1.3836 OCC(O)COCc1ccc(cc1F)F 7a_100011215441_100011219619 [0,1,0,0,0,1|0,1,0]=3 13285 B15R1.3836 OCC(O)COCc1ccc(cc1F)I 34a_200010202041_100011219619 [0,1,0,0,0,1|0,1,0]=3 13286 B15R1.3836 OCC(O)COCc1ccc(cc1F)I 7a_200010202041_100011219619 [0,1,0,0,0,1|0,1,0]=3 13287 B15R1.3836 OCC(O)COCc1ccc(cc1I)Br 7a_100010146605_100011219619 [0,1,0,0,0,1|0,1,0]=3 13288 B15R1.3836 OCC(O)COCc1ccc(cc1I)Cl 34a_100000722340_100011219619 [0,1,0,0,0,1|0,0,0]=2 13289 B15R1.3836 OCC(O)COCc1ccc(cc1I)Cl 7a_100000722340_100011219619 [0,1,0,0,0,1|0,0,0]=2 13290 B15R1.3836 OCC(O)COCc1ccc(cc1I)F 34a_100011356828_100011219619 [0,1,0,0,0,1|0,1,0]=3 13291 B15R1.3836 OCC(O)COCc1ccc(cc1I)F 7a_100011356828_100011219619 [0,1,0,0,0,1|0,1,0]=3 13292 B15R1.3836 OCC(O)COCc1ccc(nc1Br)Br 34a_200010005763_100011219619 [0,1,0,0,0,1|1,1,0]=4 13293 B15R1.3836 OCC(O)COCc1ccc(nc1Br)Br 7a_200010005763_100011219619 [0,1,0,0,0,1|1,1,0]=4 13294 B15R1.3836 OCC(O)COCc1ccc(nc1Cl)Cl 34a_100000720492_100011219619 [0,1,0,0,0,1|1,0,0]=3 13295 B15R1.3836 OCC(O)COCc1ccc(nc1Cl)Cl 7a_100000720492_100011219619 [0,1,0,0,0,1|1,0,0]=3 13296 B15R1.3836 OCC(O)COCc1ccc(nc1F)Br 34a_100010065253_100011219619 [0,1,0,0,0,1|1,1,0]=4 13297 B15R1.3836 OCC(O)COCc1ccc(nc1F)Br 7a_100010065253_100011219619 [0,1,0,0,0,1|1,1,0]=4 13298 B15R1.3836 OCC(O)COCc1ccc(nc1F)Cl 34a_100009870654_100011219619 [0,1,0,0,0,1|1,0,0]=3 13299 B15R1.3836 OCC(O)COCc1ccc(nc1F)Cl 7a_100009870654_100011219619 [0,1,0,0,0,1|1,0,0]=3 13300 B15R1.3836 OCC(O)COCc1cnc(cc1Cl)Cl 34a_100000702863_100011219619 [0,1,0,0,0,1|1,0,0]=3 13301 B15R1.3836 OCC(O)COCc1cnc(cc1Cl)Cl 7a_100000702863_100011219619 [0,1,0,0,0,1|1,0,0]=3 13302 B15R1.3836 OCC(O)COCc1cnc(nc1Cl)Cl 34a_200009828795_100011219619 [0,1,0,0,0,1|2,0,0]=4 13303 B15R1.3836 OCC(O)COCc1cnc(nc1Cl)Cl 7a_200009828795_100011219619 [0,1,0,0,0,1|2,0,0]=4 13304 B15R1.3836 OCC(O)COCc1ncc(cc1Br)Br 34a_100012354961_100011219619 [0,1,0,0,0,1|1,1,0]=4 13305 B15R1.3836 OCC(O)COCc1ncc(cc1Br)Br 7a_100012354961_100011219619 [0,1,0,0,0,1|1,1,0]=4 13306 B15R1.3836 OCC(O)COCc1ncc(cc1Br)Cl 34a_100010065237_100011219619 [0,1,0,0,0,1|1,0,0]=3 13307 B15R1.3836 OCC(O)COCc1ncc(cc1Br)Cl 7a_100010065237_100011219619 [0,1,0,0,0,1|1,0,0]=3 13308 B15R1.3836 OCC(O)COCc1ncc(cc1Cl)Br 34a_100010065239_100011219619 [0,1,0,0,0,1|1,1,0]=4 13309 B15R1.3836 OCC(O)COCc1ncc(cc1Cl)Br 7a_100010065239_100011219619 [0,1,0,0,0,1|1,1,0]=4 13310 B15R1.3836 OCC(O)COCc1ncc(cc1Cl)Cl 34a_100103146734_100011219619 [0,1,0,0,0,1|1,0,0]=3 13311 B15R1.3836 OCC(O)COCc1ncc(cc1Cl)Cl 7a_100103146734_100011219619 [0,1,0,0,0,1|1,0,0]=3 13312 B15R1.3836 OCC(O)COCc1ncc(cc1F)Br 34a_100010065252_100011219619 [0,1,0,0,0,1|1,1,0]=4 13313 B15R1.3836 OCC(O)COCc1ncc(cc1F)Br 7a_100010065252_100011219619 [0,1,0,0,0,1|1,1,0]=4 13314 B15R1.3836 OCC(O)COCc1ncc(cc1F)Cl 34a_100009885607_100011219619 [0,1,0,0,0,1|1,0,0]=3 13315 B15R1.3836 OCC(O)COCc1ncc(cc1F)Cl 7a_100009885607_100011219619 [0,1,0,0,0,1|1,0,0]=3 13316 B15R1.3836 OCC(O)COCc1ncc(cc1F)F 34a_100000104222_100011219619 [0,1,0,0,0,1|1,1,0]=4 13317 B15R1.3836 OCC(O)COCc1ncc(cc1F)F 7a_100000104222_100011219619 [0,1,0,0,0,1|1,1,0]=4 13318 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)Br 62a_100011219619_200012351560 [0,1,0,0,0,1|0,2,0]=4 13319 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)Br 62a_200012351560_100011219619 [0,1,0,0,0,1|0,2,0]=4 13320 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)Cl 62a_100000755608_100011219619 [0,1,0,0,0,1|0,1,0]=3 13321 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)Cl 62a_100011219619_100000755608 [0,1,0,0,0,1|0,1,0]=3 13322 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)F 62a_100000243222_100011219619 [0,1,0,0,0,1|0,2,0]=4 13323 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)F 62a_100011219619_100000243222 [0,1,0,0,0,1|0,2,0]=4 13324 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)I 62a_100010146610_100011219619 [0,1,0,0,0,1|0,2,0]=4 13325 B15R1.3836 OCC(O)CSCc1ccc(cc1Br)I 62a_100011219619_100010146610 [0,1,0,0,0,1|0,2,0]=4 13326 B15R1.3836 OCC(O)CSCc1ccc(cc1Cl)Br 62a_100011219619_100011740631 [0,1,0,0,0,1|0,2,0]=4 13327 B15R1.3836 OCC(O)CSCc1ccc(cc1Cl)Br 62a_100011740631_100011219619 [0,1,0,0,0,1|0,2,0]=4 13328 B15R1.3836 OCC(O)CSCc1ccc(cc1Cl)Cl 62a_100000188473_100011219619 [0,1,0,0,0,1|0,1,0]=3 13329 B15R1.3836 OCC(O)CSCc1ccc(cc1Cl)Cl 62a_100011219619_100000188473 [0,1,0,0,0,1|0,1,0]=3 13330 B15R1.3836 OCC(O)CSCc1ccc(cc1Cl)F 62a_100000187853_100011219619 [0,1,0,0,0,1|0,2,0]=4 13331 B15R1.3836 OCC(O)CSCc1ccc(cc1Cl)F 62a_100011219619_100000187853 [0,1,0,0,0,1|0,2,0]=4 13332 B15R1.3836 OCC(O)CSCc1ccc(cc1F)Br 62a_100000211606_100011219619 [0,1,0,0,0,1|0,2,0]=4 13333 B15R1.3836 OCC(O)CSCc1ccc(cc1F)Br 62a_100011219619_100000211606 [0,1,0,0,0,1|0,2,0]=4 13334 B15R1.3836 OCC(O)CSCc1ccc(cc1F)Cl 62a_100000709361_100011219619 [0,1,0,0,0,1|0,1,0]=3 13335 B15R1.3836 OCC(O)CSCc1ccc(cc1F)Cl 62a_100011219619_100000709361 [0,1,0,0,0,1|0,1,0]=3 13336 B15R1.3836 OCC(O)CSCc1ccc(cc1F)F 62a_100000748237_100011219619 [0,1,0,0,0,1|0,2,0]=4 13337 B15R1.3836 OCC(O)CSCc1ccc(cc1F)F 62a_100011219619_100000748237 [0,1,0,0,0,1|0,2,0]=4 13338 B15R1.3836 OCC(O)CSCc1ccc(cc1F)I 62a_100010244991_100011219619 [0,1,0,0,0,1|0,2,0]=4 13339 B15R1.3836 OCC(O)CSCc1ccc(cc1F)I 62a_100011219619_100010244991 [0,1,0,0,0,1|0,2,0]=4 13340 B15R1.3836 OCC(O)CSCc1ccc(cc1I)Br 62a_100010146615_100011219619 [0,1,0,0,0,1|0,2,0]=4 13341 B15R1.3836 OCC(O)CSCc1ccc(cc1I)Br 62a_100011219619_100010146615 [0,1,0,0,0,1|0,2,0]=4 13342 B15R1.3836 OCC(O)CSCc1ccc(cc1I)Cl 62a_100010254388_100011219619 [0,1,0,0,0,1|0,1,0]=3 13343 B15R1.3836 OCC(O)CSCc1ccc(cc1I)Cl 62a_100011219619_100010254388 [0,1,0,0,0,1|0,1,0]=3 13344 B15R1.3836 OCC(O)CSCc1ccc(cc1I)F 62a_100011219619_100012354799 [0,1,0,0,0,1|0,2,0]=4 13345 B15R1.3836 OCC(O)CSCc1ccc(cc1I)F 62a_100012354799_100011219619 [0,1,0,0,0,1|0,2,0]=4 13346 B15R1.3836 OCC(O)CSCc1ccc(nc1Cl)Cl 62a_100000722033_100011219619 [0,1,0,0,0,1|1,1,0]=4 13347 B15R1.3836 OCC(O)CSCc1ccc(nc1Cl)Cl 62a_100011219619_100000722033 [0,1,0,0,0,1|1,1,0]=4 13348 B15R1.3836 OCC(O)CSCc1cnc(cc1Cl)Cl 62a_100011219619_100011997056 [0,1,0,0,0,1|1,1,0]=4 13349 B15R1.3836 OCC(O)CSCc1cnc(cc1Cl)Cl 62a_100011997056_100011219619 [0,1,0,0,0,1|1,1,0]=4 13350 B15R1.3836 OCC(O)CSCc1ncc(cc1F)Cl 62a_100011219619_200009879301 [0,1,0,0,0,1|1,1,0]=4 13351 B15R1.3836 OCC(O)CSCc1ncc(cc1F)Cl 62a_200009879301_100011219619 [0,1,0,0,0,1|1,1,0]=4 13352 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)Br 207a_100020644852_100012351556 [0,1,0,0,0,1|1,1,0]=4 13353 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)Br 2230a_100020644852_200012351560 [0,1,0,0,0,1|1,1,0]=4 13354 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)Cl 207a_100020644852_100000687667 [0,1,0,0,0,1|1,0,0]=3 13355 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)Cl 2230a_100020644852_100000755608 [0,1,0,0,0,1|1,0,0]=3 13356 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)F 207a_100020644852_100000685661 [0,1,0,0,0,1|1,1,0]=4 13357 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)F 2230a_100020644852_100000243222 [0,1,0,0,0,1|1,1,0]=4 13358 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)I 207a_100020644852_100010185650 [0,1,0,0,0,1|1,1,0]=4 13359 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Br)I 2230a_100020644852_100010146610 [0,1,0,0,0,1|1,1,0]=4 13360 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Cl)Br 207a_100020644852_100000764164 [0,1,0,0,0,1|1,1,0]=4 13361 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Cl)Br 2230a_100020644852_100011740631 [0,1,0,0,0,1|1,1,0]=4 13362 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Cl)Cl 207a_100020644852_100000188887 [0,1,0,0,0,1|1,0,0]=3 13363 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Cl)Cl 2230a_100020644852_100000188473 [0,1,0,0,0,1|1,0,0]=3 13364 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Cl)F 207a_100020644852_100000752949 [0,1,0,0,0,1|1,1,0]=4 13365 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Cl)F 2230a_100020644852_100011216360 [0,1,0,0,0,1|1,1,0]=4 13366 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1Cl)I 207a_100020644852_100000727542 [0,1,0,0,0,1|1,1,0]=4 13367 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)Br 207a_100020644852_100000211676 [0,1,0,0,0,1|1,1,0]=4 13368 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)Br 2230a_100020644852_100000211606 [0,1,0,0,0,1|1,1,0]=4 13369 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)Cl 207a_100020644852_100000697372 [0,1,0,0,0,1|1,0,0]=3 13370 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)Cl 2230a_100020644852_100000709361 [0,1,0,0,0,1|1,0,0]=3 13371 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)F 207a_100020644852_100000211964 [0,1,0,0,0,1|1,1,0]=4 13372 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)F 2230a_100020644852_100000748237 [0,1,0,0,0,1|1,1,0]=4 13373 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)I 207a_100020644852_100000050965 [0,1,0,0,0,1|1,1,0]=4 13374 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1F)I 2230a_100020644852_100010244991 [0,1,0,0,0,1|1,1,0]=4 13375 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1I)Br 207a_100020644852_100010146562 [0,1,0,0,0,1|1,1,0]=4 13376 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1I)Br 2230a_100020644852_100010146615 [0,1,0,0,0,1|1,1,0]=4 13377 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1I)Cl 2230a_100020644852_100010254388 [0,1,0,0,0,1|1,0,0]=3 13378 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1I)F 207a_100020644852_100010254405 [0,1,0,0,0,1|1,1,0]=4 13379 B15R1.3836 OC[C@@H](O)CNCc1ccc(cc1I)F 2230a_100020644852_100012354799 [0,1,0,0,0,1|1,1,0]=4 13380 B15R1.3836 OC[C@@H](O)CNCc1ccc(nc1Cl)Cl 2230a_100020644852_100000722033 [0,1,0,0,0,1|2,0,0]=4 13381 B15R1.3836 OC[C@@H](O)CNCc1cnc(cc1Cl)Cl 2230a_100020644852_100011997056 [0,1,0,0,0,1|2,0,0]=4 13382 B15R1.3836 OC[C@@H](O)CNCc1ncc(cc1Br)Cl 207a_100020644852_100010064872 [0,1,0,0,0,1|2,0,0]=4 13383 B15R1.3836 OC[C@@H](O)CNCc1ncc(cc1Cl)Cl 207a_100020644852_100011361609 [0,1,0,0,0,1|2,0,0]=4 13384 B15R1.3836 OC[C@@H](O)CNCc1ncc(cc1F)Cl 207a_100020644852_100009858488 [0,1,0,0,0,1|2,0,0]=4 13385 B15R1.3836 OC[C@@H](O)CNCc1ncc(cc1F)Cl 2230a_100020644852_200009879301 [0,1,0,0,0,1|2,0,0]=4 13386 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1Br)Cl 207a_100015665980_100000687667 [0,1,0,0,0,1|2,0,0]=4 13387 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1Br)Cl 270004a_100015665980_100000687667 [0,1,0,0,0,1|2,0,0]=4 13388 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1Br)Cl 34a_100015665980_100000755608 [0,1,0,0,0,1|2,0,0]=4 13389 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1Cl)Cl 207a_100015665980_100000188887 [0,1,0,0,0,1|2,0,0]=4 13390 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1Cl)Cl 270004a_100015665980_100000188887 [0,1,0,0,0,1|2,0,0]=4 13391 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1Cl)Cl 34a_100015665980_100000188473 [0,1,0,0,0,1|2,0,0]=4 13392 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1F)Cl 207a_100015665980_100000697372 [0,1,0,0,0,1|2,0,0]=4 13393 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1F)Cl 270004a_100015665980_100000697372 [0,1,0,0,0,1|2,0,0]=4 13394 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1F)Cl 34a_100015665980_100000709361 [0,1,0,0,0,1|2,0,0]=4 13395 B15R1.3836 OC[C@H](F)CNCc1ccc(cc1I)Cl 34a_100015665980_100010254388 [0,1,0,0,0,1|2,0,0]=4 13396 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1Br)Cl 34a_100102692131_100009815848 [0,1,0,0,0,1|1,0,0]=3 13397 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1Br)F 34a_100000708791_100009815848 [0,1,0,0,0,1|1,1,0]=4 13398 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1Cl)Br 34a_100020628970_100009815848 [0,1,0,0,0,1|1,1,0]=4 13399 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1Cl)Cl 34a_100000174880_100009815848 [0,1,0,0,0,1|1,0,0]=3 13400 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1Cl)F 34a_100000174946_100009815848 [0,1,0,0,0,1|1,1,0]=4 13401 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1Cl)O 34a_200161156549_100009815848 [0,1,0,0,0,1|2,0,0]=4 13402 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1F)Br 34a_100000754580_100009815848 [0,1,0,0,0,1|1,1,0]=4 13403 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1F)Cl 34a_100000708496_100009815848 [0,1,0,0,0,1|1,0,0]=3 13404 B15R1.3836 OC[C@H](O)CNCc1ccc(cc1F)F 34a_100000737868_100009815848 [0,1,0,0,0,1|1,1,0]=4 13405 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Br)Br 34a_100012357508_100009815848 [0,1,0,0,0,1|0,1,0]=3 13406 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Br)Br 7a_100012357508_100009815848 [0,1,0,0,0,1|0,1,0]=3 13407 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Br)Cl 34a_100000707881_100009815848 [0,1,0,0,0,1|0,0,0]=2 13408 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Br)Cl 7a_100000707881_100009815848 [0,1,0,0,0,1|0,0,0]=2 13409 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Br)F 34a_100000744086_100009815848 [0,1,0,0,0,1|0,1,0]=3 13410 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Br)F 7a_100000744086_100009815848 [0,1,0,0,0,1|0,1,0]=3 13411 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Br)I 7a_100010240206_100009815848 [0,1,0,0,0,1|0,1,0]=3 13412 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Cl)Br 34a_100000756401_100009815848 [0,1,0,0,0,1|0,1,0]=3 13413 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Cl)Br 7a_100000756401_100009815848 [0,1,0,0,0,1|0,1,0]=3 13414 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Cl)Cl 34a_100000215721_100009815848 [0,1,0,0,0,1|0,0,0]=2 13415 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Cl)Cl 7a_100000215721_100009815848 [0,1,0,0,0,1|0,0,0]=2 13416 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Cl)F 34a_100011219954_100009815848 [0,1,0,0,0,1|0,1,0]=3 13417 B15R1.3836 OC[C@H](O)COCc1ccc(cc1Cl)F 7a_100011219954_100009815848 [0,1,0,0,0,1|0,1,0]=3 13418 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)Br 34a_100011191541_100009815848 [0,1,0,0,0,1|0,1,0]=3 13419 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)Br 7a_100011191541_100009815848 [0,1,0,0,0,1|0,1,0]=3 13420 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)Cl 34a_100011217562_100009815848 [0,1,0,0,0,1|0,0,0]=2 13421 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)Cl 7a_100011217562_100009815848 [0,1,0,0,0,1|0,0,0]=2 13422 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)F 34a_100011215441_100009815848 [0,1,0,0,0,1|0,1,0]=3 13423 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)F 7a_100011215441_100009815848 [0,1,0,0,0,1|0,1,0]=3 13424 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)I 34a_200010202041_100009815848 [0,1,0,0,0,1|0,1,0]=3 13425 B15R1.3836 OC[C@H](O)COCc1ccc(cc1F)I 7a_200010202041_100009815848 [0,1,0,0,0,1|0,1,0]=3 13426 B15R1.3836 OC[C@H](O)COCc1ccc(cc1I)Br 7a_100010146605_100009815848 [0,1,0,0,0,1|0,1,0]=3 13427 B15R1.3836 OC[C@H](O)COCc1ccc(cc1I)Cl 34a_100000722340_100009815848 [0,1,0,0,0,1|0,0,0]=2 13428 B15R1.3836 OC[C@H](O)COCc1ccc(cc1I)Cl 7a_100000722340_100009815848 [0,1,0,0,0,1|0,0,0]=2 13429 B15R1.3836 OC[C@H](O)COCc1ccc(cc1I)F 34a_100011356828_100009815848 [0,1,0,0,0,1|0,1,0]=3 13430 B15R1.3836 OC[C@H](O)COCc1ccc(cc1I)F 7a_100011356828_100009815848 [0,1,0,0,0,1|0,1,0]=3 13431 B15R1.3836 OC[C@H](O)COCc1ccc(nc1Br)Br 34a_200010005763_100009815848 [0,1,0,0,0,1|1,1,0]=4 13432 B15R1.3836 OC[C@H](O)COCc1ccc(nc1Br)Br 7a_200010005763_100009815848 [0,1,0,0,0,1|1,1,0]=4 13433 B15R1.3836 OC[C@H](O)COCc1ccc(nc1Cl)Cl 34a_100000720492_100009815848 [0,1,0,0,0,1|1,0,0]=3 13434 B15R1.3836 OC[C@H](O)COCc1ccc(nc1Cl)Cl 7a_100000720492_100009815848 [0,1,0,0,0,1|1,0,0]=3 13435 B15R1.3836 OC[C@H](O)COCc1ccc(nc1F)Br 34a_100010065253_100009815848 [0,1,0,0,0,1|1,1,0]=4 13436 B15R1.3836 OC[C@H](O)COCc1ccc(nc1F)Br 7a_100010065253_100009815848 [0,1,0,0,0,1|1,1,0]=4 13437 B15R1.3836 OC[C@H](O)COCc1ccc(nc1F)Cl 34a_100009870654_100009815848 [0,1,0,0,0,1|1,0,0]=3 13438 B15R1.3836 OC[C@H](O)COCc1ccc(nc1F)Cl 7a_100009870654_100009815848 [0,1,0,0,0,1|1,0,0]=3 13439 B15R1.3836 OC[C@H](O)COCc1cnc(cc1Cl)Cl 34a_100000702863_100009815848 [0,1,0,0,0,1|1,0,0]=3 13440 B15R1.3836 OC[C@H](O)COCc1cnc(cc1Cl)Cl 7a_100000702863_100009815848 [0,1,0,0,0,1|1,0,0]=3 13441 B15R1.3836 OC[C@H](O)COCc1cnc(nc1Cl)Cl 34a_200009828795_100009815848 [0,1,0,0,0,1|2,0,0]=4 13442 B15R1.3836 OC[C@H](O)COCc1cnc(nc1Cl)Cl 7a_200009828795_100009815848 [0,1,0,0,0,1|2,0,0]=4 13443 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Br)Br 34a_100012354961_100009815848 [0,1,0,0,0,1|1,1,0]=4 13444 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Br)Br 7a_100012354961_100009815848 [0,1,0,0,0,1|1,1,0]=4 13445 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Br)Cl 34a_100010065237_100009815848 [0,1,0,0,0,1|1,0,0]=3 13446 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Br)Cl 7a_100010065237_100009815848 [0,1,0,0,0,1|1,0,0]=3 13447 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Cl)Br 34a_100010065239_100009815848 [0,1,0,0,0,1|1,1,0]=4 13448 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Cl)Br 7a_100010065239_100009815848 [0,1,0,0,0,1|1,1,0]=4 13449 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Cl)Cl 34a_100103146734_100009815848 [0,1,0,0,0,1|1,0,0]=3 13450 B15R1.3836 OC[C@H](O)COCc1ncc(cc1Cl)Cl 7a_100103146734_100009815848 [0,1,0,0,0,1|1,0,0]=3 13451 B15R1.3836 OC[C@H](O)COCc1ncc(cc1F)Br 34a_100010065252_100009815848 [0,1,0,0,0,1|1,1,0]=4 13452 B15R1.3836 OC[C@H](O)COCc1ncc(cc1F)Br 7a_100010065252_100009815848 [0,1,0,0,0,1|1,1,0]=4 13453 B15R1.3836 OC[C@H](O)COCc1ncc(cc1F)Cl 34a_100009885607_100009815848 [0,1,0,0,0,1|1,0,0]=3 13454 B15R1.3836 OC[C@H](O)COCc1ncc(cc1F)Cl 7a_100009885607_100009815848 [0,1,0,0,0,1|1,0,0]=3 13455 B15R1.3836 OC[C@H](O)COCc1ncc(cc1F)F 34a_100000104222_100009815848 [0,1,0,0,0,1|1,1,0]=4 13456 B15R1.3836 OC[C@H](O)COCc1ncc(cc1F)F 7a_100000104222_100009815848 [0,1,0,0,0,1|1,1,0]=4 13457 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)Br 62a_100009815848_200012351560 [0,1,0,0,0,1|0,2,0]=4 13458 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)Br 62a_200012351560_100009815848 [0,1,0,0,0,1|0,2,0]=4 13459 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)Cl 62a_100000755608_100009815848 [0,1,0,0,0,1|0,1,0]=3 13460 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)Cl 62a_100009815848_100000755608 [0,1,0,0,0,1|0,1,0]=3 13461 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)F 62a_100000243222_100009815848 [0,1,0,0,0,1|0,2,0]=4 13462 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)F 62a_100009815848_100000243222 [0,1,0,0,0,1|0,2,0]=4 13463 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)I 62a_100009815848_100010146610 [0,1,0,0,0,1|0,2,0]=4 13464 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Br)I 62a_100010146610_100009815848 [0,1,0,0,0,1|0,2,0]=4 13465 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Cl)Br 62a_100009815848_100011740631 [0,1,0,0,0,1|0,2,0]=4 13466 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Cl)Br 62a_100011740631_100009815848 [0,1,0,0,0,1|0,2,0]=4 13467 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Cl)Cl 62a_100000188473_100009815848 [0,1,0,0,0,1|0,1,0]=3 13468 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Cl)Cl 62a_100009815848_100000188473 [0,1,0,0,0,1|0,1,0]=3 13469 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Cl)F 62a_100000187853_100009815848 [0,1,0,0,0,1|0,2,0]=4 13470 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1Cl)F 62a_100009815848_100000187853 [0,1,0,0,0,1|0,2,0]=4 13471 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)Br 62a_100000211606_100009815848 [0,1,0,0,0,1|0,2,0]=4 13472 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)Br 62a_100009815848_100000211606 [0,1,0,0,0,1|0,2,0]=4 13473 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)Cl 62a_100000709361_100009815848 [0,1,0,0,0,1|0,1,0]=3 13474 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)Cl 62a_100009815848_100000709361 [0,1,0,0,0,1|0,1,0]=3 13475 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)F 62a_100000748237_100009815848 [0,1,0,0,0,1|0,2,0]=4 13476 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)F 62a_100009815848_100000748237 [0,1,0,0,0,1|0,2,0]=4 13477 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)I 62a_100009815848_100010244991 [0,1,0,0,0,1|0,2,0]=4 13478 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1F)I 62a_100010244991_100009815848 [0,1,0,0,0,1|0,2,0]=4 13479 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1I)Br 62a_100009815848_100010146615 [0,1,0,0,0,1|0,2,0]=4 13480 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1I)Br 62a_100010146615_100009815848 [0,1,0,0,0,1|0,2,0]=4 13481 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1I)Cl 62a_100009815848_100010254388 [0,1,0,0,0,1|0,1,0]=3 13482 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1I)Cl 62a_100010254388_100009815848 [0,1,0,0,0,1|0,1,0]=3 13483 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1I)F 62a_100009815848_100012354799 [0,1,0,0,0,1|0,2,0]=4 13484 B15R1.3836 OC[C@H](O)CSCc1ccc(cc1I)F 62a_100012354799_100009815848 [0,1,0,0,0,1|0,2,0]=4 13485 B15R1.3836 OC[C@H](O)CSCc1ccc(nc1Cl)Cl 62a_100000722033_100009815848 [0,1,0,0,0,1|1,1,0]=4 13486 B15R1.3836 OC[C@H](O)CSCc1ccc(nc1Cl)Cl 62a_100009815848_100000722033 [0,1,0,0,0,1|1,1,0]=4 13487 B15R1.3836 OC[C@H](O)CSCc1cnc(cc1Cl)Cl 62a_100009815848_100011997056 [0,1,0,0,0,1|1,1,0]=4 13488 B15R1.3836 OC[C@H](O)CSCc1cnc(cc1Cl)Cl 62a_100011997056_100009815848 [0,1,0,0,0,1|1,1,0]=4 13489 B15R1.3836 OC[C@H](O)CSCc1ncc(cc1F)Cl 62a_100009815848_200009879301 [0,1,0,0,0,1|1,1,0]=4 13490 B15R1.3836 OC[C@H](O)CSCc1ncc(cc1F)Cl 62a_200009879301_100009815848 [0,1,0,0,0,1|1,1,0]=4 13491 B15R1.3836 O[C@@H](CF)CNCc1ccc(cc1Br)Cl 34a_100102692131_100015614560 [0,1,0,0,0,1|2,0,0]=4 13492 B15R1.3836 O[C@@H](CF)CNCc1ccc(cc1Cl)Cl 34a_100000174880_100015614560 [0,1,0,0,0,1|2,0,0]=4 13493 B15R1.3836 O[C@@H](CF)CNCc1ccc(cc1F)Cl 34a_100000708496_100015614560 [0,1,0,0,0,1|2,0,0]=4 13494 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Br)Br 34a_100012357508_100015614560 [0,1,0,0,0,1|1,1,0]=4 13495 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Br)Br 7a_100012357508_100015614560 [0,1,0,0,0,1|1,1,0]=4 13496 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Br)Cl 34a_100000707881_100015614560 [0,1,0,0,0,1|1,0,0]=3 13497 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Br)Cl 7a_100000707881_100015614560 [0,1,0,0,0,1|1,0,0]=3 13498 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Br)F 34a_100000744086_100015614560 [0,1,0,0,0,1|1,1,0]=4 13499 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Br)F 7a_100000744086_100015614560 [0,1,0,0,0,1|1,1,0]=4 13500 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Br)I 7a_100010240206_100015614560 [0,1,0,0,0,1|1,1,0]=4 13501 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Cl)Br 34a_100000756401_100015614560 [0,1,0,0,0,1|1,1,0]=4 13502 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Cl)Br 7a_100000756401_100015614560 [0,1,0,0,0,1|1,1,0]=4 13503 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Cl)Cl 34a_100000215721_100015614560 [0,1,0,0,0,1|1,0,0]=3 13504 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Cl)Cl 7a_100000215721_100015614560 [0,1,0,0,0,1|1,0,0]=3 13505 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Cl)F 34a_100011219954_100015614560 [0,1,0,0,0,1|1,1,0]=4 13506 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1Cl)F 7a_100011219954_100015614560 [0,1,0,0,0,1|1,1,0]=4 13507 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)Br 34a_100011191541_100015614560 [0,1,0,0,0,1|1,1,0]=4 13508 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)Br 7a_100011191541_100015614560 [0,1,0,0,0,1|1,1,0]=4 13509 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)Cl 34a_100011217562_100015614560 [0,1,0,0,0,1|1,0,0]=3 13510 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)Cl 7a_100011217562_100015614560 [0,1,0,0,0,1|1,0,0]=3 13511 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)F 34a_100011215441_100015614560 [0,1,0,0,0,1|1,1,0]=4 13512 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)F 7a_100011215441_100015614560 [0,1,0,0,0,1|1,1,0]=4 13513 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)I 34a_200010202041_100015614560 [0,1,0,0,0,1|1,1,0]=4 13514 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1F)I 7a_200010202041_100015614560 [0,1,0,0,0,1|1,1,0]=4 13515 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1I)Br 7a_100010146605_100015614560 [0,1,0,0,0,1|1,1,0]=4 13516 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1I)Cl 34a_100000722340_100015614560 [0,1,0,0,0,1|1,0,0]=3 13517 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1I)Cl 7a_100000722340_100015614560 [0,1,0,0,0,1|1,0,0]=3 13518 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1I)F 34a_100011356828_100015614560 [0,1,0,0,0,1|1,1,0]=4 13519 B15R1.3836 O[C@@H](CF)COCc1ccc(cc1I)F 7a_100011356828_100015614560 [0,1,0,0,0,1|1,1,0]=4 13520 B15R1.3836 O[C@@H](CF)COCc1ccc(nc1Cl)Cl 34a_100000720492_100015614560 [0,1,0,0,0,1|2,0,0]=4 13521 B15R1.3836 O[C@@H](CF)COCc1ccc(nc1Cl)Cl 7a_100000720492_100015614560 [0,1,0,0,0,1|2,0,0]=4 13522 B15R1.3836 O[C@@H](CF)COCc1ccc(nc1F)Cl 34a_100009870654_100015614560 [0,1,0,0,0,1|2,0,0]=4 13523 B15R1.3836 O[C@@H](CF)COCc1ccc(nc1F)Cl 7a_100009870654_100015614560 [0,1,0,0,0,1|2,0,0]=4 13524 B15R1.3836 O[C@@H](CF)COCc1cnc(cc1Cl)Cl 34a_100000702863_100015614560 [0,1,0,0,0,1|2,0,0]=4 13525 B15R1.3836 O[C@@H](CF)COCc1cnc(cc1Cl)Cl 7a_100000702863_100015614560 [0,1,0,0,0,1|2,0,0]=4 13526 B15R1.3836 O[C@@H](CF)COCc1ncc(cc1Br)Cl 34a_100010065237_100015614560 [0,1,0,0,0,1|2,0,0]=4 13527 B15R1.3836 O[C@@H](CF)COCc1ncc(cc1Br)Cl 7a_100010065237_100015614560 [0,1,0,0,0,1|2,0,0]=4 13528 B15R1.3836 O[C@@H](CF)COCc1ncc(cc1Cl)Cl 34a_100103146734_100015614560 [0,1,0,0,0,1|2,0,0]=4 13529 B15R1.3836 O[C@@H](CF)COCc1ncc(cc1Cl)Cl 7a_100103146734_100015614560 [0,1,0,0,0,1|2,0,0]=4 13530 B15R1.3836 O[C@@H](CF)COCc1ncc(cc1F)Cl 34a_100009885607_100015614560 [0,1,0,0,0,1|2,0,0]=4 13531 B15R1.3836 O[C@@H](CF)COCc1ncc(cc1F)Cl 7a_100009885607_100015614560 [0,1,0,0,0,1|2,0,0]=4 13532 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1Br)Cl 62a_100000755608_100015614560 [0,1,0,0,0,1|1,1,0]=4 13533 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1Br)Cl 62a_100015614560_100000755608 [0,1,0,0,0,1|1,1,0]=4 13534 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1Cl)Cl 62a_100000188473_100015614560 [0,1,0,0,0,1|1,1,0]=4 13535 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1Cl)Cl 62a_100015614560_100000188473 [0,1,0,0,0,1|1,1,0]=4 13536 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1F)Cl 62a_100000709361_100015614560 [0,1,0,0,0,1|1,1,0]=4 13537 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1F)Cl 62a_100015614560_100000709361 [0,1,0,0,0,1|1,1,0]=4 13538 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1I)Cl 62a_100010254388_100015614560 [0,1,0,0,0,1|1,1,0]=4 13539 B15R1.3836 O[C@@H](CF)CSCc1ccc(cc1I)Cl 62a_100015614560_100010254388 [0,1,0,0,0,1|1,1,0]=4 13540 B15R1.11630 C=CC(O)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100000730141 [0,1,0,0,0,1|1,0,1]=4 13541 B15R1.11630 C=CC(O)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100000730141 [0,1,0,0,0,1|1,0,1]=4 13542 B15R1.11630 C=CC(O)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000730141 [0,1,0,0,0,1|1,0,1]=4 13543 B15R1.11630 C=CC(O)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000730141 [0,1,0,0,0,1|1,0,1]=4 13544 B15R1.11630 C=CC(O)COCc1ccc(c(c1)F)Cl 34a_100011218299_100000730141 [0,1,0,0,0,1|1,0,1]=4 13545 B15R1.11630 C=CC(O)COCc1ccc(c(c1)F)Cl 7a_100011218299_100000730141 [0,1,0,0,0,1|1,0,1]=4 13546 B15R1.11630 C=CC(O)COCc1ccc(c(c1)N)Cl 34a_106256033963_100000730141 [0,1,0,0,0,1|1,0,1]=4 13547 B15R1.11630 CC(CN)COCc1ccc(c(c1)Br)Cl 34a_100000744482_100012353894 [0,1,0,0,0,1|2,0,0]=4 13548 B15R1.11630 CC(CN)COCc1ccc(c(c1)Cl)Cl 34a_100000744482_100000184707 [0,1,0,0,0,1|2,0,0]=4 13549 B15R1.11630 CC(CN)COCc1ccc(c(c1)F)Cl 34a_100000744482_100011519011 [0,1,0,0,0,1|2,0,0]=4 13550 B15R1.11630 CC(CO)CNCc1ccc(c(c1)Br)Cl 207a_100000744482_100000693810 [0,1,0,0,0,1|2,0,0]=4 13551 B15R1.11630 CC(CO)CNCc1ccc(c(c1)Br)Cl 34a_100000744482_100012353894 [0,1,0,0,0,1|2,0,0]=4 13552 B15R1.11630 CC(CO)CNCc1ccc(c(c1)Cl)Cl 207a_100000744482_100000188533 [0,1,0,0,0,1|2,0,0]=4 13553 B15R1.11630 CC(CO)CNCc1ccc(c(c1)Cl)Cl 34a_100000744482_100000184707 [0,1,0,0,0,1|2,0,0]=4 13554 B15R1.11630 CC(CO)CNCc1ccc(c(c1)F)Cl 207a_100000744482_100000745630 [0,1,0,0,0,1|2,0,0]=4 13555 B15R1.11630 CC(CO)CNCc1ccc(c(c1)F)Cl 34a_100000744482_100011519011 [0,1,0,0,0,1|2,0,0]=4 13556 B15R1.11630 CC(CO)CNCc1ccc(c(c1)I)Cl 207a_100000744482_100010209939 [0,1,0,0,0,1|2,0,0]=4 13557 B15R1.11630 CC(CO)NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100012180447 [0,1,0,0,0,1|2,0,0]=4 13558 B15R1.11630 CC(CO)NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100012180447 [0,1,0,0,0,1|2,0,0]=4 13559 B15R1.11630 CC(CO)OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100012180447 [0,1,0,0,0,1|2,0,0]=4 13560 B15R1.11630 CC(CO)OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100012180447 [0,1,0,0,0,1|2,0,0]=4 13561 B15R1.11630 CC(CO)OCCc1ccc(c(c1)F)Cl 34a_100011934464_100012180447 [0,1,0,0,0,1|2,0,0]=4 13562 B15R1.11630 CC(CO)OCCc1ccc(c(c1)F)Cl 7a_100011934464_100012180447 [0,1,0,0,0,1|2,0,0]=4 13563 B15R1.11630 CC(CO)SCCc1ccc(c(c1)Cl)Cl 62a_100012180447_100011713676 [0,1,0,0,0,1|2,0,0]=4 13564 B15R1.11630 CCC(C)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100000748023 [0,1,0,0,0,1|2,0,0]=4 13565 B15R1.11630 CCC(C)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100000748023 [0,1,0,0,0,1|2,0,0]=4 13566 B15R1.11630 CCC(C)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000748023 [0,1,0,0,0,1|2,0,0]=4 13567 B15R1.11630 CCC(C)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000748023 [0,1,0,0,0,1|2,0,0]=4 13568 B15R1.11630 CCC(C)COCc1ccc(c(c1)F)Cl 34a_100011218299_100000748023 [0,1,0,0,0,1|2,0,0]=4 13569 B15R1.11630 CCC(C)COCc1ccc(c(c1)F)Cl 7a_100011218299_100000748023 [0,1,0,0,0,1|2,0,0]=4 13570 B15R1.11630 CCC(C)COCc1ccc(c(c1)N)Cl 34a_106256033963_100000748023 [0,1,0,0,0,1|2,0,0]=4 13571 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Br)Cl 207a_100011218483_100000693810 [0,1,0,0,0,1|2,0,0]=4 13572 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Br)Cl 2230a_100011218483_100012353894 [0,1,0,0,0,1|2,0,0]=4 13573 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100011218378 [0,1,0,0,0,1|2,0,0]=4 13574 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Br)Cl 270004a_100011218483_100000693810 [0,1,0,0,0,1|2,0,0]=4 13575 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Br)Cl 34a_100012349490_100011218378 [0,1,0,0,0,1|2,0,0]=4 13576 B15R1.11630 CCC(O)CNCc1ccc(c(c1)C)Cl 207a_100011218483_100000698814 [0,1,0,0,0,1|2,0,0]=4 13577 B15R1.11630 CCC(O)CNCc1ccc(c(c1)C)Cl 2230a_100011218483_100012184735 [0,1,0,0,0,1|2,0,0]=4 13578 B15R1.11630 CCC(O)CNCc1ccc(c(c1)C)Cl 270004a_100011218483_100000698814 [0,1,0,0,0,1|2,0,0]=4 13579 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Cl)Cl 207a_100011218483_100000188533 [0,1,0,0,0,1|2,0,0]=4 13580 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100011218378 [0,1,0,0,0,1|2,0,0]=4 13581 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Cl)Cl 2230a_100011218483_100000184707 [0,1,0,0,0,1|2,0,0]=4 13582 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Cl)Cl 270004a_100011218483_100000188533 [0,1,0,0,0,1|2,0,0]=4 13583 B15R1.11630 CCC(O)CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100011218378 [0,1,0,0,0,1|2,0,0]=4 13584 B15R1.11630 CCC(O)CNCc1ccc(c(c1)F)Cl 207a_100011218483_100000745630 [0,1,0,0,0,1|2,0,0]=4 13585 B15R1.11630 CCC(O)CNCc1ccc(c(c1)F)Cl 2230a_100011218483_100000716492 [0,1,0,0,0,1|2,0,0]=4 13586 B15R1.11630 CCC(O)CNCc1ccc(c(c1)F)Cl 2230a_100011219866_100011218378 [0,1,0,0,0,1|2,0,0]=4 13587 B15R1.11630 CCC(O)CNCc1ccc(c(c1)F)Cl 270004a_100011218483_100000745630 [0,1,0,0,0,1|2,0,0]=4 13588 B15R1.11630 CCC(O)CNCc1ccc(c(c1)F)Cl 34a_100011219866_100011218378 [0,1,0,0,0,1|2,0,0]=4 13589 B15R1.11630 CCC(O)CNCc1ccc(c(c1)I)Cl 207a_100011218483_100010209939 [0,1,0,0,0,1|2,0,0]=4 13590 B15R1.11630 CCC(O)CNCc1ccc(c(c1)I)Cl 270004a_100011218483_100010209939 [0,1,0,0,0,1|2,0,0]=4 13591 B15R1.11630 CCC(O)CNCc1ccc(c(c1)O)Cl 34a_100020636435_100011218378 [0,1,0,0,0,1|2,0,0]=4 13592 B15R1.11630 CCC(O)COCc1ccc(c(c1)Br)C 34a_100000708995_100011218378 [0,1,0,0,0,1|2,0,0]=4 13593 B15R1.11630 CCC(O)COCc1ccc(c(c1)Br)C 7a_100000708995_100011218378 [0,1,0,0,0,1|2,0,0]=4 13594 B15R1.11630 CCC(O)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100011218378 [0,1,0,0,0,1|1,0,0]=3 13595 B15R1.11630 CCC(O)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100011218378 [0,1,0,0,0,1|1,0,0]=3 13596 B15R1.11630 CCC(O)COCc1ccc(c(c1)Br)F 34a_100000246287_100011218378 [0,1,0,0,0,1|1,1,0]=4 13597 B15R1.11630 CCC(O)COCc1ccc(c(c1)Br)F 7a_100000246287_100011218378 [0,1,0,0,0,1|1,1,0]=4 13598 B15R1.11630 CCC(O)COCc1ccc(c(c1)C)Br 34a_100000718852_100011218378 [0,1,0,0,0,1|1,1,0]=4 13599 B15R1.11630 CCC(O)COCc1ccc(c(c1)C)Br 7a_100000718852_100011218378 [0,1,0,0,0,1|1,1,0]=4 13600 B15R1.11630 CCC(O)COCc1ccc(c(c1)C)C 34a_100011215342_100011218378 [0,1,0,0,0,1|2,0,0]=4 13601 B15R1.11630 CCC(O)COCc1ccc(c(c1)C)C 7a_100011215342_100011218378 [0,1,0,0,0,1|2,0,0]=4 13602 B15R1.11630 CCC(O)COCc1ccc(c(c1)C)F 34a_100011219793_100011218378 [0,1,0,0,0,1|1,1,0]=4 13603 B15R1.11630 CCC(O)COCc1ccc(c(c1)C)F 7a_100011219793_100011218378 [0,1,0,0,0,1|1,1,0]=4 13604 B15R1.11630 CCC(O)COCc1ccc(c(c1)C)N 34a_200011997030_100011218378 [0,1,0,0,0,1|2,0,0]=4 13605 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)Br 34a_100000709168_100011218378 [0,1,0,0,0,1|1,1,0]=4 13606 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)Br 7a_100000709168_100011218378 [0,1,0,0,0,1|1,1,0]=4 13607 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)C 34a_100011290783_100011218378 [0,1,0,0,0,1|2,0,0]=4 13608 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)C 7a_100011290783_100011218378 [0,1,0,0,0,1|2,0,0]=4 13609 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100011218378 [0,1,0,0,0,1|1,0,0]=3 13610 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100011218378 [0,1,0,0,0,1|1,0,0]=3 13611 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)F 34a_100011217911_100011218378 [0,1,0,0,0,1|1,1,0]=4 13612 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)F 7a_100011217911_100011218378 [0,1,0,0,0,1|1,1,0]=4 13613 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)I 34a_100000718186_100011218378 [0,1,0,0,0,1|1,1,0]=4 13614 B15R1.11630 CCC(O)COCc1ccc(c(c1)Cl)I 7a_100000718186_100011218378 [0,1,0,0,0,1|1,1,0]=4 13615 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)Br 34a_100011533735_100011218378 [0,1,0,0,0,1|1,1,0]=4 13616 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)Br 7a_100011533735_100011218378 [0,1,0,0,0,1|1,1,0]=4 13617 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)C 34a_100000702247_100011218378 [0,1,0,0,0,1|2,0,0]=4 13618 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)C 7a_100000702247_100011218378 [0,1,0,0,0,1|2,0,0]=4 13619 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)Cl 34a_100011218299_100011218378 [0,1,0,0,0,1|1,0,0]=3 13620 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)Cl 7a_100011218299_100011218378 [0,1,0,0,0,1|1,0,0]=3 13621 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)F 34a_100011215442_100011218378 [0,1,0,0,0,1|1,1,0]=4 13622 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)F 7a_100011215442_100011218378 [0,1,0,0,0,1|1,1,0]=4 13623 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)I 34a_100010149597_100011218378 [0,1,0,0,0,1|1,1,0]=4 13624 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)I 7a_100010149597_100011218378 [0,1,0,0,0,1|1,1,0]=4 13625 B15R1.11630 CCC(O)COCc1ccc(c(c1)F)N 34a_100011217239_100011218378 [0,1,0,0,0,1|2,0,0]=4 13626 B15R1.11630 CCC(O)COCc1ccc(c(c1)I)C 34a_100000050133_100011218378 [0,1,0,0,0,1|2,0,0]=4 13627 B15R1.11630 CCC(O)COCc1ccc(c(c1)I)C 7a_100000050133_100011218378 [0,1,0,0,0,1|2,0,0]=4 13628 B15R1.11630 CCC(O)COCc1ccc(c(c1)I)F 34a_100000049585_100011218378 [0,1,0,0,0,1|1,1,0]=4 13629 B15R1.11630 CCC(O)COCc1ccc(c(c1)I)F 7a_100000049585_100011218378 [0,1,0,0,0,1|1,1,0]=4 13630 B15R1.11630 CCC(O)COCc1ccc(c(c1)N)Br 34a_100012347568_100011218378 [0,1,0,0,0,1|1,1,0]=4 13631 B15R1.11630 CCC(O)COCc1ccc(c(c1)N)C 34a_100000758420_100011218378 [0,1,0,0,0,1|2,0,0]=4 13632 B15R1.11630 CCC(O)COCc1ccc(c(c1)N)Cl 34a_106256033963_100011218378 [0,1,0,0,0,1|1,0,0]=3 13633 B15R1.11630 CCC(O)COCc1ccc(c(c1)N)F 34a_102125399562_100011218378 [0,1,0,0,0,1|1,1,0]=4 13634 B15R1.11630 CCC(O)COCc1cnc(c(c1)Br)Cl 34a_100010201731_100011218378 [0,1,0,0,0,1|2,0,0]=4 13635 B15R1.11630 CCC(O)COCc1cnc(c(c1)Br)Cl 7a_100010201731_100011218378 [0,1,0,0,0,1|2,0,0]=4 13636 B15R1.11630 CCC(O)COCc1cnc(c(c1)C)Cl 34a_200000092119_100011218378 [0,1,0,0,0,1|2,0,0]=4 13637 B15R1.11630 CCC(O)COCc1cnc(c(c1)C)Cl 7a_200000092119_100011218378 [0,1,0,0,0,1|2,0,0]=4 13638 B15R1.11630 CCC(O)COCc1cnc(c(c1)Cl)Cl 34a_100000042784_100011218378 [0,1,0,0,0,1|2,0,0]=4 13639 B15R1.11630 CCC(O)COCc1cnc(c(c1)Cl)Cl 7a_100000042784_100011218378 [0,1,0,0,0,1|2,0,0]=4 13640 B15R1.11630 CCC(O)COCc1cnc(c(c1)I)Cl 34a_200015217190_100011218378 [0,1,0,0,0,1|2,0,0]=4 13641 B15R1.11630 CCC(O)COCc1cnc(c(c1)I)Cl 7a_200015217190_100011218378 [0,1,0,0,0,1|2,0,0]=4 13642 B15R1.11630 CCC(O)CSCc1ccc(c(c1)Br)Cl 62a_100011218378_100012353894 [0,1,0,0,0,1|1,1,0]=4 13643 B15R1.11630 CCC(O)CSCc1ccc(c(c1)Br)Cl 62a_100012353894_100011218378 [0,1,0,0,0,1|1,1,0]=4 13644 B15R1.11630 CCC(O)CSCc1ccc(c(c1)C)Cl 62a_100011218378_100012184735 [0,1,0,0,0,1|1,1,0]=4 13645 B15R1.11630 CCC(O)CSCc1ccc(c(c1)C)Cl 62a_100012184735_100011218378 [0,1,0,0,0,1|1,1,0]=4 13646 B15R1.11630 CCC(O)CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100011218378 [0,1,0,0,0,1|1,1,0]=4 13647 B15R1.11630 CCC(O)CSCc1ccc(c(c1)Cl)Cl 62a_100011218378_100000184707 [0,1,0,0,0,1|1,1,0]=4 13648 B15R1.11630 CCC(O)CSCc1ccc(c(c1)F)Cl 62a_100000716492_100011218378 [0,1,0,0,0,1|1,1,0]=4 13649 B15R1.11630 CCC(O)CSCc1ccc(c(c1)F)Cl 62a_100011218378_100000716492 [0,1,0,0,0,1|1,1,0]=4 13650 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100009816398 [0,1,0,0,0,1|2,0,0]=4 13651 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)Br)Cl 7a_100009816381_100012353894 [0,1,0,0,0,1|2,0,0]=4 13652 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100009816398 [0,1,0,0,0,1|2,0,0]=4 13653 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)C)Cl 7a_100009816381_100012184735 [0,1,0,0,0,1|2,0,0]=4 13654 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100009816398 [0,1,0,0,0,1|2,0,0]=4 13655 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100009816398 [0,1,0,0,0,1|2,0,0]=4 13656 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)Cl)Cl 7a_100009816381_100000184707 [0,1,0,0,0,1|2,0,0]=4 13657 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)F)Cl 34a_100011218299_100009816398 [0,1,0,0,0,1|2,0,0]=4 13658 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)F)Cl 7a_100009816381_100000716492 [0,1,0,0,0,1|2,0,0]=4 13659 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)F)Cl 7a_100011218299_100009816398 [0,1,0,0,0,1|2,0,0]=4 13660 B15R1.11630 CC[C@H](C)COCc1ccc(c(c1)N)Cl 34a_106256033963_100009816398 [0,1,0,0,0,1|2,0,0]=4 13661 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000059175 [0,1,0,0,0,1|2,0,0]=4 13662 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000059175 [0,1,0,0,0,1|2,0,0]=4 13663 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000059175 [0,1,0,0,0,1|2,0,0]=4 13664 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000059175 [0,1,0,0,0,1|2,0,0]=4 13665 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000059175 [0,1,0,0,0,1|2,0,0]=4 13666 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)F)Cl 34a_100011219866_100000059175 [0,1,0,0,0,1|2,0,0]=4 13667 B15R1.11630 C[C@@H](CO)CNCc1ccc(c(c1)O)Cl 34a_100020636435_100000059175 [0,1,0,0,0,1|2,0,0]=4 13668 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100000059175 [0,1,0,0,0,1|1,0,0]=3 13669 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100000059175 [0,1,0,0,0,1|1,0,0]=3 13670 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Br)F 34a_100000246287_100000059175 [0,1,0,0,0,1|1,1,0]=4 13671 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Br)F 7a_100000246287_100000059175 [0,1,0,0,0,1|1,1,0]=4 13672 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)Br 34a_100000709168_100000059175 [0,1,0,0,0,1|1,1,0]=4 13673 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)Br 7a_100000709168_100000059175 [0,1,0,0,0,1|1,1,0]=4 13674 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000059175 [0,1,0,0,0,1|1,0,0]=3 13675 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000059175 [0,1,0,0,0,1|1,0,0]=3 13676 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)F 34a_100011217911_100000059175 [0,1,0,0,0,1|1,1,0]=4 13677 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)F 7a_100011217911_100000059175 [0,1,0,0,0,1|1,1,0]=4 13678 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)I 34a_100000718186_100000059175 [0,1,0,0,0,1|1,1,0]=4 13679 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)Cl)I 7a_100000718186_100000059175 [0,1,0,0,0,1|1,1,0]=4 13680 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)Br 34a_100011533735_100000059175 [0,1,0,0,0,1|1,1,0]=4 13681 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)Br 7a_100011533735_100000059175 [0,1,0,0,0,1|1,1,0]=4 13682 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)Cl 34a_100011218299_100000059175 [0,1,0,0,0,1|1,0,0]=3 13683 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)Cl 7a_100011218299_100000059175 [0,1,0,0,0,1|1,0,0]=3 13684 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)F 34a_100011215442_100000059175 [0,1,0,0,0,1|1,1,0]=4 13685 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)F 7a_100011215442_100000059175 [0,1,0,0,0,1|1,1,0]=4 13686 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)I 34a_100010149597_100000059175 [0,1,0,0,0,1|1,1,0]=4 13687 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)I 7a_100010149597_100000059175 [0,1,0,0,0,1|1,1,0]=4 13688 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)F)N 34a_100011217239_100000059175 [0,1,0,0,0,1|2,0,0]=4 13689 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)I)F 34a_100000049585_100000059175 [0,1,0,0,0,1|1,1,0]=4 13690 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)I)F 7a_100000049585_100000059175 [0,1,0,0,0,1|1,1,0]=4 13691 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)N)Br 34a_100012347568_100000059175 [0,1,0,0,0,1|1,1,0]=4 13692 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)N)Cl 34a_106256033963_100000059175 [0,1,0,0,0,1|1,0,0]=3 13693 B15R1.11630 C[C@@H](CO)COCc1ccc(c(c1)N)F 34a_102125399562_100000059175 [0,1,0,0,0,1|1,1,0]=4 13694 B15R1.11630 C[C@@H](CO)COCc1cnc(c(c1)Br)Cl 34a_100010201731_100000059175 [0,1,0,0,0,1|2,0,0]=4 13695 B15R1.11630 C[C@@H](CO)COCc1cnc(c(c1)Br)Cl 7a_100010201731_100000059175 [0,1,0,0,0,1|2,0,0]=4 13696 B15R1.11630 C[C@@H](CO)COCc1cnc(c(c1)Cl)Cl 34a_100000042784_100000059175 [0,1,0,0,0,1|2,0,0]=4 13697 B15R1.11630 C[C@@H](CO)COCc1cnc(c(c1)Cl)Cl 7a_100000042784_100000059175 [0,1,0,0,0,1|2,0,0]=4 13698 B15R1.11630 C[C@@H](CO)COCc1cnc(c(c1)I)Cl 34a_200015217190_100000059175 [0,1,0,0,0,1|2,0,0]=4 13699 B15R1.11630 C[C@@H](CO)COCc1cnc(c(c1)I)Cl 7a_200015217190_100000059175 [0,1,0,0,0,1|2,0,0]=4 13700 B15R1.11630 C[C@@H](CO)CSCc1ccc(c(c1)Br)Cl 62a_100000059175_100012353894 [0,1,0,0,0,1|1,1,0]=4 13701 B15R1.11630 C[C@@H](CO)CSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000059175 [0,1,0,0,0,1|1,1,0]=4 13702 B15R1.11630 C[C@@H](CO)CSCc1ccc(c(c1)Cl)Cl 62a_100000059175_100000184707 [0,1,0,0,0,1|1,1,0]=4 13703 B15R1.11630 C[C@@H](CO)CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000059175 [0,1,0,0,0,1|1,1,0]=4 13704 B15R1.11630 C[C@@H](CO)CSCc1ccc(c(c1)F)Cl 62a_100000059175_100000716492 [0,1,0,0,0,1|1,1,0]=4 13705 B15R1.11630 C[C@@H](CO)CSCc1ccc(c(c1)F)Cl 62a_100000716492_100000059175 [0,1,0,0,0,1|1,1,0]=4 13706 B15R1.11630 C[C@H](CO)NCCc1ccc(c(c1)Cl)Cl 2230a_100000737577_100011713676 [0,1,0,0,0,1|2,0,0]=4 13707 B15R1.11630 C[C@H](CO)SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100016084084 [0,1,0,0,0,1|2,0,0]=4 13708 B15R1.11630 C[C@H](CO)SCCc1ccc(c(c1)Cl)Cl 62a_100016084084_100011713676 [0,1,0,0,0,1|2,0,0]=4 13709 B15R1.11630 Cc1cc(ccc1Br)CNCC(O)CO 2230a_100015205234_100011219619 [0,1,0,0,0,1|1,1,0]=4 13710 B15R1.11630 Cc1cc(ccc1Br)CNCC(O)CO 34a_100015205234_100011219619 [0,1,0,0,0,1|1,1,0]=4 13711 B15R1.11630 Cc1cc(ccc1Br)CNC[C@@H](O)CO 2230a_100015205234_100009815848 [0,1,0,0,0,1|1,1,0]=4 13712 B15R1.11630 Cc1cc(ccc1Br)CNC[C@@H](O)CO 34a_100015205234_100009815848 [0,1,0,0,0,1|1,1,0]=4 13713 B15R1.11630 Cc1cc(ccc1Br)CNC[C@H](O)CO 207a_100020644852_100000765772 [0,1,0,0,0,1|1,1,0]=4 13714 B15R1.11630 Cc1cc(ccc1Br)CNC[C@H](O)CO 2230a_100020644852_100000727479 [0,1,0,0,0,1|1,1,0]=4 13715 B15R1.11630 Cc1cc(ccc1Br)COCC(O)CO 34a_100000718852_100011219619 [0,1,0,0,0,1|0,1,0]=3 13716 B15R1.11630 Cc1cc(ccc1Br)COCC(O)CO 7a_100000718852_100011219619 [0,1,0,0,0,1|0,1,0]=3 13717 B15R1.11630 Cc1cc(ccc1Br)COC[C@@H](C)CO 34a_100000718852_100000059175 [0,1,0,0,0,1|1,1,0]=4 13718 B15R1.11630 Cc1cc(ccc1Br)COC[C@@H](C)CO 7a_100000718852_100000059175 [0,1,0,0,0,1|1,1,0]=4 13719 B15R1.11630 Cc1cc(ccc1Br)COC[C@@H](O)CF 34a_100000718852_100015614560 [0,1,0,0,0,1|1,1,0]=4 13720 B15R1.11630 Cc1cc(ccc1Br)COC[C@@H](O)CF 7a_100000718852_100015614560 [0,1,0,0,0,1|1,1,0]=4 13721 B15R1.11630 Cc1cc(ccc1Br)COC[C@@H](O)CO 34a_100000718852_100009815848 [0,1,0,0,0,1|0,1,0]=3 13722 B15R1.11630 Cc1cc(ccc1Br)COC[C@@H](O)CO 7a_100000718852_100009815848 [0,1,0,0,0,1|0,1,0]=3 13723 B15R1.11630 Cc1cc(ccc1Br)CSCC(O)CO 62a_100000727479_100011219619 [0,1,0,0,0,1|0,2,0]=4 13724 B15R1.11630 Cc1cc(ccc1Br)CSCC(O)CO 62a_100011219619_100000727479 [0,1,0,0,0,1|0,2,0]=4 13725 B15R1.11630 Cc1cc(ccc1Br)CSC[C@@H](O)CO 62a_100000727479_100009815848 [0,1,0,0,0,1|0,2,0]=4 13726 B15R1.11630 Cc1cc(ccc1Br)CSC[C@@H](O)CO 62a_100009815848_100000727479 [0,1,0,0,0,1|0,2,0]=4 13727 B15R1.11630 Cc1cc(ccc1Cl)CNCC(C)CO 207a_100000744482_100000698814 [0,1,0,0,0,1|2,0,0]=4 13728 B15R1.11630 Cc1cc(ccc1Cl)CNCC(C)CO 34a_100000744482_100012184735 [0,1,0,0,0,1|2,0,0]=4 13729 B15R1.11630 Cc1cc(ccc1Cl)CNC[C@@H](F)CO 207a_100015665980_100000698814 [0,1,0,0,0,1|2,0,0]=4 13730 B15R1.11630 Cc1cc(ccc1Cl)CNC[C@@H](F)CO 270004a_100015665980_100000698814 [0,1,0,0,0,1|2,0,0]=4 13731 B15R1.11630 Cc1cc(ccc1Cl)CNC[C@@H](F)CO 34a_100015665980_100012184735 [0,1,0,0,0,1|2,0,0]=4 13732 B15R1.11630 Cc1cc(ccc1Cl)CNC[C@H](O)CO 207a_100020644852_100000698814 [0,1,0,0,0,1|1,0,0]=3 13733 B15R1.11630 Cc1cc(ccc1Cl)CNC[C@H](O)CO 2230a_100020644852_100012184735 [0,1,0,0,0,1|1,0,0]=3 13734 B15R1.11630 Cc1cc(ccc1Cl)COCC(C)CN 34a_100000744482_100012184735 [0,1,0,0,0,1|2,0,0]=4 13735 B15R1.11630 Cc1cc(ccc1Cl)COCC(Cl)CCl 34a_100000033668_100012184735 [0,1,0,0,0,1|2,0,0]=4 13736 B15R1.11630 Cc1cc(ccc1Cl)COC[C@H](F)CN 34a_100015665980_100012184735 [0,1,0,0,0,1|2,0,0]=4 13737 B15R1.11630 Cc1cc(ccc1Cl)CSCC(O)CO 62a_100011219619_100012184735 [0,1,0,0,0,1|0,1,0]=3 13738 B15R1.11630 Cc1cc(ccc1Cl)CSCC(O)CO 62a_100012184735_100011219619 [0,1,0,0,0,1|0,1,0]=3 13739 B15R1.11630 Cc1cc(ccc1Cl)CSC[C@@H](C)CO 62a_100000059175_100012184735 [0,1,0,0,0,1|1,1,0]=4 13740 B15R1.11630 Cc1cc(ccc1Cl)CSC[C@@H](C)CO 62a_100012184735_100000059175 [0,1,0,0,0,1|1,1,0]=4 13741 B15R1.11630 Cc1cc(ccc1Cl)CSC[C@@H](O)CF 62a_100012184735_100015614560 [0,1,0,0,0,1|1,1,0]=4 13742 B15R1.11630 Cc1cc(ccc1Cl)CSC[C@@H](O)CF 62a_100015614560_100012184735 [0,1,0,0,0,1|1,1,0]=4 13743 B15R1.11630 Cc1cc(ccc1Cl)CSC[C@@H](O)CO 62a_100009815848_100012184735 [0,1,0,0,0,1|0,1,0]=3 13744 B15R1.11630 Cc1cc(ccc1Cl)CSC[C@@H](O)CO 62a_100012184735_100009815848 [0,1,0,0,0,1|0,1,0]=3 13745 B15R1.11630 Cc1cc(ccc1Cl)NN=CC(O)CO 4a_100015233126_100000033539 [0,1,0,0,0,1|1,0,1]=4 13746 B15R1.11630 Cc1cc(ccc1F)CNCC(O)CO 2230a_100000239911_100011219619 [0,1,0,0,0,1|1,1,0]=4 13747 B15R1.11630 Cc1cc(ccc1F)CNCC(O)CO 34a_100000239911_100011219619 [0,1,0,0,0,1|1,1,0]=4 13748 B15R1.11630 Cc1cc(ccc1F)CNC[C@@H](O)CO 2230a_100000239911_100009815848 [0,1,0,0,0,1|1,1,0]=4 13749 B15R1.11630 Cc1cc(ccc1F)CNC[C@@H](O)CO 34a_100000239911_100009815848 [0,1,0,0,0,1|1,1,0]=4 13750 B15R1.11630 Cc1cc(ccc1F)CNC[C@H](O)CO 207a_100020644852_100000748208 [0,1,0,0,0,1|1,1,0]=4 13751 B15R1.11630 Cc1cc(ccc1F)CNC[C@H](O)CO 2230a_100020644852_100011216667 [0,1,0,0,0,1|1,1,0]=4 13752 B15R1.11630 Cc1cc(ccc1F)COCC(O)CO 34a_100011219793_100011219619 [0,1,0,0,0,1|0,1,0]=3 13753 B15R1.11630 Cc1cc(ccc1F)COCC(O)CO 7a_100011219793_100011219619 [0,1,0,0,0,1|0,1,0]=3 13754 B15R1.11630 Cc1cc(ccc1F)COC[C@@H](C)CO 34a_100011219793_100000059175 [0,1,0,0,0,1|1,1,0]=4 13755 B15R1.11630 Cc1cc(ccc1F)COC[C@@H](C)CO 7a_100011219793_100000059175 [0,1,0,0,0,1|1,1,0]=4 13756 B15R1.11630 Cc1cc(ccc1F)COC[C@@H](O)CF 34a_100011219793_100015614560 [0,1,0,0,0,1|1,1,0]=4 13757 B15R1.11630 Cc1cc(ccc1F)COC[C@@H](O)CF 7a_100011219793_100015614560 [0,1,0,0,0,1|1,1,0]=4 13758 B15R1.11630 Cc1cc(ccc1F)COC[C@@H](O)CO 34a_100011219793_100009815848 [0,1,0,0,0,1|0,1,0]=3 13759 B15R1.11630 Cc1cc(ccc1F)COC[C@@H](O)CO 7a_100011219793_100009815848 [0,1,0,0,0,1|0,1,0]=3 13760 B15R1.11630 Cc1cc(ccc1F)CSCC(O)CO 62a_100011216667_100011219619 [0,1,0,0,0,1|0,2,0]=4 13761 B15R1.11630 Cc1cc(ccc1F)CSCC(O)CO 62a_100011219619_100011216667 [0,1,0,0,0,1|0,2,0]=4 13762 B15R1.11630 Cc1cc(ccc1F)CSC[C@@H](O)CO 62a_100009815848_100011216667 [0,1,0,0,0,1|0,2,0]=4 13763 B15R1.11630 Cc1cc(ccc1F)CSC[C@@H](O)CO 62a_100011216667_100009815848 [0,1,0,0,0,1|0,2,0]=4 13764 B15R1.11630 Cc1cc(ccc1N)COCC(O)CO 34a_200011997030_100011219619 [0,1,0,0,0,1|1,0,0]=3 13765 B15R1.11630 Cc1cc(ccc1N)COC[C@@H](C)CO 34a_200011997030_100000059175 [0,1,0,0,0,1|2,0,0]=4 13766 B15R1.11630 Cc1cc(ccc1N)COC[C@@H](O)CF 34a_200011997030_100015614560 [0,1,0,0,0,1|2,0,0]=4 13767 B15R1.11630 Cc1cc(ccc1N)COC[C@@H](O)CO 34a_200011997030_100009815848 [0,1,0,0,0,1|1,0,0]=3 13768 B15R1.11630 Cc1cc(cnc1Cl)CNC[C@H](O)CO 207a_100020644852_100000070293 [0,1,0,0,0,1|2,0,0]=4 13769 B15R1.11630 Cc1cc(cnc1Cl)COCC(O)CO 34a_200000092119_100011219619 [0,1,0,0,0,1|1,0,0]=3 13770 B15R1.11630 Cc1cc(cnc1Cl)COCC(O)CO 7a_200000092119_100011219619 [0,1,0,0,0,1|1,0,0]=3 13771 B15R1.11630 Cc1cc(cnc1Cl)COC[C@@H](C)CO 34a_200000092119_100000059175 [0,1,0,0,0,1|2,0,0]=4 13772 B15R1.11630 Cc1cc(cnc1Cl)COC[C@@H](C)CO 7a_200000092119_100000059175 [0,1,0,0,0,1|2,0,0]=4 13773 B15R1.11630 Cc1cc(cnc1Cl)COC[C@@H](O)CF 34a_200000092119_100015614560 [0,1,0,0,0,1|2,0,0]=4 13774 B15R1.11630 Cc1cc(cnc1Cl)COC[C@@H](O)CF 7a_200000092119_100015614560 [0,1,0,0,0,1|2,0,0]=4 13775 B15R1.11630 Cc1cc(cnc1Cl)COC[C@@H](O)CO 34a_200000092119_100009815848 [0,1,0,0,0,1|1,0,0]=3 13776 B15R1.11630 Cc1cc(cnc1Cl)COC[C@@H](O)CO 7a_200000092119_100009815848 [0,1,0,0,0,1|1,0,0]=3 13777 B15R1.11630 Cc1cc(ncc1Br)COCC(O)CO 34a_200010713146_100011219619 [0,1,0,0,0,1|1,1,0]=4 13778 B15R1.11630 Cc1cc(ncc1Br)COC[C@@H](O)CO 34a_200010713146_100009815848 [0,1,0,0,0,1|1,1,0]=4 13779 B15R1.11630 Cc1ccc(cc1Br)CNC[C@H](O)CO 207a_100020644852_100000695567 [0,1,0,0,0,1|2,0,0]=4 13780 B15R1.11630 Cc1ccc(cc1Br)CNC[C@H](O)CO 2230a_100020644852_100012232412 [0,1,0,0,0,1|2,0,0]=4 13781 B15R1.11630 Cc1ccc(cc1Br)COCC(O)CO 34a_100000708995_100011219619 [0,1,0,0,0,1|1,0,0]=3 13782 B15R1.11630 Cc1ccc(cc1Br)COCC(O)CO 7a_100000708995_100011219619 [0,1,0,0,0,1|1,0,0]=3 13783 B15R1.11630 Cc1ccc(cc1Br)COC[C@@H](C)CO 34a_100000708995_100000059175 [0,1,0,0,0,1|2,0,0]=4 13784 B15R1.11630 Cc1ccc(cc1Br)COC[C@@H](C)CO 7a_100000708995_100000059175 [0,1,0,0,0,1|2,0,0]=4 13785 B15R1.11630 Cc1ccc(cc1Br)COC[C@@H](O)CF 34a_100000708995_100015614560 [0,1,0,0,0,1|2,0,0]=4 13786 B15R1.11630 Cc1ccc(cc1Br)COC[C@@H](O)CF 7a_100000708995_100015614560 [0,1,0,0,0,1|2,0,0]=4 13787 B15R1.11630 Cc1ccc(cc1Br)COC[C@@H](O)CO 34a_100000708995_100009815848 [0,1,0,0,0,1|1,0,0]=3 13788 B15R1.11630 Cc1ccc(cc1Br)COC[C@@H](O)CO 7a_100000708995_100009815848 [0,1,0,0,0,1|1,0,0]=3 13789 B15R1.11630 Cc1ccc(cc1Br)CSCC(O)CO 62a_100011219619_100012232412 [0,1,0,0,0,1|1,1,0]=4 13790 B15R1.11630 Cc1ccc(cc1Br)CSCC(O)CO 62a_100012232412_100011219619 [0,1,0,0,0,1|1,1,0]=4 13791 B15R1.11630 Cc1ccc(cc1Br)CSC[C@@H](O)CO 62a_100009815848_100012232412 [0,1,0,0,0,1|1,1,0]=4 13792 B15R1.11630 Cc1ccc(cc1Br)CSC[C@@H](O)CO 62a_100012232412_100009815848 [0,1,0,0,0,1|1,1,0]=4 13793 B15R1.11630 Cc1ccc(cc1C)CNCC(O)CO 2230a_100025706692_100011219619 [0,1,0,0,0,1|2,0,0]=4 13794 B15R1.11630 Cc1ccc(cc1C)CNCC(O)CO 34a_100025706692_100011219619 [0,1,0,0,0,1|2,0,0]=4 13795 B15R1.11630 Cc1ccc(cc1C)CNC[C@@H](O)CO 2230a_100025706692_100009815848 [0,1,0,0,0,1|2,0,0]=4 13796 B15R1.11630 Cc1ccc(cc1C)CNC[C@@H](O)CO 34a_100025706692_100009815848 [0,1,0,0,0,1|2,0,0]=4 13797 B15R1.11630 Cc1ccc(cc1C)CNC[C@H](O)CO 207a_100020644852_100000229942 [0,1,0,0,0,1|2,0,0]=4 13798 B15R1.11630 Cc1ccc(cc1C)CNC[C@H](O)CO 2230a_100020644852_100000742320 [0,1,0,0,0,1|2,0,0]=4 13799 B15R1.11630 Cc1ccc(cc1C)COCC(O)CO 34a_100011215342_100011219619 [0,1,0,0,0,1|1,0,0]=3 13800 B15R1.11630 Cc1ccc(cc1C)COCC(O)CO 7a_100011215342_100011219619 [0,1,0,0,0,1|1,0,0]=3 13801 B15R1.11630 Cc1ccc(cc1C)COC[C@@H](C)CO 34a_100011215342_100000059175 [0,1,0,0,0,1|2,0,0]=4 13802 B15R1.11630 Cc1ccc(cc1C)COC[C@@H](C)CO 7a_100011215342_100000059175 [0,1,0,0,0,1|2,0,0]=4 13803 B15R1.11630 Cc1ccc(cc1C)COC[C@@H](O)CF 34a_100011215342_100015614560 [0,1,0,0,0,1|2,0,0]=4 13804 B15R1.11630 Cc1ccc(cc1C)COC[C@@H](O)CF 7a_100011215342_100015614560 [0,1,0,0,0,1|2,0,0]=4 13805 B15R1.11630 Cc1ccc(cc1C)COC[C@@H](O)CO 34a_100011215342_100009815848 [0,1,0,0,0,1|1,0,0]=3 13806 B15R1.11630 Cc1ccc(cc1C)COC[C@@H](O)CO 7a_100011215342_100009815848 [0,1,0,0,0,1|1,0,0]=3 13807 B15R1.11630 Cc1ccc(cc1C)CSCC(O)CO 62a_100000742320_100011219619 [0,1,0,0,0,1|1,1,0]=4 13808 B15R1.11630 Cc1ccc(cc1C)CSCC(O)CO 62a_100011219619_100000742320 [0,1,0,0,0,1|1,1,0]=4 13809 B15R1.11630 Cc1ccc(cc1C)CSC[C@@H](O)CO 62a_100000742320_100009815848 [0,1,0,0,0,1|1,1,0]=4 13810 B15R1.11630 Cc1ccc(cc1C)CSC[C@@H](O)CO 62a_100009815848_100000742320 [0,1,0,0,0,1|1,1,0]=4 13811 B15R1.11630 Cc1ccc(cc1Cl)CNCC(O)CO 2230a_102495364989_100011219619 [0,1,0,0,0,1|2,0,0]=4 13812 B15R1.11630 Cc1ccc(cc1Cl)CNCC(O)CO 34a_102495364989_100011219619 [0,1,0,0,0,1|2,0,0]=4 13813 B15R1.11630 Cc1ccc(cc1Cl)CNC[C@@H](O)CO 2230a_102495364989_100009815848 [0,1,0,0,0,1|2,0,0]=4 13814 B15R1.11630 Cc1ccc(cc1Cl)CNC[C@@H](O)CO 34a_102495364989_100009815848 [0,1,0,0,0,1|2,0,0]=4 13815 B15R1.11630 Cc1ccc(cc1Cl)CNC[C@H](O)CO 207a_100020644852_100000760539 [0,1,0,0,0,1|2,0,0]=4 13816 B15R1.11630 Cc1ccc(cc1Cl)CNC[C@H](O)CO 2230a_100020644852_100011823929 [0,1,0,0,0,1|2,0,0]=4 13817 B15R1.11630 Cc1ccc(cc1Cl)COCC(O)CO 34a_100011290783_100011219619 [0,1,0,0,0,1|1,0,0]=3 13818 B15R1.11630 Cc1ccc(cc1Cl)COCC(O)CO 7a_100011290783_100011219619 [0,1,0,0,0,1|1,0,0]=3 13819 B15R1.11630 Cc1ccc(cc1Cl)COC[C@@H](C)CO 34a_100011290783_100000059175 [0,1,0,0,0,1|2,0,0]=4 13820 B15R1.11630 Cc1ccc(cc1Cl)COC[C@@H](C)CO 7a_100011290783_100000059175 [0,1,0,0,0,1|2,0,0]=4 13821 B15R1.11630 Cc1ccc(cc1Cl)COC[C@@H](O)CF 34a_100011290783_100015614560 [0,1,0,0,0,1|2,0,0]=4 13822 B15R1.11630 Cc1ccc(cc1Cl)COC[C@@H](O)CF 7a_100011290783_100015614560 [0,1,0,0,0,1|2,0,0]=4 13823 B15R1.11630 Cc1ccc(cc1Cl)COC[C@@H](O)CO 34a_100011290783_100009815848 [0,1,0,0,0,1|1,0,0]=3 13824 B15R1.11630 Cc1ccc(cc1Cl)COC[C@@H](O)CO 7a_100011290783_100009815848 [0,1,0,0,0,1|1,0,0]=3 13825 B15R1.11630 Cc1ccc(cc1Cl)CSCC(O)CO 62a_100011219619_100011823929 [0,1,0,0,0,1|1,1,0]=4 13826 B15R1.11630 Cc1ccc(cc1Cl)CSCC(O)CO 62a_100011823929_100011219619 [0,1,0,0,0,1|1,1,0]=4 13827 B15R1.11630 Cc1ccc(cc1Cl)CSC[C@@H](O)CO 62a_100009815848_100011823929 [0,1,0,0,0,1|1,1,0]=4 13828 B15R1.11630 Cc1ccc(cc1Cl)CSC[C@@H](O)CO 62a_100011823929_100009815848 [0,1,0,0,0,1|1,1,0]=4 13829 B15R1.11630 Cc1ccc(cc1F)CNCC(O)CO 2230a_100102708794_100011219619 [0,1,0,0,0,1|2,0,0]=4 13830 B15R1.11630 Cc1ccc(cc1F)CNCC(O)CO 34a_100102708794_100011219619 [0,1,0,0,0,1|2,0,0]=4 13831 B15R1.11630 Cc1ccc(cc1F)CNC[C@@H](O)CO 2230a_100102708794_100009815848 [0,1,0,0,0,1|2,0,0]=4 13832 B15R1.11630 Cc1ccc(cc1F)CNC[C@@H](O)CO 34a_100102708794_100009815848 [0,1,0,0,0,1|2,0,0]=4 13833 B15R1.11630 Cc1ccc(cc1F)CNC[C@H](O)CO 207a_100020644852_100000753222 [0,1,0,0,0,1|2,0,0]=4 13834 B15R1.11630 Cc1ccc(cc1F)CNC[C@H](O)CO 2230a_100020644852_100011217369 [0,1,0,0,0,1|2,0,0]=4 13835 B15R1.11630 Cc1ccc(cc1F)COCC(O)CO 34a_100000702247_100011219619 [0,1,0,0,0,1|1,0,0]=3 13836 B15R1.11630 Cc1ccc(cc1F)COCC(O)CO 7a_100000702247_100011219619 [0,1,0,0,0,1|1,0,0]=3 13837 B15R1.11630 Cc1ccc(cc1F)COC[C@@H](C)CO 34a_100000702247_100000059175 [0,1,0,0,0,1|2,0,0]=4 13838 B15R1.11630 Cc1ccc(cc1F)COC[C@@H](C)CO 7a_100000702247_100000059175 [0,1,0,0,0,1|2,0,0]=4 13839 B15R1.11630 Cc1ccc(cc1F)COC[C@@H](O)CF 34a_100000702247_100015614560 [0,1,0,0,0,1|2,0,0]=4 13840 B15R1.11630 Cc1ccc(cc1F)COC[C@@H](O)CF 7a_100000702247_100015614560 [0,1,0,0,0,1|2,0,0]=4 13841 B15R1.11630 Cc1ccc(cc1F)COC[C@@H](O)CO 34a_100000702247_100009815848 [0,1,0,0,0,1|1,0,0]=3 13842 B15R1.11630 Cc1ccc(cc1F)COC[C@@H](O)CO 7a_100000702247_100009815848 [0,1,0,0,0,1|1,0,0]=3 13843 B15R1.11630 Cc1ccc(cc1F)CSCC(O)CO 62a_100011217369_100011219619 [0,1,0,0,0,1|1,1,0]=4 13844 B15R1.11630 Cc1ccc(cc1F)CSCC(O)CO 62a_100011219619_100011217369 [0,1,0,0,0,1|1,1,0]=4 13845 B15R1.11630 Cc1ccc(cc1F)CSC[C@@H](O)CO 62a_100009815848_100011217369 [0,1,0,0,0,1|1,1,0]=4 13846 B15R1.11630 Cc1ccc(cc1F)CSC[C@@H](O)CO 62a_100011217369_100009815848 [0,1,0,0,0,1|1,1,0]=4 13847 B15R1.11630 Cc1ccc(cc1I)CNC[C@H](O)CO 207a_100020644852_100010197721 [0,1,0,0,0,1|2,0,0]=4 13848 B15R1.11630 Cc1ccc(cc1I)CNC[C@H](O)CO 2230a_100020644852_100010206137 [0,1,0,0,0,1|2,0,0]=4 13849 B15R1.11630 Cc1ccc(cc1I)COCC(O)CO 34a_100000050133_100011219619 [0,1,0,0,0,1|1,0,0]=3 13850 B15R1.11630 Cc1ccc(cc1I)COCC(O)CO 7a_100000050133_100011219619 [0,1,0,0,0,1|1,0,0]=3 13851 B15R1.11630 Cc1ccc(cc1I)COC[C@@H](C)CO 34a_100000050133_100000059175 [0,1,0,0,0,1|2,0,0]=4 13852 B15R1.11630 Cc1ccc(cc1I)COC[C@@H](C)CO 7a_100000050133_100000059175 [0,1,0,0,0,1|2,0,0]=4 13853 B15R1.11630 Cc1ccc(cc1I)COC[C@@H](O)CF 34a_100000050133_100015614560 [0,1,0,0,0,1|2,0,0]=4 13854 B15R1.11630 Cc1ccc(cc1I)COC[C@@H](O)CF 7a_100000050133_100015614560 [0,1,0,0,0,1|2,0,0]=4 13855 B15R1.11630 Cc1ccc(cc1I)COC[C@@H](O)CO 34a_100000050133_100009815848 [0,1,0,0,0,1|1,0,0]=3 13856 B15R1.11630 Cc1ccc(cc1I)COC[C@@H](O)CO 7a_100000050133_100009815848 [0,1,0,0,0,1|1,0,0]=3 13857 B15R1.11630 Cc1ccc(cc1I)CSCC(O)CO 62a_100010206137_100011219619 [0,1,0,0,0,1|1,1,0]=4 13858 B15R1.11630 Cc1ccc(cc1I)CSCC(O)CO 62a_100011219619_100010206137 [0,1,0,0,0,1|1,1,0]=4 13859 B15R1.11630 Cc1ccc(cc1I)CSC[C@@H](O)CO 62a_100009815848_100010206137 [0,1,0,0,0,1|1,1,0]=4 13860 B15R1.11630 Cc1ccc(cc1I)CSC[C@@H](O)CO 62a_100010206137_100009815848 [0,1,0,0,0,1|1,1,0]=4 13861 B15R1.11630 Cc1ccc(cc1N)COCC(O)CO 34a_100000758420_100011219619 [0,1,0,0,0,1|1,0,0]=3 13862 B15R1.11630 Cc1ccc(cc1N)COC[C@@H](C)CO 34a_100000758420_100000059175 [0,1,0,0,0,1|2,0,0]=4 13863 B15R1.11630 Cc1ccc(cc1N)COC[C@@H](O)CF 34a_100000758420_100015614560 [0,1,0,0,0,1|2,0,0]=4 13864 B15R1.11630 Cc1ccc(cc1N)COC[C@@H](O)CO 34a_100000758420_100009815848 [0,1,0,0,0,1|1,0,0]=3 13865 B15R1.11630 Cc1cnc(cc1Br)COCC(O)CO 34a_100010113723_100011219619 [0,1,0,0,0,1|2,0,0]=4 13866 B15R1.11630 Cc1cnc(cc1Br)COCC(O)CO 7a_100010113723_100011219619 [0,1,0,0,0,1|2,0,0]=4 13867 B15R1.11630 Cc1cnc(cc1Br)COC[C@@H](O)CO 34a_100010113723_100009815848 [0,1,0,0,0,1|2,0,0]=4 13868 B15R1.11630 Cc1cnc(cc1Br)COC[C@@H](O)CO 7a_100010113723_100009815848 [0,1,0,0,0,1|2,0,0]=4 13869 B15R1.11630 Cc1cnc(cc1Cl)COCC(O)CO 34a_200000144627_100011219619 [0,1,0,0,0,1|2,0,0]=4 13870 B15R1.11630 Cc1cnc(cc1Cl)COCC(O)CO 7a_200000144627_100011219619 [0,1,0,0,0,1|2,0,0]=4 13871 B15R1.11630 Cc1cnc(cc1Cl)COC[C@@H](O)CO 34a_200000144627_100009815848 [0,1,0,0,0,1|2,0,0]=4 13872 B15R1.11630 Cc1cnc(cc1Cl)COC[C@@H](O)CO 7a_200000144627_100009815848 [0,1,0,0,0,1|2,0,0]=4 13873 B15R1.11630 Cc1nc(ccc1Br)COCC(O)CO 34a_100010114280_100011219619 [0,1,0,0,0,1|1,1,0]=4 13874 B15R1.11630 Cc1nc(ccc1Br)COC[C@@H](O)CO 34a_100010114280_100009815848 [0,1,0,0,0,1|1,1,0]=4 13875 B15R1.11630 Cc1nc(ccc1F)COCC(O)CO 34a_200009884719_100011219619 [0,1,0,0,0,1|1,1,0]=4 13876 B15R1.11630 Cc1nc(ccc1F)COC[C@@H](O)CO 34a_200009884719_100009815848 [0,1,0,0,0,1|1,1,0]=4 13877 B15R1.11630 Cc1ncc(cc1F)COCC(O)CO 34a_100009839834_100011219619 [0,1,0,0,0,1|2,0,0]=4 13878 B15R1.11630 Cc1ncc(cc1F)COCC(O)CO 7a_100009839834_100011219619 [0,1,0,0,0,1|2,0,0]=4 13879 B15R1.11630 Cc1ncc(cc1F)COC[C@@H](O)CO 34a_100009839834_100009815848 [0,1,0,0,0,1|2,0,0]=4 13880 B15R1.11630 Cc1ncc(cc1F)COC[C@@H](O)CO 7a_100009839834_100009815848 [0,1,0,0,0,1|2,0,0]=4 13881 B15R1.11630 ClCC(Cl)COCc1ccc(c(c1)Br)Cl 34a_100000033668_100012353894 [0,1,0,0,0,1|2,0,0]=4 13882 B15R1.11630 ClCC(Cl)COCc1ccc(c(c1)Cl)Cl 34a_100000033668_100000184707 [0,1,0,0,0,1|2,0,0]=4 13883 B15R1.11630 Fc1cc(ccc1Cl)COCC(Cl)CCl 34a_100000033668_100011519011 [0,1,0,0,0,1|2,0,0]=4 13884 B15R1.11630 NC[C@@H](F)COCc1ccc(c(c1)Br)Cl 34a_100015665980_100012353894 [0,1,0,0,0,1|2,0,0]=4 13885 B15R1.11630 NC[C@@H](F)COCc1ccc(c(c1)Cl)Cl 34a_100015665980_100000184707 [0,1,0,0,0,1|2,0,0]=4 13886 B15R1.11630 NC[C@@H](F)COCc1ccc(c(c1)F)Cl 34a_100015665980_100011519011 [0,1,0,0,0,1|2,0,0]=4 13887 B15R1.11630 Nc1cc(ccc1Br)COCC(O)CO 34a_100012347568_100011219619 [0,1,0,0,0,1|0,1,0]=3 13888 B15R1.11630 Nc1cc(ccc1Br)COC[C@@H](O)CF 34a_100012347568_100015614560 [0,1,0,0,0,1|1,1,0]=4 13889 B15R1.11630 Nc1cc(ccc1Br)COC[C@@H](O)CO 34a_100012347568_100009815848 [0,1,0,0,0,1|0,1,0]=3 13890 B15R1.11630 Nc1cc(ccc1Cl)COCC(O)CO 34a_106256033963_100011219619 [0,1,0,0,0,1|0,0,0]=2 13891 B15R1.11630 Nc1cc(ccc1Cl)COC[C@@H](O)CF 34a_106256033963_100015614560 [0,1,0,0,0,1|1,0,0]=3 13892 B15R1.11630 Nc1cc(ccc1Cl)COC[C@@H](O)CO 34a_106256033963_100009815848 [0,1,0,0,0,1|0,0,0]=2 13893 B15R1.11630 Nc1cc(ccc1F)COCC(O)CO 34a_102125399562_100011219619 [0,1,0,0,0,1|0,1,0]=3 13894 B15R1.11630 Nc1cc(ccc1F)COC[C@@H](O)CF 34a_102125399562_100015614560 [0,1,0,0,0,1|1,1,0]=4 13895 B15R1.11630 Nc1cc(ccc1F)COC[C@@H](O)CO 34a_102125399562_100009815848 [0,1,0,0,0,1|0,1,0]=3 13896 B15R1.11630 Nc1ccc(cc1F)COCC(O)CO 34a_100011217239_100011219619 [0,1,0,0,0,1|1,0,0]=3 13897 B15R1.11630 Nc1ccc(cc1F)COC[C@@H](O)CF 34a_100011217239_100015614560 [0,1,0,0,0,1|2,0,0]=4 13898 B15R1.11630 Nc1ccc(cc1F)COC[C@@H](O)CO 34a_100011217239_100009815848 [0,1,0,0,0,1|1,0,0]=3 13899 B15R1.11630 Nc1ncc(cc1Br)COCC(O)CO 34a_100012343677_100011219619 [0,1,0,0,0,1|2,0,0]=4 13900 B15R1.11630 Nc1ncc(cc1Br)COCC(O)CO 7a_100012343677_100011219619 [0,1,0,0,0,1|2,0,0]=4 13901 B15R1.11630 Nc1ncc(cc1Br)COC[C@@H](O)CO 34a_100012343677_100009815848 [0,1,0,0,0,1|2,0,0]=4 13902 B15R1.11630 Nc1ncc(cc1Br)COC[C@@H](O)CO 7a_100012343677_100009815848 [0,1,0,0,0,1|2,0,0]=4 13903 B15R1.11630 OCC(O)C=NNc1ccc(c(c1)Cl)Cl 4a_100000106602_100000033539 [0,1,0,0,0,1|1,0,1]=4 13904 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Br)Br 2230a_100012351559_100011219619 [0,1,0,0,0,1|1,1,0]=4 13905 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Br)Br 34a_100012351559_100011219619 [0,1,0,0,0,1|1,1,0]=4 13906 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100011219619 [0,1,0,0,0,1|1,0,0]=3 13907 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Br)Cl 34a_100012349490_100011219619 [0,1,0,0,0,1|1,0,0]=3 13908 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Br)F 2230a_100015193890_100011219619 [0,1,0,0,0,1|1,1,0]=4 13909 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Br)F 34a_100015193890_100011219619 [0,1,0,0,0,1|1,1,0]=4 13910 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100011219619 [0,1,0,0,0,1|1,1,0]=4 13911 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Cl)Br 34a_100012362553_100011219619 [0,1,0,0,0,1|1,1,0]=4 13912 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100011219619 [0,1,0,0,0,1|1,0,0]=3 13913 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100011219619 [0,1,0,0,0,1|1,0,0]=3 13914 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Cl)F 2230a_100000749334_100011219619 [0,1,0,0,0,1|1,1,0]=4 13915 B15R1.11630 OCC(O)CNCc1ccc(c(c1)Cl)F 34a_100000749334_100011219619 [0,1,0,0,0,1|1,1,0]=4 13916 B15R1.11630 OCC(O)CNCc1ccc(c(c1)F)Br 2230a_100000755036_100011219619 [0,1,0,0,0,1|1,1,0]=4 13917 B15R1.11630 OCC(O)CNCc1ccc(c(c1)F)Br 34a_100000755036_100011219619 [0,1,0,0,0,1|1,1,0]=4 13918 B15R1.11630 OCC(O)CNCc1ccc(c(c1)F)Cl 2230a_100011219866_100011219619 [0,1,0,0,0,1|1,0,0]=3 13919 B15R1.11630 OCC(O)CNCc1ccc(c(c1)F)Cl 34a_100011219866_100011219619 [0,1,0,0,0,1|1,0,0]=3 13920 B15R1.11630 OCC(O)CNCc1ccc(c(c1)F)F 2230a_100000737897_100011219619 [0,1,0,0,0,1|1,1,0]=4 13921 B15R1.11630 OCC(O)CNCc1ccc(c(c1)F)F 34a_100000737897_100011219619 [0,1,0,0,0,1|1,1,0]=4 13922 B15R1.11630 OCC(O)CNCc1ccc(c(c1)F)O 34a_100000758358_100011219619 [0,1,0,0,0,1|2,0,0]=4 13923 B15R1.11630 OCC(O)CNCc1ccc(c(c1)O)Cl 34a_100020636435_100011219619 [0,1,0,0,0,1|1,0,0]=3 13924 B15R1.11630 OCC(O)CNCc1ccc(c(c1)O)F 34a_100160469508_100011219619 [0,1,0,0,0,1|1,1,0]=4 13925 B15R1.11630 OCC(O)CNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100011219619 [0,1,0,0,0,1|2,0,0]=4 13926 B15R1.11630 OCC(O)CNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100011219619 [0,1,0,0,0,1|2,0,0]=4 13927 B15R1.11630 OCC(O)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100011219619 [0,1,0,0,0,1|0,0,0]=2 13928 B15R1.11630 OCC(O)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100011219619 [0,1,0,0,0,1|0,0,0]=2 13929 B15R1.11630 OCC(O)COCc1ccc(c(c1)Br)F 34a_100000246287_100011219619 [0,1,0,0,0,1|0,1,0]=3 13930 B15R1.11630 OCC(O)COCc1ccc(c(c1)Br)F 7a_100000246287_100011219619 [0,1,0,0,0,1|0,1,0]=3 13931 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)Br 34a_100000709168_100011219619 [0,1,0,0,0,1|0,1,0]=3 13932 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)Br 7a_100000709168_100011219619 [0,1,0,0,0,1|0,1,0]=3 13933 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100011219619 [0,1,0,0,0,1|0,0,0]=2 13934 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100011219619 [0,1,0,0,0,1|0,0,0]=2 13935 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)F 34a_100011217911_100011219619 [0,1,0,0,0,1|0,1,0]=3 13936 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)F 7a_100011217911_100011219619 [0,1,0,0,0,1|0,1,0]=3 13937 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)I 34a_100000718186_100011219619 [0,1,0,0,0,1|0,1,0]=3 13938 B15R1.11630 OCC(O)COCc1ccc(c(c1)Cl)I 7a_100000718186_100011219619 [0,1,0,0,0,1|0,1,0]=3 13939 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)Br 34a_100011533735_100011219619 [0,1,0,0,0,1|0,1,0]=3 13940 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)Br 7a_100011533735_100011219619 [0,1,0,0,0,1|0,1,0]=3 13941 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)Cl 34a_100011218299_100011219619 [0,1,0,0,0,1|0,0,0]=2 13942 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)Cl 7a_100011218299_100011219619 [0,1,0,0,0,1|0,0,0]=2 13943 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)F 34a_100011215442_100011219619 [0,1,0,0,0,1|0,1,0]=3 13944 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)F 7a_100011215442_100011219619 [0,1,0,0,0,1|0,1,0]=3 13945 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)I 34a_100010149597_100011219619 [0,1,0,0,0,1|0,1,0]=3 13946 B15R1.11630 OCC(O)COCc1ccc(c(c1)F)I 7a_100010149597_100011219619 [0,1,0,0,0,1|0,1,0]=3 13947 B15R1.11630 OCC(O)COCc1ccc(c(c1)I)F 34a_100000049585_100011219619 [0,1,0,0,0,1|0,1,0]=3 13948 B15R1.11630 OCC(O)COCc1ccc(c(c1)I)F 7a_100000049585_100011219619 [0,1,0,0,0,1|0,1,0]=3 13949 B15R1.11630 OCC(O)COCc1ccc(c(n1)Cl)Br 34a_100010065236_100011219619 [0,1,0,0,0,1|1,1,0]=4 13950 B15R1.11630 OCC(O)COCc1cnc(c(c1)Br)Cl 34a_100010201731_100011219619 [0,1,0,0,0,1|1,0,0]=3 13951 B15R1.11630 OCC(O)COCc1cnc(c(c1)Br)Cl 7a_100010201731_100011219619 [0,1,0,0,0,1|1,0,0]=3 13952 B15R1.11630 OCC(O)COCc1cnc(c(c1)Cl)Cl 34a_100000042784_100011219619 [0,1,0,0,0,1|1,0,0]=3 13953 B15R1.11630 OCC(O)COCc1cnc(c(c1)Cl)Cl 7a_100000042784_100011219619 [0,1,0,0,0,1|1,0,0]=3 13954 B15R1.11630 OCC(O)COCc1cnc(c(c1)F)Br 34a_100010065243_100011219619 [0,1,0,0,0,1|1,1,0]=4 13955 B15R1.11630 OCC(O)COCc1cnc(c(c1)F)Br 7a_100010065243_100011219619 [0,1,0,0,0,1|1,1,0]=4 13956 B15R1.11630 OCC(O)COCc1cnc(c(c1)I)Cl 34a_200015217190_100011219619 [0,1,0,0,0,1|1,0,0]=3 13957 B15R1.11630 OCC(O)COCc1cnc(c(c1)I)Cl 7a_200015217190_100011219619 [0,1,0,0,0,1|1,0,0]=3 13958 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Br)Br 62a_100011219619_100012353900 [0,1,0,0,0,1|0,2,0]=4 13959 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Br)Br 62a_100012353900_100011219619 [0,1,0,0,0,1|0,2,0]=4 13960 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Br)Cl 62a_100011219619_100012353894 [0,1,0,0,0,1|0,1,0]=3 13961 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Br)Cl 62a_100012353894_100011219619 [0,1,0,0,0,1|0,1,0]=3 13962 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Br)F 62a_100011206884_100011219619 [0,1,0,0,0,1|0,2,0]=4 13963 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Br)F 62a_100011219619_100011206884 [0,1,0,0,0,1|0,2,0]=4 13964 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)Br 62a_100011219619_100012353895 [0,1,0,0,0,1|0,2,0]=4 13965 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)Br 62a_100012353895_100011219619 [0,1,0,0,0,1|0,2,0]=4 13966 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100011219619 [0,1,0,0,0,1|0,1,0]=3 13967 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)Cl 62a_100011219619_100000184707 [0,1,0,0,0,1|0,1,0]=3 13968 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)F 62a_100000717365_100011219619 [0,1,0,0,0,1|0,2,0]=4 13969 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)F 62a_100011219619_100011934319 [0,1,0,0,0,1|0,2,0]=4 13970 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)I 62a_100011219619_100012349665 [0,1,0,0,0,1|0,2,0]=4 13971 B15R1.11630 OCC(O)CSCc1ccc(c(c1)Cl)I 62a_100012349665_100011219619 [0,1,0,0,0,1|0,2,0]=4 13972 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)Br 62a_100000767054_100011219619 [0,1,0,0,0,1|0,2,0]=4 13973 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)Br 62a_100011219619_100000767054 [0,1,0,0,0,1|0,2,0]=4 13974 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)Cl 62a_100000716492_100011219619 [0,1,0,0,0,1|0,1,0]=3 13975 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)Cl 62a_100011219619_100000716492 [0,1,0,0,0,1|0,1,0]=3 13976 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)F 62a_100000757363_100011219619 [0,1,0,0,0,1|0,2,0]=4 13977 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)F 62a_100011219619_100000757363 [0,1,0,0,0,1|0,2,0]=4 13978 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)I 62a_100010149604_100011219619 [0,1,0,0,0,1|0,2,0]=4 13979 B15R1.11630 OCC(O)CSCc1ccc(c(c1)F)I 62a_100011219619_100010149604 [0,1,0,0,0,1|0,2,0]=4 13980 B15R1.11630 OCC(O)CSCc1ccc(c(c1)I)Br 62a_100010146616_100011219619 [0,1,0,0,0,1|0,2,0]=4 13981 B15R1.11630 OCC(O)CSCc1ccc(c(c1)I)Br 62a_100011219619_100010146616 [0,1,0,0,0,1|0,2,0]=4 13982 B15R1.11630 OCC(O)CSCc1ccc(c(c1)I)F 62a_100010188208_100011219619 [0,1,0,0,0,1|0,2,0]=4 13983 B15R1.11630 OCC(O)CSCc1ccc(c(c1)I)F 62a_100011219619_100010188208 [0,1,0,0,0,1|0,2,0]=4 13984 B15R1.11630 OCC(O)CSCc1cnc(c(c1)Cl)Cl 62a_100009843750_100011219619 [0,1,0,0,0,1|1,1,0]=4 13985 B15R1.11630 OCC(O)CSCc1cnc(c(c1)Cl)Cl 62a_100011219619_100009843750 [0,1,0,0,0,1|1,1,0]=4 13986 B15R1.11630 OCC(O)CSCc1cnc(c(c1)I)Cl 62a_100011072623_100011219619 [0,1,0,0,0,1|1,1,0]=4 13987 B15R1.11630 OCC(O)CSCc1cnc(c(c1)I)Cl 62a_100011219619_100011072623 [0,1,0,0,0,1|1,1,0]=4 13988 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Br)Br 207a_100020644852_100011215943 [0,1,0,0,0,1|1,1,0]=4 13989 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Br)Br 2230a_100020644852_100012353900 [0,1,0,0,0,1|1,1,0]=4 13990 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Br)Cl 207a_100020644852_100000693810 [0,1,0,0,0,1|1,0,0]=3 13991 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Br)Cl 2230a_100020644852_100012353894 [0,1,0,0,0,1|1,0,0]=3 13992 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Br)F 207a_100020644852_100000211747 [0,1,0,0,0,1|1,1,0]=4 13993 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Br)F 2230a_100020644852_100011206884 [0,1,0,0,0,1|1,1,0]=4 13994 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Cl)Br 207a_100020644852_100000690054 [0,1,0,0,0,1|1,1,0]=4 13995 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Cl)Br 2230a_100020644852_100012353895 [0,1,0,0,0,1|1,1,0]=4 13996 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Cl)Cl 207a_100020644852_100000188533 [0,1,0,0,0,1|1,0,0]=3 13997 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Cl)Cl 2230a_100020644852_100000184707 [0,1,0,0,0,1|1,0,0]=3 13998 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Cl)F 207a_100020644852_100000742290 [0,1,0,0,0,1|1,1,0]=4 13999 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Cl)F 2230a_100020644852_100000717365 [0,1,0,0,0,1|1,1,0]=4 14000 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)Cl)I 2230a_100020644852_100012349665 [0,1,0,0,0,1|1,1,0]=4 14001 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)Br 207a_100020644852_100000686674 [0,1,0,0,0,1|1,1,0]=4 14002 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)Br 2230a_100020644852_100000767054 [0,1,0,0,0,1|1,1,0]=4 14003 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)Cl 207a_100020644852_100000745630 [0,1,0,0,0,1|1,0,0]=3 14004 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)Cl 2230a_100020644852_100000716492 [0,1,0,0,0,1|1,0,0]=3 14005 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)F 207a_100020644852_100000211062 [0,1,0,0,0,1|1,1,0]=4 14006 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)F 2230a_100020644852_100000757363 [0,1,0,0,0,1|1,1,0]=4 14007 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)I 207a_100020644852_100000050832 [0,1,0,0,0,1|1,1,0]=4 14008 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)F)I 2230a_100020644852_100010149604 [0,1,0,0,0,1|1,1,0]=4 14009 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)I)Br 207a_100020644852_100010146563 [0,1,0,0,0,1|1,1,0]=4 14010 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)I)Br 2230a_100020644852_100010146616 [0,1,0,0,0,1|1,1,0]=4 14011 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)I)Cl 207a_100020644852_100010209939 [0,1,0,0,0,1|1,0,0]=3 14012 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)I)F 207a_100020644852_100010188209 [0,1,0,0,0,1|1,1,0]=4 14013 B15R1.11630 OC[C@@H](O)CNCc1ccc(c(c1)I)F 2230a_100020644852_100010188208 [0,1,0,0,0,1|1,1,0]=4 14014 B15R1.11630 OC[C@@H](O)CNCc1cnc(c(c1)Br)Cl 207a_100020644852_100010244460 [0,1,0,0,0,1|2,0,0]=4 14015 B15R1.11630 OC[C@@H](O)CNCc1cnc(c(c1)Cl)Cl 2230a_100020644852_100009843750 [0,1,0,0,0,1|2,0,0]=4 14016 B15R1.11630 OC[C@@H](O)CNCc1cnc(c(c1)I)Cl 2230a_100020644852_100011072623 [0,1,0,0,0,1|2,0,0]=4 14017 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)Br)Cl 207a_100015665980_100000693810 [0,1,0,0,0,1|2,0,0]=4 14018 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)Br)Cl 270004a_100015665980_100000693810 [0,1,0,0,0,1|2,0,0]=4 14019 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)Br)Cl 34a_100015665980_100012353894 [0,1,0,0,0,1|2,0,0]=4 14020 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)Cl)Cl 207a_100015665980_100000188533 [0,1,0,0,0,1|2,0,0]=4 14021 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)Cl)Cl 270004a_100015665980_100000188533 [0,1,0,0,0,1|2,0,0]=4 14022 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)Cl)Cl 34a_100015665980_100000184707 [0,1,0,0,0,1|2,0,0]=4 14023 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)F)Cl 207a_100015665980_100000745630 [0,1,0,0,0,1|2,0,0]=4 14024 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)F)Cl 270004a_100015665980_100000745630 [0,1,0,0,0,1|2,0,0]=4 14025 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)F)Cl 34a_100015665980_100011519011 [0,1,0,0,0,1|2,0,0]=4 14026 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)I)Cl 207a_100015665980_100010209939 [0,1,0,0,0,1|2,0,0]=4 14027 B15R1.11630 OC[C@H](F)CNCc1ccc(c(c1)I)Cl 270004a_100015665980_100010209939 [0,1,0,0,0,1|2,0,0]=4 14028 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Br)Br 2230a_100012351559_100009815848 [0,1,0,0,0,1|1,1,0]=4 14029 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Br)Br 34a_100012351559_100009815848 [0,1,0,0,0,1|1,1,0]=4 14030 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100009815848 [0,1,0,0,0,1|1,0,0]=3 14031 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Br)Cl 34a_100012349490_100009815848 [0,1,0,0,0,1|1,0,0]=3 14032 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Br)F 2230a_100015193890_100009815848 [0,1,0,0,0,1|1,1,0]=4 14033 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Br)F 34a_100015193890_100009815848 [0,1,0,0,0,1|1,1,0]=4 14034 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100009815848 [0,1,0,0,0,1|1,1,0]=4 14035 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Cl)Br 34a_100012362553_100009815848 [0,1,0,0,0,1|1,1,0]=4 14036 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100009815848 [0,1,0,0,0,1|1,0,0]=3 14037 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100009815848 [0,1,0,0,0,1|1,0,0]=3 14038 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Cl)F 2230a_100000749334_100009815848 [0,1,0,0,0,1|1,1,0]=4 14039 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)Cl)F 34a_100000749334_100009815848 [0,1,0,0,0,1|1,1,0]=4 14040 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)F)Br 2230a_100000755036_100009815848 [0,1,0,0,0,1|1,1,0]=4 14041 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)F)Br 34a_100000755036_100009815848 [0,1,0,0,0,1|1,1,0]=4 14042 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)F)Cl 2230a_100011219866_100009815848 [0,1,0,0,0,1|1,0,0]=3 14043 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)F)Cl 34a_100011219866_100009815848 [0,1,0,0,0,1|1,0,0]=3 14044 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)F)F 2230a_100000737897_100009815848 [0,1,0,0,0,1|1,1,0]=4 14045 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)F)F 34a_100000737897_100009815848 [0,1,0,0,0,1|1,1,0]=4 14046 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)F)O 34a_100000758358_100009815848 [0,1,0,0,0,1|2,0,0]=4 14047 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)O)Cl 34a_100020636435_100009815848 [0,1,0,0,0,1|1,0,0]=3 14048 B15R1.11630 OC[C@H](O)CNCc1ccc(c(c1)O)F 34a_100160469508_100009815848 [0,1,0,0,0,1|1,1,0]=4 14049 B15R1.11630 OC[C@H](O)CNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100009815848 [0,1,0,0,0,1|2,0,0]=4 14050 B15R1.11630 OC[C@H](O)CNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100009815848 [0,1,0,0,0,1|2,0,0]=4 14051 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100009815848 [0,1,0,0,0,1|0,0,0]=2 14052 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100009815848 [0,1,0,0,0,1|0,0,0]=2 14053 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Br)F 34a_100000246287_100009815848 [0,1,0,0,0,1|0,1,0]=3 14054 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Br)F 7a_100000246287_100009815848 [0,1,0,0,0,1|0,1,0]=3 14055 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)Br 34a_100000709168_100009815848 [0,1,0,0,0,1|0,1,0]=3 14056 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)Br 7a_100000709168_100009815848 [0,1,0,0,0,1|0,1,0]=3 14057 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100009815848 [0,1,0,0,0,1|0,0,0]=2 14058 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100009815848 [0,1,0,0,0,1|0,0,0]=2 14059 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)F 34a_100011217911_100009815848 [0,1,0,0,0,1|0,1,0]=3 14060 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)F 7a_100011217911_100009815848 [0,1,0,0,0,1|0,1,0]=3 14061 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)I 34a_100000718186_100009815848 [0,1,0,0,0,1|0,1,0]=3 14062 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)Cl)I 7a_100000718186_100009815848 [0,1,0,0,0,1|0,1,0]=3 14063 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)Br 34a_100011533735_100009815848 [0,1,0,0,0,1|0,1,0]=3 14064 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)Br 7a_100011533735_100009815848 [0,1,0,0,0,1|0,1,0]=3 14065 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)Cl 34a_100011218299_100009815848 [0,1,0,0,0,1|0,0,0]=2 14066 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)Cl 7a_100011218299_100009815848 [0,1,0,0,0,1|0,0,0]=2 14067 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)F 34a_100011215442_100009815848 [0,1,0,0,0,1|0,1,0]=3 14068 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)F 7a_100011215442_100009815848 [0,1,0,0,0,1|0,1,0]=3 14069 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)I 34a_100010149597_100009815848 [0,1,0,0,0,1|0,1,0]=3 14070 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)F)I 7a_100010149597_100009815848 [0,1,0,0,0,1|0,1,0]=3 14071 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)I)F 34a_100000049585_100009815848 [0,1,0,0,0,1|0,1,0]=3 14072 B15R1.11630 OC[C@H](O)COCc1ccc(c(c1)I)F 7a_100000049585_100009815848 [0,1,0,0,0,1|0,1,0]=3 14073 B15R1.11630 OC[C@H](O)COCc1ccc(c(n1)Cl)Br 34a_100010065236_100009815848 [0,1,0,0,0,1|1,1,0]=4 14074 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)Br)Cl 34a_100010201731_100009815848 [0,1,0,0,0,1|1,0,0]=3 14075 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)Br)Cl 7a_100010201731_100009815848 [0,1,0,0,0,1|1,0,0]=3 14076 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)Cl)Cl 34a_100000042784_100009815848 [0,1,0,0,0,1|1,0,0]=3 14077 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)Cl)Cl 7a_100000042784_100009815848 [0,1,0,0,0,1|1,0,0]=3 14078 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)F)Br 34a_100010065243_100009815848 [0,1,0,0,0,1|1,1,0]=4 14079 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)F)Br 7a_100010065243_100009815848 [0,1,0,0,0,1|1,1,0]=4 14080 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)I)Cl 34a_200015217190_100009815848 [0,1,0,0,0,1|1,0,0]=3 14081 B15R1.11630 OC[C@H](O)COCc1cnc(c(c1)I)Cl 7a_200015217190_100009815848 [0,1,0,0,0,1|1,0,0]=3 14082 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Br)Br 62a_100009815848_100012353900 [0,1,0,0,0,1|0,2,0]=4 14083 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Br)Br 62a_100012353900_100009815848 [0,1,0,0,0,1|0,2,0]=4 14084 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Br)Cl 62a_100009815848_100012353894 [0,1,0,0,0,1|0,1,0]=3 14085 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Br)Cl 62a_100012353894_100009815848 [0,1,0,0,0,1|0,1,0]=3 14086 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Br)F 62a_100009815848_100011206884 [0,1,0,0,0,1|0,2,0]=4 14087 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Br)F 62a_100011206884_100009815848 [0,1,0,0,0,1|0,2,0]=4 14088 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)Br 62a_100009815848_100012353895 [0,1,0,0,0,1|0,2,0]=4 14089 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)Br 62a_100012353895_100009815848 [0,1,0,0,0,1|0,2,0]=4 14090 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100009815848 [0,1,0,0,0,1|0,1,0]=3 14091 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)Cl 62a_100009815848_100000184707 [0,1,0,0,0,1|0,1,0]=3 14092 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)F 62a_100000717365_100009815848 [0,1,0,0,0,1|0,2,0]=4 14093 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)F 62a_100009815848_100011934319 [0,1,0,0,0,1|0,2,0]=4 14094 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)I 62a_100009815848_100012349665 [0,1,0,0,0,1|0,2,0]=4 14095 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)Cl)I 62a_100012349665_100009815848 [0,1,0,0,0,1|0,2,0]=4 14096 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)Br 62a_100000767054_100009815848 [0,1,0,0,0,1|0,2,0]=4 14097 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)Br 62a_100009815848_100000767054 [0,1,0,0,0,1|0,2,0]=4 14098 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)Cl 62a_100000716492_100009815848 [0,1,0,0,0,1|0,1,0]=3 14099 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)Cl 62a_100009815848_100000716492 [0,1,0,0,0,1|0,1,0]=3 14100 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)F 62a_100000757363_100009815848 [0,1,0,0,0,1|0,2,0]=4 14101 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)F 62a_100009815848_100000757363 [0,1,0,0,0,1|0,2,0]=4 14102 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)I 62a_100009815848_100010149604 [0,1,0,0,0,1|0,2,0]=4 14103 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)F)I 62a_100010149604_100009815848 [0,1,0,0,0,1|0,2,0]=4 14104 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)I)Br 62a_100009815848_100010146616 [0,1,0,0,0,1|0,2,0]=4 14105 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)I)Br 62a_100010146616_100009815848 [0,1,0,0,0,1|0,2,0]=4 14106 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)I)F 62a_100009815848_100010188208 [0,1,0,0,0,1|0,2,0]=4 14107 B15R1.11630 OC[C@H](O)CSCc1ccc(c(c1)I)F 62a_100010188208_100009815848 [0,1,0,0,0,1|0,2,0]=4 14108 B15R1.11630 OC[C@H](O)CSCc1cnc(c(c1)Cl)Cl 62a_100009815848_100009843750 [0,1,0,0,0,1|1,1,0]=4 14109 B15R1.11630 OC[C@H](O)CSCc1cnc(c(c1)Cl)Cl 62a_100009843750_100009815848 [0,1,0,0,0,1|1,1,0]=4 14110 B15R1.11630 OC[C@H](O)CSCc1cnc(c(c1)I)Cl 62a_100009815848_100011072623 [0,1,0,0,0,1|1,1,0]=4 14111 B15R1.11630 OC[C@H](O)CSCc1cnc(c(c1)I)Cl 62a_100011072623_100009815848 [0,1,0,0,0,1|1,1,0]=4 14112 B15R1.11630 O[C@@H](CF)CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100015614560 [0,1,0,0,0,1|2,0,0]=4 14113 B15R1.11630 O[C@@H](CF)CNCc1ccc(c(c1)Br)Cl 34a_100012349490_100015614560 [0,1,0,0,0,1|2,0,0]=4 14114 B15R1.11630 O[C@@H](CF)CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100015614560 [0,1,0,0,0,1|2,0,0]=4 14115 B15R1.11630 O[C@@H](CF)CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100015614560 [0,1,0,0,0,1|2,0,0]=4 14116 B15R1.11630 O[C@@H](CF)CNCc1ccc(c(c1)F)Cl 2230a_100011219866_100015614560 [0,1,0,0,0,1|2,0,0]=4 14117 B15R1.11630 O[C@@H](CF)CNCc1ccc(c(c1)F)Cl 34a_100011219866_100015614560 [0,1,0,0,0,1|2,0,0]=4 14118 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Br)Cl 34a_100012353893_100015614560 [0,1,0,0,0,1|1,0,0]=3 14119 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Br)Cl 7a_100012353893_100015614560 [0,1,0,0,0,1|1,0,0]=3 14120 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Br)F 34a_100000246287_100015614560 [0,1,0,0,0,1|1,1,0]=4 14121 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Br)F 7a_100000246287_100015614560 [0,1,0,0,0,1|1,1,0]=4 14122 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)Br 34a_100000709168_100015614560 [0,1,0,0,0,1|1,1,0]=4 14123 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)Br 7a_100000709168_100015614560 [0,1,0,0,0,1|1,1,0]=4 14124 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)Cl 34a_100000211588_100015614560 [0,1,0,0,0,1|1,0,0]=3 14125 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)Cl 7a_100000211588_100015614560 [0,1,0,0,0,1|1,0,0]=3 14126 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)F 34a_100011217911_100015614560 [0,1,0,0,0,1|1,1,0]=4 14127 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)F 7a_100011217911_100015614560 [0,1,0,0,0,1|1,1,0]=4 14128 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)I 34a_100000718186_100015614560 [0,1,0,0,0,1|1,1,0]=4 14129 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)Cl)I 7a_100000718186_100015614560 [0,1,0,0,0,1|1,1,0]=4 14130 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)Br 34a_100011533735_100015614560 [0,1,0,0,0,1|1,1,0]=4 14131 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)Br 7a_100011533735_100015614560 [0,1,0,0,0,1|1,1,0]=4 14132 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)Cl 34a_100011218299_100015614560 [0,1,0,0,0,1|1,0,0]=3 14133 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)Cl 7a_100011218299_100015614560 [0,1,0,0,0,1|1,0,0]=3 14134 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)F 34a_100011215442_100015614560 [0,1,0,0,0,1|1,1,0]=4 14135 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)F 7a_100011215442_100015614560 [0,1,0,0,0,1|1,1,0]=4 14136 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)I 34a_100010149597_100015614560 [0,1,0,0,0,1|1,1,0]=4 14137 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)F)I 7a_100010149597_100015614560 [0,1,0,0,0,1|1,1,0]=4 14138 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)I)F 34a_100000049585_100015614560 [0,1,0,0,0,1|1,1,0]=4 14139 B15R1.11630 O[C@@H](CF)COCc1ccc(c(c1)I)F 7a_100000049585_100015614560 [0,1,0,0,0,1|1,1,0]=4 14140 B15R1.11630 O[C@@H](CF)COCc1cnc(c(c1)Br)Cl 34a_100010201731_100015614560 [0,1,0,0,0,1|2,0,0]=4 14141 B15R1.11630 O[C@@H](CF)COCc1cnc(c(c1)Br)Cl 7a_100010201731_100015614560 [0,1,0,0,0,1|2,0,0]=4 14142 B15R1.11630 O[C@@H](CF)COCc1cnc(c(c1)Cl)Cl 34a_100000042784_100015614560 [0,1,0,0,0,1|2,0,0]=4 14143 B15R1.11630 O[C@@H](CF)COCc1cnc(c(c1)Cl)Cl 7a_100000042784_100015614560 [0,1,0,0,0,1|2,0,0]=4 14144 B15R1.11630 O[C@@H](CF)COCc1cnc(c(c1)I)Cl 34a_200015217190_100015614560 [0,1,0,0,0,1|2,0,0]=4 14145 B15R1.11630 O[C@@H](CF)COCc1cnc(c(c1)I)Cl 7a_200015217190_100015614560 [0,1,0,0,0,1|2,0,0]=4 14146 B15R1.11630 O[C@@H](CF)CSCc1ccc(c(c1)Br)Cl 62a_100012353894_100015614560 [0,1,0,0,0,1|1,1,0]=4 14147 B15R1.11630 O[C@@H](CF)CSCc1ccc(c(c1)Br)Cl 62a_100015614560_100012353894 [0,1,0,0,0,1|1,1,0]=4 14148 B15R1.11630 O[C@@H](CF)CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100015614560 [0,1,0,0,0,1|1,1,0]=4 14149 B15R1.11630 O[C@@H](CF)CSCc1ccc(c(c1)Cl)Cl 62a_100015614560_100000184707 [0,1,0,0,0,1|1,1,0]=4 14150 B15R1.11630 O[C@@H](CF)CSCc1ccc(c(c1)F)Cl 62a_100000716492_100015614560 [0,1,0,0,0,1|1,1,0]=4 14151 B15R1.11630 O[C@@H](CF)CSCc1ccc(c(c1)F)Cl 62a_100015614560_100000716492 [0,1,0,0,0,1|1,1,0]=4 14152 B15R1.11630 Oc1cc(ccc1Cl)CNC[C@@H](O)CF 34a_100020636435_100015614560 [0,1,0,0,0,1|2,0,0]=4 14153 B15R1.18 C/C=C/c1ccc(cc1)SCC(O)CO 62a_100011219619_100016259036 [0,2,0,0,0,0|1,1,0]=4 14154 B15R1.18 C/C=C/c1ccc(cc1)SCC(O)CO 62a_100016259036_100011219619 [0,2,0,0,0,0|1,1,0]=4 14155 B15R1.18 C/C=C/c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100016259036 [0,2,0,0,0,0|1,1,0]=4 14156 B15R1.18 C/C=C/c1ccc(cc1)SC[C@@H](O)CO 62a_100016259036_100009815848 [0,2,0,0,0,0|1,1,0]=4 14157 B15R1.18 C=CCc1ccc(cc1)OCC(O)CC 34a_100000078792_100011218378 [0,2,0,0,0,0|2,0,0]=4 14158 B15R1.18 C=CCc1ccc(cc1)OCC(O)CC 7a_100000078792_100011218378 [0,2,0,0,0,0|2,0,0]=4 14159 B15R1.18 C=CCc1ccc(cc1)OCC(O)CO 34a_100000078792_100011219619 [0,2,0,0,0,0|1,0,0]=3 14160 B15R1.18 C=CCc1ccc(cc1)OCC(O)CO 7a_100000078792_100011219619 [0,2,0,0,0,0|1,0,0]=3 14161 B15R1.18 C=CCc1ccc(cc1)OC[C@@H](C)CO 34a_100000078792_100000059175 [0,2,0,0,0,0|2,0,0]=4 14162 B15R1.18 C=CCc1ccc(cc1)OC[C@@H](C)CO 7a_100000078792_100000059175 [0,2,0,0,0,0|2,0,0]=4 14163 B15R1.18 C=CCc1ccc(cc1)OC[C@@H](O)CF 34a_100000078792_100015614560 [0,2,0,0,0,0|2,0,0]=4 14164 B15R1.18 C=CCc1ccc(cc1)OC[C@@H](O)CF 7a_100000078792_100015614560 [0,2,0,0,0,0|2,0,0]=4 14165 B15R1.18 C=CCc1ccc(cc1)OC[C@@H](O)CO 34a_100000078792_100009815848 [0,2,0,0,0,0|1,0,0]=3 14166 B15R1.18 C=CCc1ccc(cc1)OC[C@@H](O)CO 7a_100000078792_100009815848 [0,2,0,0,0,0|1,0,0]=3 14167 B15R1.18 C=COc1ccc(cc1)SCC(O)CO 62a_100000704263_100011219619 [0,2,0,0,0,0|1,1,0]=4 14168 B15R1.18 C=COc1ccc(cc1)SCC(O)CO 62a_100011219619_100000704263 [0,2,0,0,0,0|1,1,0]=4 14169 B15R1.18 C=COc1ccc(cc1)SC[C@@H](O)CO 62a_100000704263_100009815848 [0,2,0,0,0,0|1,1,0]=4 14170 B15R1.18 C=COc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000704263 [0,2,0,0,0,0|1,1,0]=4 14171 B15R1.18 CCC(O)COc1ccc(cc1)CC#N 34a_100000198970_100011218378 [0,2,0,0,0,0|2,0,0]=4 14172 B15R1.18 CCC(O)COc1ccc(cc1)CC#N 7a_100000198970_100011218378 [0,2,0,0,0,0|2,0,0]=4 14173 B15R1.18 CCC(O)COc1ccc(cc1)CCBr 34a_100009816426_100011218378 [0,2,0,0,0,0|1,1,0]=4 14174 B15R1.18 CCC(O)COc1ccc(cc1)CCBr 7a_100009816426_100011218378 [0,2,0,0,0,0|1,1,0]=4 14175 B15R1.18 CCC(O)COc1ccc(cc1)CCN 34a_100000743037_100011218378 [0,2,0,0,0,0|2,0,0]=4 14176 B15R1.18 CCC(O)COc1ccc(cc1)CCO 34a_100011215338_100011218378 [0,2,0,0,0,0|2,0,0]=4 14177 B15R1.18 CCC(O)COc1ccc(cc1)CCO 7a_100011215338_100011218378 [0,2,0,0,0,0|2,0,0]=4 14178 B15R1.18 CCC(O)COc1ccc(cc1)CNC 34a_100000207500_100011218378 [0,2,0,0,0,0|2,0,0]=4 14179 B15R1.18 CCC(O)COc1ccc(cc1)COC 34a_200011995677_100011218378 [0,2,0,0,0,0|2,0,0]=4 14180 B15R1.18 CCC(O)COc1ccc(cc1)COC 7a_200011995677_100011218378 [0,2,0,0,0,0|2,0,0]=4 14181 B15R1.18 CCCc1ccc(cc1)NCC(O)CO 2230a_100000211780_100011219619 [0,2,0,0,0,0|2,0,0]=4 14182 B15R1.18 CCCc1ccc(cc1)NCC(O)CO 34a_100000211780_100011219619 [0,2,0,0,0,0|2,0,0]=4 14183 B15R1.18 CCCc1ccc(cc1)NC[C@@H](O)CO 2230a_100000211780_100009815848 [0,2,0,0,0,0|2,0,0]=4 14184 B15R1.18 CCCc1ccc(cc1)NC[C@@H](O)CO 34a_100000211780_100009815848 [0,2,0,0,0,0|2,0,0]=4 14185 B15R1.18 CCCc1ccc(cc1)OCC(O)CC 34a_100000749406_100011218378 [0,2,0,0,0,0|2,0,0]=4 14186 B15R1.18 CCCc1ccc(cc1)OCC(O)CC 7a_100000749406_100011218378 [0,2,0,0,0,0|2,0,0]=4 14187 B15R1.18 CCCc1ccc(cc1)OCC(O)CO 34a_100000749406_100011219619 [0,2,0,0,0,0|1,0,0]=3 14188 B15R1.18 CCCc1ccc(cc1)OCC(O)CO 7a_100000749406_100011219619 [0,2,0,0,0,0|1,0,0]=3 14189 B15R1.18 CCCc1ccc(cc1)OC[C@@H](C)CO 34a_100000749406_100000059175 [0,2,0,0,0,0|2,0,0]=4 14190 B15R1.18 CCCc1ccc(cc1)OC[C@@H](C)CO 7a_100000749406_100000059175 [0,2,0,0,0,0|2,0,0]=4 14191 B15R1.18 CCCc1ccc(cc1)OC[C@@H](O)CF 34a_100000749406_100015614560 [0,2,0,0,0,0|2,0,0]=4 14192 B15R1.18 CCCc1ccc(cc1)OC[C@@H](O)CF 7a_100000749406_100015614560 [0,2,0,0,0,0|2,0,0]=4 14193 B15R1.18 CCCc1ccc(cc1)OC[C@@H](O)CO 34a_100000749406_100009815848 [0,2,0,0,0,0|1,0,0]=3 14194 B15R1.18 CCCc1ccc(cc1)OC[C@@H](O)CO 7a_100000749406_100009815848 [0,2,0,0,0,0|1,0,0]=3 14195 B15R1.18 CCCc1ccc(cc1)SCC(O)CO 62a_100000750032_100011219619 [0,2,0,0,0,0|1,1,0]=4 14196 B15R1.18 CCCc1ccc(cc1)SCC(O)CO 62a_100011219619_100000750032 [0,2,0,0,0,0|1,1,0]=4 14197 B15R1.18 CCCc1ccc(cc1)SC[C@@H](O)CO 62a_100000750032_100009815848 [0,2,0,0,0,0|1,1,0]=4 14198 B15R1.18 CCCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000750032 [0,2,0,0,0,0|1,1,0]=4 14199 B15R1.18 CCNc1ccc(cc1)OCC(O)CC 34a_100011337800_100011218378 [0,2,0,0,0,0|2,0,0]=4 14200 B15R1.18 CCNc1ccc(cc1)OCC(O)CC 7a_100011337800_100011218378 [0,2,0,0,0,0|2,0,0]=4 14201 B15R1.18 CCNc1ccc(cc1)OCC(O)CO 34a_100011337800_100011219619 [0,2,0,0,0,0|1,0,0]=3 14202 B15R1.18 CCNc1ccc(cc1)OCC(O)CO 7a_100011337800_100011219619 [0,2,0,0,0,0|1,0,0]=3 14203 B15R1.18 CCNc1ccc(cc1)OC[C@@H](C)CO 34a_100011337800_100000059175 [0,2,0,0,0,0|2,0,0]=4 14204 B15R1.18 CCNc1ccc(cc1)OC[C@@H](C)CO 7a_100011337800_100000059175 [0,2,0,0,0,0|2,0,0]=4 14205 B15R1.18 CCNc1ccc(cc1)OC[C@@H](O)CF 34a_100011337800_100015614560 [0,2,0,0,0,0|2,0,0]=4 14206 B15R1.18 CCNc1ccc(cc1)OC[C@@H](O)CF 7a_100011337800_100015614560 [0,2,0,0,0,0|2,0,0]=4 14207 B15R1.18 CCNc1ccc(cc1)OC[C@@H](O)CO 34a_100011337800_100009815848 [0,2,0,0,0,0|1,0,0]=3 14208 B15R1.18 CCNc1ccc(cc1)OC[C@@H](O)CO 7a_100011337800_100009815848 [0,2,0,0,0,0|1,0,0]=3 14209 B15R1.18 CCNc1ccc(cc1)SCC(O)CO 62a_100011219619_100000219632 [0,2,0,0,0,0|1,1,0]=4 14210 B15R1.18 CCNc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000219632 [0,2,0,0,0,0|1,1,0]=4 14211 B15R1.18 CCOc1ccc(cc1)NCC(O)CO 2230a_100000739623_100011219619 [0,2,0,0,0,0|2,0,0]=4 14212 B15R1.18 CCOc1ccc(cc1)NCC(O)CO 34a_100000739623_100011219619 [0,2,0,0,0,0|2,0,0]=4 14213 B15R1.18 CCOc1ccc(cc1)NC[C@@H](O)CO 2230a_100000739623_100009815848 [0,2,0,0,0,0|2,0,0]=4 14214 B15R1.18 CCOc1ccc(cc1)NC[C@@H](O)CO 34a_100000739623_100009815848 [0,2,0,0,0,0|2,0,0]=4 14215 B15R1.18 CCOc1ccc(cc1)OCC(O)CC 34a_100000185467_100011218378 [0,2,0,0,0,0|2,0,0]=4 14216 B15R1.18 CCOc1ccc(cc1)OCC(O)CO 34a_100000185467_100011219619 [0,2,0,0,0,0|1,0,0]=3 14217 B15R1.18 CCOc1ccc(cc1)OC[C@@H](C)CO 34a_100000185467_100000059175 [0,2,0,0,0,0|2,0,0]=4 14218 B15R1.18 CCOc1ccc(cc1)OC[C@@H](O)CF 34a_100000185467_100015614560 [0,2,0,0,0,0|2,0,0]=4 14219 B15R1.18 CCOc1ccc(cc1)OC[C@@H](O)CO 34a_100000185467_100009815848 [0,2,0,0,0,0|1,0,0]=3 14220 B15R1.18 CCOc1ccc(cc1)SCC(O)CO 62a_100011219619_100000171712 [0,2,0,0,0,0|1,1,0]=4 14221 B15R1.18 CCOc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000171712 [0,2,0,0,0,0|1,1,0]=4 14222 B15R1.18 CCSc1ccc(cc1)NCC(O)CO 34a_100015187087_100011219619 [0,2,0,0,0,0|2,0,0]=4 14223 B15R1.18 CCSc1ccc(cc1)NC[C@@H](O)CO 34a_100015187087_100009815848 [0,2,0,0,0,0|2,0,0]=4 14224 B15R1.18 CCSc1ccc(cc1)SCC(O)CO 62a_100011219619_200009811893 [0,2,0,0,0,0|1,1,0]=4 14225 B15R1.18 CCSc1ccc(cc1)SCC(O)CO 62a_200009811893_100011219619 [0,2,0,0,0,0|1,1,0]=4 14226 B15R1.18 CCSc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_200009811893 [0,2,0,0,0,0|1,1,0]=4 14227 B15R1.18 CCSc1ccc(cc1)SC[C@@H](O)CO 62a_200009811893_100009815848 [0,2,0,0,0,0|1,1,0]=4 14228 B15R1.18 CNCc1ccc(cc1)OCC(O)CO 34a_100000207500_100011219619 [0,2,0,0,0,0|1,0,0]=3 14229 B15R1.18 CNCc1ccc(cc1)OC[C@@H](C)CO 34a_100000207500_100000059175 [0,2,0,0,0,0|2,0,0]=4 14230 B15R1.18 CNCc1ccc(cc1)OC[C@@H](O)CF 34a_100000207500_100015614560 [0,2,0,0,0,0|2,0,0]=4 14231 B15R1.18 CNCc1ccc(cc1)OC[C@@H](O)CO 34a_100000207500_100009815848 [0,2,0,0,0,0|1,0,0]=3 14232 B15R1.18 CNCc1ccc(cc1)SCC(O)CO 62a_100000180866_100011219619 [0,2,0,0,0,0|1,1,0]=4 14233 B15R1.18 CNCc1ccc(cc1)SCC(O)CO 62a_100011219619_100000180866 [0,2,0,0,0,0|1,1,0]=4 14234 B15R1.18 CNCc1ccc(cc1)SC[C@@H](O)CO 62a_100000180866_100009815848 [0,2,0,0,0,0|1,1,0]=4 14235 B15R1.18 CNCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000180866 [0,2,0,0,0,0|1,1,0]=4 14236 B15R1.18 COCc1ccc(cc1)NCC(O)CO 34a_100000694113_100011219619 [0,2,0,0,0,0|2,0,0]=4 14237 B15R1.18 COCc1ccc(cc1)NC[C@@H](O)CO 34a_100000694113_100009815848 [0,2,0,0,0,0|2,0,0]=4 14238 B15R1.18 COCc1ccc(cc1)OCC(O)CO 34a_200011995677_100011219619 [0,2,0,0,0,0|1,0,0]=3 14239 B15R1.18 COCc1ccc(cc1)OCC(O)CO 7a_200011995677_100011219619 [0,2,0,0,0,0|1,0,0]=3 14240 B15R1.18 COCc1ccc(cc1)OC[C@@H](C)CO 34a_200011995677_100000059175 [0,2,0,0,0,0|2,0,0]=4 14241 B15R1.18 COCc1ccc(cc1)OC[C@@H](C)CO 7a_200011995677_100000059175 [0,2,0,0,0,0|2,0,0]=4 14242 B15R1.18 COCc1ccc(cc1)OC[C@@H](O)CF 34a_200011995677_100015614560 [0,2,0,0,0,0|2,0,0]=4 14243 B15R1.18 COCc1ccc(cc1)OC[C@@H](O)CF 7a_200011995677_100015614560 [0,2,0,0,0,0|2,0,0]=4 14244 B15R1.18 COCc1ccc(cc1)OC[C@@H](O)CO 34a_200011995677_100009815848 [0,2,0,0,0,0|1,0,0]=3 14245 B15R1.18 COCc1ccc(cc1)OC[C@@H](O)CO 7a_200011995677_100009815848 [0,2,0,0,0,0|1,0,0]=3 14246 B15R1.18 COCc1ccc(cc1)SCC(O)CO 62a_100011219619_100011493685 [0,2,0,0,0,0|1,1,0]=4 14247 B15R1.18 COCc1ccc(cc1)SCC(O)CO 62a_100011493685_100011219619 [0,2,0,0,0,0|1,1,0]=4 14248 B15R1.18 COCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100011493685 [0,2,0,0,0,0|1,1,0]=4 14249 B15R1.18 COCc1ccc(cc1)SC[C@@H](O)CO 62a_100011493685_100009815848 [0,2,0,0,0,0|1,1,0]=4 14250 B15R1.18 CSCc1ccc(cc1)NCC(O)CO 2230a_106726388226_100011219619 [0,2,0,0,0,0|2,0,0]=4 14251 B15R1.18 CSCc1ccc(cc1)NCC(O)CO 34a_106726388226_100011219619 [0,2,0,0,0,0|2,0,0]=4 14252 B15R1.18 CSCc1ccc(cc1)NCC(O)CO 7a_106726388226_100011219619 [0,2,0,0,0,0|2,0,0]=4 14253 B15R1.18 CSCc1ccc(cc1)NC[C@@H](O)CO 2230a_106726388226_100009815848 [0,2,0,0,0,0|2,0,0]=4 14254 B15R1.18 CSCc1ccc(cc1)NC[C@@H](O)CO 34a_106726388226_100009815848 [0,2,0,0,0,0|2,0,0]=4 14255 B15R1.18 CSCc1ccc(cc1)NC[C@@H](O)CO 7a_106726388226_100009815848 [0,2,0,0,0,0|2,0,0]=4 14256 B15R1.18 C[C@@H](CO)COc1ccc(cc1)CC#N 34a_100000198970_100000059175 [0,2,0,0,0,0|2,0,0]=4 14257 B15R1.18 C[C@@H](CO)COc1ccc(cc1)CC#N 7a_100000198970_100000059175 [0,2,0,0,0,0|2,0,0]=4 14258 B15R1.18 C[C@@H](CO)COc1ccc(cc1)CCBr 34a_100009816426_100000059175 [0,2,0,0,0,0|1,1,0]=4 14259 B15R1.18 C[C@@H](CO)COc1ccc(cc1)CCBr 7a_100009816426_100000059175 [0,2,0,0,0,0|1,1,0]=4 14260 B15R1.18 C[C@@H](CO)COc1ccc(cc1)CCN 34a_100000743037_100000059175 [0,2,0,0,0,0|2,0,0]=4 14261 B15R1.18 C[C@@H](CO)COc1ccc(cc1)CCO 34a_100011215338_100000059175 [0,2,0,0,0,0|2,0,0]=4 14262 B15R1.18 C[C@@H](CO)COc1ccc(cc1)CCO 7a_100011215338_100000059175 [0,2,0,0,0,0|2,0,0]=4 14263 B15R1.18 N#CCc1ccc(cc1)NCC(O)CO 34a_100000198999_100011219619 [0,2,0,0,0,0|2,0,0]=4 14264 B15R1.18 N#CCc1ccc(cc1)NC[C@@H](O)CO 34a_100000198999_100009815848 [0,2,0,0,0,0|2,0,0]=4 14265 B15R1.18 N#CCc1ccc(cc1)OCC(O)CO 34a_100000198970_100011219619 [0,2,0,0,0,0|1,0,0]=3 14266 B15R1.18 N#CCc1ccc(cc1)OCC(O)CO 7a_100000198970_100011219619 [0,2,0,0,0,0|1,0,0]=3 14267 B15R1.18 N#CCc1ccc(cc1)OC[C@@H](O)CF 34a_100000198970_100015614560 [0,2,0,0,0,0|2,0,0]=4 14268 B15R1.18 N#CCc1ccc(cc1)OC[C@@H](O)CF 7a_100000198970_100015614560 [0,2,0,0,0,0|2,0,0]=4 14269 B15R1.18 N#CCc1ccc(cc1)OC[C@@H](O)CO 34a_100000198970_100009815848 [0,2,0,0,0,0|1,0,0]=3 14270 B15R1.18 N#CCc1ccc(cc1)OC[C@@H](O)CO 7a_100000198970_100009815848 [0,2,0,0,0,0|1,0,0]=3 14271 B15R1.18 N#CCc1ccc(cc1)SCC(O)CO 62a_100011217881_100011219619 [0,2,0,0,0,0|1,1,0]=4 14272 B15R1.18 N#CCc1ccc(cc1)SCC(O)CO 62a_100011219619_100011217881 [0,2,0,0,0,0|1,1,0]=4 14273 B15R1.18 N#CCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100011217881 [0,2,0,0,0,0|1,1,0]=4 14274 B15R1.18 N#CCc1ccc(cc1)SC[C@@H](O)CO 62a_100011217881_100009815848 [0,2,0,0,0,0|1,1,0]=4 14275 B15R1.18 N#CNc1ccc(cc1)SCC(O)CO 62a_100011219619_100011685341 [0,2,0,0,0,0|1,1,0]=4 14276 B15R1.18 N#CNc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100011685341 [0,2,0,0,0,0|1,1,0]=4 14277 B15R1.18 NCCc1ccc(cc1)OCC(O)CO 34a_100000743037_100011219619 [0,2,0,0,0,0|1,0,0]=3 14278 B15R1.18 NCCc1ccc(cc1)OC[C@@H](O)CF 34a_100000743037_100015614560 [0,2,0,0,0,0|2,0,0]=4 14279 B15R1.18 NCCc1ccc(cc1)OC[C@@H](O)CO 34a_100000743037_100009815848 [0,2,0,0,0,0|1,0,0]=3 14280 B15R1.18 NCCc1ccc(cc1)SCC(O)CO 62a_100000755846_100011219619 [0,2,0,0,0,0|1,1,0]=4 14281 B15R1.18 NCCc1ccc(cc1)SCC(O)CO 62a_100011219619_100000755846 [0,2,0,0,0,0|1,1,0]=4 14282 B15R1.18 NCCc1ccc(cc1)SC[C@@H](O)CO 62a_100000755846_100009815848 [0,2,0,0,0,0|1,1,0]=4 14283 B15R1.18 NCCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000755846 [0,2,0,0,0,0|1,1,0]=4 14284 B15R1.18 NNCc1ccc(cc1)SCC(O)CO 62a_100011219619_100016993955 [0,2,0,0,0,0|1,1,0]=4 14285 B15R1.18 NNCc1ccc(cc1)SCC(O)CO 62a_100016993955_100011219619 [0,2,0,0,0,0|1,1,0]=4 14286 B15R1.18 NNCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100016993955 [0,2,0,0,0,0|1,1,0]=4 14287 B15R1.18 NNCc1ccc(cc1)SC[C@@H](O)CO 62a_100016993955_100009815848 [0,2,0,0,0,0|1,1,0]=4 14288 B15R1.18 O=CCc1ccc(cc1)SCC(O)CO 62a_100011219619_100011361690 [0,2,0,0,0,0|1,1,0]=4 14289 B15R1.18 O=CCc1ccc(cc1)SCC(O)CO 62a_100011361690_100011219619 [0,2,0,0,0,0|1,1,0]=4 14290 B15R1.18 O=CCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100011361690 [0,2,0,0,0,0|1,1,0]=4 14291 B15R1.18 O=CCc1ccc(cc1)SC[C@@H](O)CO 62a_100011361690_100009815848 [0,2,0,0,0,0|1,1,0]=4 14292 B15R1.18 OCC(O)COc1ccc(cc1)CCBr 34a_100009816426_100011219619 [0,2,0,0,0,0|0,1,0]=3 14293 B15R1.18 OCC(O)COc1ccc(cc1)CCBr 7a_100009816426_100011219619 [0,2,0,0,0,0|0,1,0]=3 14294 B15R1.18 OCC(O)CSc1ccc(cc1)/C=C/Br 62a_100011219619_200016255901 [0,2,0,0,0,0|0,2,0]=4 14295 B15R1.18 OCC(O)CSc1ccc(cc1)/C=C/Br 62a_200016255901_100011219619 [0,2,0,0,0,0|0,2,0]=4 14296 B15R1.18 OCCc1ccc(cc1)NCC(O)CO 2230a_100011204434_100011219619 [0,2,0,0,0,0|2,0,0]=4 14297 B15R1.18 OCCc1ccc(cc1)NCC(O)CO 34a_100011204434_100011219619 [0,2,0,0,0,0|2,0,0]=4 14298 B15R1.18 OCCc1ccc(cc1)NC[C@@H](O)CO 2230a_100011204434_100009815848 [0,2,0,0,0,0|2,0,0]=4 14299 B15R1.18 OCCc1ccc(cc1)NC[C@@H](O)CO 34a_100011204434_100009815848 [0,2,0,0,0,0|2,0,0]=4 14300 B15R1.18 OCCc1ccc(cc1)OCC(O)CO 34a_100011215338_100011219619 [0,2,0,0,0,0|1,0,0]=3 14301 B15R1.18 OCCc1ccc(cc1)OCC(O)CO 7a_100011215338_100011219619 [0,2,0,0,0,0|1,0,0]=3 14302 B15R1.18 OCCc1ccc(cc1)OC[C@@H](O)CF 34a_100011215338_100015614560 [0,2,0,0,0,0|2,0,0]=4 14303 B15R1.18 OCCc1ccc(cc1)OC[C@@H](O)CF 7a_100011215338_100015614560 [0,2,0,0,0,0|2,0,0]=4 14304 B15R1.18 OCCc1ccc(cc1)OC[C@@H](O)CO 34a_100011215338_100009815848 [0,2,0,0,0,0|1,0,0]=3 14305 B15R1.18 OCCc1ccc(cc1)OC[C@@H](O)CO 7a_100011215338_100009815848 [0,2,0,0,0,0|1,0,0]=3 14306 B15R1.18 OCCc1ccc(cc1)SCC(O)CO 62a_100000766406_100011219619 [0,2,0,0,0,0|1,1,0]=4 14307 B15R1.18 OCCc1ccc(cc1)SCC(O)CO 62a_100011219619_100000766406 [0,2,0,0,0,0|1,1,0]=4 14308 B15R1.18 OCCc1ccc(cc1)SC[C@@H](O)CO 62a_100000766406_100009815848 [0,2,0,0,0,0|1,1,0]=4 14309 B15R1.18 OCCc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000766406 [0,2,0,0,0,0|1,1,0]=4 14310 B15R1.18 OC[C@H](O)COc1ccc(cc1)CCBr 34a_100009816426_100009815848 [0,2,0,0,0,0|0,1,0]=3 14311 B15R1.18 OC[C@H](O)COc1ccc(cc1)CCBr 7a_100009816426_100009815848 [0,2,0,0,0,0|0,1,0]=3 14312 B15R1.18 OC[C@H](O)CSc1ccc(cc1)/C=C/Br 62a_100009815848_200016255901 [0,2,0,0,0,0|0,2,0]=4 14313 B15R1.18 OC[C@H](O)CSc1ccc(cc1)/C=C/Br 62a_200016255901_100009815848 [0,2,0,0,0,0|0,2,0]=4 14314 B15R1.18 O[C@@H](CF)COc1ccc(cc1)CCBr 34a_100009816426_100015614560 [0,2,0,0,0,0|1,1,0]=4 14315 B15R1.18 O[C@@H](CF)COc1ccc(cc1)CCBr 7a_100009816426_100015614560 [0,2,0,0,0,0|1,1,0]=4 14316 B15R1.18 [N-]=[N+]=Nc1ccc(cc1)NCC(O)CO 2230a_100000032754_100011219619 [0,2,0,0,0,0|2,0,0]=4 14317 B15R1.18 [N-]=[N+]=Nc1ccc(cc1)NC[C@@H](O)CO 2230a_100000032754_100009815848 [0,2,0,0,0,0|2,0,0]=4 14318 B15R1.18 [N-]=[N+]=Nc1ccc(cc1)SCC(O)CO 62a_100011219619_100000735661 [0,2,0,0,0,0|1,1,0]=4 14319 B15R1.18 [N-]=[N+]=Nc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000735661 [0,2,0,0,0,0|1,1,0]=4 14320 B15R1.211 CN(CC(O)CO)c1ccc(cc1)C#N 34a_100000739737_100011219619 [0,2,0,0,0,0|2,0,0]=4 14321 B15R1.211 CN(C[C@@H](O)CO)c1ccc(cc1)C#N 34a_100000739737_100009815848 [0,2,0,0,0,0|2,0,0]=4 14322 B15R1.211 COc1ccc(cc1)N(C)CC(O)CO 2230a_100000220023_100011219619 [0,2,0,0,0,0|2,0,0]=4 14323 B15R1.211 COc1ccc(cc1)N(C)CC(O)CO 34a_100000220023_100011219619 [0,2,0,0,0,0|2,0,0]=4 14324 B15R1.211 COc1ccc(cc1)N(C)C[C@@H](O)CO 2230a_100000220023_100009815848 [0,2,0,0,0,0|2,0,0]=4 14325 B15R1.211 COc1ccc(cc1)N(C)C[C@@H](O)CO 34a_100000220023_100009815848 [0,2,0,0,0,0|2,0,0]=4 14326 B15R1.793 C#Cc1ccc(cc1)NCC(O)COC 34a_100011215031_100011215053 [0,2,0,0,0,0|2,0,0]=4 14327 B15R1.793 C#Cc1ccc(nc1)OCC(O)COC 34a_200009884252_100011215053 [0,2,0,0,0,0|2,0,0]=4 14328 B15R1.793 C=Cc1ccc(cc1)NCC(O)COC 34a_100011218248_100011215053 [0,2,0,0,0,0|2,0,0]=4 14329 B15R1.793 C=Cc1ccc(cc1)OCC(O)COC 34a_100000189437_100011215053 [0,2,0,0,0,0|1,0,0]=3 14330 B15R1.793 C=Cc1ccc(cc1)OCC(O)COC 7a_100000189437_100011215053 [0,2,0,0,0,0|1,0,0]=3 14331 B15R1.793 C=Cc1ccc(cc1)OC[C@@H](O)CC#N 7a_100000189437_100000001066 [0,2,0,0,0,0|2,0,0]=4 14332 B15R1.793 C=Cc1ccc(cc1)SCC(O)COC 62a_100000748128_100011215053 [0,2,0,0,0,0|1,1,0]=4 14333 B15R1.793 C=Cc1ccc(cc1)SCC(O)COC 62a_100011215053_100000748128 [0,2,0,0,0,0|1,1,0]=4 14334 B15R1.793 CCc1ccc(cc1)NCC(O)COC 34a_100000211069_100011215053 [0,2,0,0,0,0|2,0,0]=4 14335 B15R1.793 CCc1ccc(cc1)OCC(O)COC 34a_100000211359_100011215053 [0,2,0,0,0,0|1,0,0]=3 14336 B15R1.793 CCc1ccc(cc1)OCC(O)COC 7a_100000211359_100011215053 [0,2,0,0,0,0|1,0,0]=3 14337 B15R1.793 CCc1ccc(cc1)OC[C@@H](O)CC#N 7a_100000211359_100000001066 [0,2,0,0,0,0|2,0,0]=4 14338 B15R1.793 CCc1ccc(cc1)SCC(O)COC 62a_100011215053_100011215824 [0,2,0,0,0,0|1,1,0]=4 14339 B15R1.793 CCc1ccc(cc1)SCC(O)COC 62a_100011215824_100011215053 [0,2,0,0,0,0|1,1,0]=4 14340 B15R1.793 CNc1ccc(cc1)OCC(O)COC 34a_100000182112_100011215053 [0,2,0,0,0,0|1,0,0]=3 14341 B15R1.793 CNc1ccc(cc1)SCC(O)COC 62a_100000743151_100011215053 [0,2,0,0,0,0|1,1,0]=4 14342 B15R1.793 CNc1ccc(cc1)SCC(O)COC 62a_100011215053_100000743151 [0,2,0,0,0,0|1,1,0]=4 14343 B15R1.793 COCC(O)CNc1ccc(cc1)C#N 34a_100000185469_100011215053 [0,2,0,0,0,0|2,0,0]=4 14344 B15R1.793 COCC(O)CNc1ccc(cc1)CO 34a_100011215238_100011215053 [0,2,0,0,0,0|2,0,0]=4 14345 B15R1.793 COCC(O)CNc1ccc(cc1)OC 34a_100000184247_100011215053 [0,2,0,0,0,0|2,0,0]=4 14346 B15R1.793 COCC(O)CNc1ccc(cc1)SC 34a_100000212337_100011215053 [0,2,0,0,0,0|2,0,0]=4 14347 B15R1.793 COCC(O)COc1ccc(cc1)C#N 34a_100000210344_100011215053 [0,2,0,0,0,0|1,0,0]=3 14348 B15R1.793 COCC(O)COc1ccc(cc1)C#N 7a_100000210344_100011215053 [0,2,0,0,0,0|1,0,0]=3 14349 B15R1.793 COCC(O)COc1ccc(cc1)CN 34a_100000185549_100011215053 [0,2,0,0,0,0|1,0,0]=3 14350 B15R1.793 COCC(O)COc1ccc(cc1)CO 34a_100000211755_100011215053 [0,2,0,0,0,0|1,0,0]=3 14351 B15R1.793 COCC(O)COc1ccc(cc1)OC 34a_100000210503_100011215053 [0,2,0,0,0,0|1,0,0]=3 14352 B15R1.793 COCC(O)COc1ccc(cc1)SC 34a_100000211864_100011215053 [0,2,0,0,0,0|1,0,0]=3 14353 B15R1.793 COCC(O)COc1ccc(cn1)CN 34a_100000757128_100011215053 [0,2,0,0,0,0|2,0,0]=4 14354 B15R1.793 COCC(O)COc1ccc(cn1)OC 34a_100012002028_100011215053 [0,2,0,0,0,0|2,0,0]=4 14355 B15R1.793 COCC(O)COc1ccc(nc1)C#N 34a_100011934750_100011215053 [0,2,0,0,0,0|2,0,0]=4 14356 B15R1.793 COCC(O)COc1ccc(nc1)C#N 7a_100011934750_100011215053 [0,2,0,0,0,0|2,0,0]=4 14357 B15R1.793 COCC(O)COc1ccc(nc1)CN 34a_100020605196_100011215053 [0,2,0,0,0,0|2,0,0]=4 14358 B15R1.793 COCC(O)COc1ccc(nc1)CO 34a_103436540053_100011215053 [0,2,0,0,0,0|2,0,0]=4 14359 B15R1.793 COCC(O)COc1ccc(nc1)OC 34a_100011934560_100011215053 [0,2,0,0,0,0|2,0,0]=4 14360 B15R1.793 COCC(O)CSc1ccc(cc1)C#N 62a_100011215053_100000184291 [0,2,0,0,0,0|1,1,0]=4 14361 B15R1.793 COCC(O)CSc1ccc(cc1)C=O 62a_100000188517_100011215053 [0,2,0,0,0,0|1,1,0]=4 14362 B15R1.793 COCC(O)CSc1ccc(cc1)C=O 62a_100011215053_100000188517 [0,2,0,0,0,0|1,1,0]=4 14363 B15R1.793 COCC(O)CSc1ccc(cc1)CF 62a_100010268989_100011215053 [0,2,0,0,0,0|0,2,0]=4 14364 B15R1.793 COCC(O)CSc1ccc(cc1)CF 62a_100011215053_100010268989 [0,2,0,0,0,0|0,2,0]=4 14365 B15R1.793 COCC(O)CSc1ccc(cc1)CN 62a_100011215053_100016989417 [0,2,0,0,0,0|1,1,0]=4 14366 B15R1.793 COCC(O)CSc1ccc(cc1)CN 62a_100016989417_100011215053 [0,2,0,0,0,0|1,1,0]=4 14367 B15R1.793 COCC(O)CSc1ccc(cc1)CO 62a_100000690907_100011215053 [0,2,0,0,0,0|1,1,0]=4 14368 B15R1.793 COCC(O)CSc1ccc(cc1)CO 62a_100011215053_100000690907 [0,2,0,0,0,0|1,1,0]=4 14369 B15R1.793 COCC(O)CSc1ccc(cc1)NN 62a_100011215053_100016988836 [0,2,0,0,0,0|1,1,0]=4 14370 B15R1.793 COCC(O)CSc1ccc(cc1)NN 62a_100016988836_100011215053 [0,2,0,0,0,0|1,1,0]=4 14371 B15R1.793 COCC(O)CSc1ccc(cc1)OC 62a_100011215053_100000171711 [0,2,0,0,0,0|1,1,0]=4 14372 B15R1.793 COCC(O)CSc1ccc(cc1)SC 62a_100011215053_100011263217 [0,2,0,0,0,0|1,1,0]=4 14373 B15R1.793 COCC(O)CSc1ccc(cc1)SC 62a_100011263217_100011215053 [0,2,0,0,0,0|1,1,0]=4 14374 B15R1.793 N#CC[C@H](O)COc1ccc(cc1)C#N 7a_100000210344_100000001066 [0,2,0,0,0,0|2,0,0]=4 14375 B15R1.956 C=C(C)c1ccc(cc1)OCC(O)CC 34a_100009880102_100011218378 [0,2,0,0,0,0|2,0,0]=4 14376 B15R1.956 C=C(C)c1ccc(cc1)OCC(O)CC 7a_100009880102_100011218378 [0,2,0,0,0,0|2,0,0]=4 14377 B15R1.956 C=C(C)c1ccc(cc1)OCC(O)CO 34a_100009880102_100011219619 [0,2,0,0,0,0|1,0,0]=3 14378 B15R1.956 C=C(C)c1ccc(cc1)OCC(O)CO 7a_100009880102_100011219619 [0,2,0,0,0,0|1,0,0]=3 14379 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](C)CO 34a_100009880102_100000059175 [0,2,0,0,0,0|2,0,0]=4 14380 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](C)CO 7a_100009880102_100000059175 [0,2,0,0,0,0|2,0,0]=4 14381 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](O)CF 34a_100009880102_100015614560 [0,2,0,0,0,0|2,0,0]=4 14382 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](O)CF 7a_100009880102_100015614560 [0,2,0,0,0,0|2,0,0]=4 14383 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](O)CO 34a_100009880102_100009815848 [0,2,0,0,0,0|1,0,0]=3 14384 B15R1.956 C=C(C)c1ccc(cc1)OC[C@@H](O)CO 7a_100009880102_100009815848 [0,2,0,0,0,0|1,0,0]=3 14385 B15R1.956 C=C(C)c1ccc(cc1)SCC(O)CO 62a_100000185454_100011219619 [0,2,0,0,0,0|1,1,0]=4 14386 B15R1.956 C=C(C)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000185454 [0,2,0,0,0,0|1,1,0]=4 14387 B15R1.956 C=C(C)c1ccc(cc1)SC[C@@H](O)CO 62a_100000185454_100009815848 [0,2,0,0,0,0|1,1,0]=4 14388 B15R1.956 C=C(C)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185454 [0,2,0,0,0,0|1,1,0]=4 14389 B15R1.956 CC(=O)c1ccc(cc1)OCC(O)CO 34a_100000185113_100011219619 [0,2,0,0,0,0|1,0,0]=3 14390 B15R1.956 CC(=O)c1ccc(cc1)OCC(O)CO 7a_100000185113_100011219619 [0,2,0,0,0,0|1,0,0]=3 14391 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](C)CO 34a_100000185113_100000059175 [0,2,0,0,0,0|2,0,0]=4 14392 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](C)CO 7a_100000185113_100000059175 [0,2,0,0,0,0|2,0,0]=4 14393 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CF 34a_100000185113_100015614560 [0,2,0,0,0,0|2,0,0]=4 14394 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CF 7a_100000185113_100015614560 [0,2,0,0,0,0|2,0,0]=4 14395 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000185113_100009815848 [0,2,0,0,0,0|1,0,0]=3 14396 B15R1.956 CC(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000185113_100009815848 [0,2,0,0,0,0|1,0,0]=3 14397 B15R1.956 CC(=O)c1ccc(cc1)SCC(O)CO 62a_100000185465_100011219619 [0,2,0,0,0,0|1,1,0]=4 14398 B15R1.956 CC(=O)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000185465 [0,2,0,0,0,0|1,1,0]=4 14399 B15R1.956 CC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100000185465_100009815848 [0,2,0,0,0,0|1,1,0]=4 14400 B15R1.956 CC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185465 [0,2,0,0,0,0|1,1,0]=4 14401 B15R1.956 CC(=O)c1ccc(cn1)OCC(O)CO 34a_100012001710_100011219619 [0,2,0,0,0,0|2,0,0]=4 14402 B15R1.956 CC(=O)c1ccc(cn1)OCC(O)CO 7a_100012001710_100011219619 [0,2,0,0,0,0|2,0,0]=4 14403 B15R1.956 CC(=O)c1ccc(cn1)OC[C@@H](O)CO 34a_100012001710_100009815848 [0,2,0,0,0,0|2,0,0]=4 14404 B15R1.956 CC(=O)c1ccc(cn1)OC[C@@H](O)CO 7a_100012001710_100009815848 [0,2,0,0,0,0|2,0,0]=4 14405 B15R1.956 CC(C)c1ccc(cc1)NCC(O)CO 2230a_100000210773_100011219619 [0,2,0,0,0,0|2,0,0]=4 14406 B15R1.956 CC(C)c1ccc(cc1)NCC(O)CO 34a_100000210773_100011219619 [0,2,0,0,0,0|2,0,0]=4 14407 B15R1.956 CC(C)c1ccc(cc1)NCC(O)CO 7a_100000210773_100011219619 [0,2,0,0,0,0|2,0,0]=4 14408 B15R1.956 CC(C)c1ccc(cc1)NC[C@@H](O)CO 2230a_100000210773_100009815848 [0,2,0,0,0,0|2,0,0]=4 14409 B15R1.956 CC(C)c1ccc(cc1)NC[C@@H](O)CO 34a_100000210773_100009815848 [0,2,0,0,0,0|2,0,0]=4 14410 B15R1.956 CC(C)c1ccc(cc1)NC[C@@H](O)CO 7a_100000210773_100009815848 [0,2,0,0,0,0|2,0,0]=4 14411 B15R1.956 CC(C)c1ccc(cc1)OCC(O)CO 34a_100000181308_100011219619 [0,2,0,0,0,0|1,0,0]=3 14412 B15R1.956 CC(C)c1ccc(cc1)OCC(O)CO 7a_100000181308_100011219619 [0,2,0,0,0,0|1,0,0]=3 14413 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](C)CO 34a_100000181308_100000059175 [0,2,0,0,0,0|2,0,0]=4 14414 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](C)CO 7a_100000181308_100000059175 [0,2,0,0,0,0|2,0,0]=4 14415 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](O)CF 34a_100000181308_100015614560 [0,2,0,0,0,0|2,0,0]=4 14416 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](O)CF 7a_100000181308_100015614560 [0,2,0,0,0,0|2,0,0]=4 14417 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](O)CO 34a_100000181308_100009815848 [0,2,0,0,0,0|1,0,0]=3 14418 B15R1.956 CC(C)c1ccc(cc1)OC[C@@H](O)CO 7a_100000181308_100009815848 [0,2,0,0,0,0|1,0,0]=3 14419 B15R1.956 CC(C)c1ccc(cc1)SCC(O)CO 62a_100000750031_100011219619 [0,2,0,0,0,0|1,1,0]=4 14420 B15R1.956 CC(C)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000750031 [0,2,0,0,0,0|1,1,0]=4 14421 B15R1.956 CC(C)c1ccc(cc1)SC[C@@H](O)CO 62a_100000750031_100009815848 [0,2,0,0,0,0|1,1,0]=4 14422 B15R1.956 CC(C)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000750031 [0,2,0,0,0,0|1,1,0]=4 14423 B15R1.956 CC(O)c1ccc(cc1)NCC(O)CO 2230a_100011216399_100011219619 [0,2,0,0,0,0|2,0,0]=4 14424 B15R1.956 CC(O)c1ccc(cc1)NCC(O)CO 34a_100011216399_100011219619 [0,2,0,0,0,0|2,0,0]=4 14425 B15R1.956 CC(O)c1ccc(cc1)NC[C@@H](O)CO 2230a_100011216399_100009815848 [0,2,0,0,0,0|2,0,0]=4 14426 B15R1.956 CC(O)c1ccc(cc1)NC[C@@H](O)CO 34a_100011216399_100009815848 [0,2,0,0,0,0|2,0,0]=4 14427 B15R1.956 CC(O)c1ccc(cc1)OCC(O)CO 34a_100000754508_100011219619 [0,2,0,0,0,0|1,0,0]=3 14428 B15R1.956 CC(O)c1ccc(cc1)OCC(O)CO 7a_100000754508_100011219619 [0,2,0,0,0,0|1,0,0]=3 14429 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](C)CO 34a_100000754508_100000059175 [0,2,0,0,0,0|2,0,0]=4 14430 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](C)CO 7a_100000754508_100000059175 [0,2,0,0,0,0|2,0,0]=4 14431 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](O)CF 34a_100000754508_100015614560 [0,2,0,0,0,0|2,0,0]=4 14432 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](O)CF 7a_100000754508_100015614560 [0,2,0,0,0,0|2,0,0]=4 14433 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000754508_100009815848 [0,2,0,0,0,0|1,0,0]=3 14434 B15R1.956 CC(O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000754508_100009815848 [0,2,0,0,0,0|1,0,0]=3 14435 B15R1.956 CC(O)c1ccc(cc1)SCC(O)CO 62a_100000745893_100011219619 [0,2,0,0,0,0|1,1,0]=4 14436 B15R1.956 CC(O)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000745893 [0,2,0,0,0,0|1,1,0]=4 14437 B15R1.956 CC(O)c1ccc(cc1)SC[C@@H](O)CO 62a_100000745893_100009815848 [0,2,0,0,0,0|1,1,0]=4 14438 B15R1.956 CC(O)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000745893 [0,2,0,0,0,0|1,1,0]=4 14439 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)C 34a_100000185113_100011218378 [0,2,0,0,0,0|2,0,0]=4 14440 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)C 7a_100000185113_100011218378 [0,2,0,0,0,0|2,0,0]=4 14441 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)N 34a_100000746352_100011218378 [0,2,0,0,0,0|2,0,0]=4 14442 B15R1.956 CCC(O)COc1ccc(cc1)C(=O)N 7a_100000746352_100011218378 [0,2,0,0,0,0|2,0,0]=4 14443 B15R1.956 CCC(O)COc1ccc(cc1)C(C)C 34a_100000181308_100011218378 [0,2,0,0,0,0|2,0,0]=4 14444 B15R1.956 CCC(O)COc1ccc(cc1)C(C)C 7a_100000181308_100011218378 [0,2,0,0,0,0|2,0,0]=4 14445 B15R1.956 CCC(O)COc1ccc(cc1)C(C)O 34a_100000754508_100011218378 [0,2,0,0,0,0|2,0,0]=4 14446 B15R1.956 CCC(O)COc1ccc(cc1)C(C)O 7a_100000754508_100011218378 [0,2,0,0,0,0|2,0,0]=4 14447 B15R1.956 CCC(O)COc1ccc(cc1)N(C)C 34a_100000718910_100011218378 [0,2,0,0,0,0|2,0,0]=4 14448 B15R1.956 CCC(O)COc1ccc(cc1)S(=O)C 34a_200000064373_100011218378 [0,2,0,0,0,0|2,0,0]=4 14449 B15R1.956 CCC(O)COc1ccc(cc1)S(=O)C 7a_200000064373_100011218378 [0,2,0,0,0,0|2,0,0]=4 14450 B15R1.956 CCC(O)COc1ccc(cc1)[C@H](C)N 34a_100161106496_100011218378 [0,2,0,0,0,0|2,0,0]=4 14451 B15R1.956 CCC(O)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011218378 [0,2,0,0,0,0|2,0,0]=4 14452 B15R1.956 CCC(O)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011218378 [0,2,0,0,0,0|2,0,0]=4 14453 B15R1.956 CCC(O)COc1ccc(cc1)[S+](C)C 34a_100010188728_100011218378 [0,2,0,0,0,0|2,0,0]=4 14454 B15R1.956 CCC(O)COc1ccc(cc1)[S+](C)C 7a_100010188728_100011218378 [0,2,0,0,0,0|2,0,0]=4 14455 B15R1.956 CN(C)c1ccc(cc1)NCC(O)CO 34a_100016997997_100011219619 [0,2,0,0,0,0|2,0,0]=4 14456 B15R1.956 CN(C)c1ccc(cc1)NC[C@@H](O)CO 34a_100016997997_100009815848 [0,2,0,0,0,0|2,0,0]=4 14457 B15R1.956 CN(C)c1ccc(cc1)OCC(O)CO 34a_100000718910_100011219619 [0,2,0,0,0,0|1,0,0]=3 14458 B15R1.956 CN(C)c1ccc(cc1)OC[C@@H](O)CF 34a_100000718910_100015614560 [0,2,0,0,0,0|2,0,0]=4 14459 B15R1.956 CN(C)c1ccc(cc1)OC[C@@H](O)CO 34a_100000718910_100009815848 [0,2,0,0,0,0|1,0,0]=3 14460 B15R1.956 CN(C)c1ccc(cc1)SCC(O)CO 62a_100000210421_100011219619 [0,2,0,0,0,0|1,1,0]=4 14461 B15R1.956 CN(C)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000210421 [0,2,0,0,0,0|1,1,0]=4 14462 B15R1.956 CN(C)c1ccc(cc1)SC[C@@H](O)CO 62a_100000210421_100009815848 [0,2,0,0,0,0|1,1,0]=4 14463 B15R1.956 CN(C)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000210421 [0,2,0,0,0,0|1,1,0]=4 14464 B15R1.956 CS(=O)c1ccc(cc1)OCC(O)CO 34a_200000064373_100011219619 [0,2,0,0,0,0|1,0,0]=3 14465 B15R1.956 CS(=O)c1ccc(cc1)OCC(O)CO 7a_200000064373_100011219619 [0,2,0,0,0,0|1,0,0]=3 14466 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CF 34a_200000064373_100015614560 [0,2,0,0,0,0|2,0,0]=4 14467 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CF 7a_200000064373_100015614560 [0,2,0,0,0,0|2,0,0]=4 14468 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_200000064373_100009815848 [0,2,0,0,0,0|1,0,0]=3 14469 B15R1.956 CS(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_200000064373_100009815848 [0,2,0,0,0,0|1,0,0]=3 14470 B15R1.956 CS(=O)c1ccc(cc1)SCC(O)CO 62a_100009816266_100011219619 [0,2,0,0,0,0|1,1,0]=4 14471 B15R1.956 CS(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100009816266_100009815848 [0,2,0,0,0,0|1,1,0]=4 14472 B15R1.956 C[C@@H](CO)COc1ccc(cc1)C(=O)N 34a_100000746352_100000059175 [0,2,0,0,0,0|2,0,0]=4 14473 B15R1.956 C[C@@H](CO)COc1ccc(cc1)C(=O)N 7a_100000746352_100000059175 [0,2,0,0,0,0|2,0,0]=4 14474 B15R1.956 C[C@@H](CO)COc1ccc(cc1)N(C)C 34a_100000718910_100000059175 [0,2,0,0,0,0|2,0,0]=4 14475 B15R1.956 C[C@@H](CO)COc1ccc(cc1)S(=O)C 34a_200000064373_100000059175 [0,2,0,0,0,0|2,0,0]=4 14476 B15R1.956 C[C@@H](CO)COc1ccc(cc1)S(=O)C 7a_200000064373_100000059175 [0,2,0,0,0,0|2,0,0]=4 14477 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[C@H](C)N 34a_100161106496_100000059175 [0,2,0,0,0,0|2,0,0]=4 14478 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000059175 [0,2,0,0,0,0|2,0,0]=4 14479 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000059175 [0,2,0,0,0,0|2,0,0]=4 14480 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[S+](C)C 34a_100010188728_100000059175 [0,2,0,0,0,0|2,0,0]=4 14481 B15R1.956 C[C@@H](CO)COc1ccc(cc1)[S+](C)C 7a_100010188728_100000059175 [0,2,0,0,0,0|2,0,0]=4 14482 B15R1.956 C[C@@H](N)c1ccc(cc1)SCC(O)CO 62a_100000720352_100011219619 [0,2,0,0,0,0|1,1,0]=4 14483 B15R1.956 C[C@@H](N)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000720352 [0,2,0,0,0,0|1,1,0]=4 14484 B15R1.956 C[C@@H](N)c1ccc(cc1)SC[C@@H](O)CO 62a_100000720352_100009815848 [0,2,0,0,0,0|1,1,0]=4 14485 B15R1.956 C[C@@H](N)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000720352 [0,2,0,0,0,0|1,1,0]=4 14486 B15R1.956 C[C@H](N)c1ccc(cc1)OCC(O)CO 34a_100161106496_100011219619 [0,2,0,0,0,0|1,0,0]=3 14487 B15R1.956 C[C@H](N)c1ccc(cc1)OC[C@@H](O)CF 34a_100161106496_100015614560 [0,2,0,0,0,0|2,0,0]=4 14488 B15R1.956 C[C@H](N)c1ccc(cc1)OC[C@@H](O)CO 34a_100161106496_100009815848 [0,2,0,0,0,0|1,0,0]=3 14489 B15R1.956 C[C@H](N)c1ccc(cc1)SCC(O)CO 62a_100000753911_100011219619 [0,2,0,0,0,0|1,1,0]=4 14490 B15R1.956 C[C@H](N)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000753911 [0,2,0,0,0,0|1,1,0]=4 14491 B15R1.956 C[C@H](N)c1ccc(cc1)SC[C@@H](O)CO 62a_100000753911_100009815848 [0,2,0,0,0,0|1,1,0]=4 14492 B15R1.956 C[C@H](N)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000753911 [0,2,0,0,0,0|1,1,0]=4 14493 B15R1.956 C[S+](C)c1ccc(cc1)OCC(O)CO 34a_100010188728_100011219619 [0,2,0,0,0,0|1,0,0]=3 14494 B15R1.956 C[S+](C)c1ccc(cc1)OCC(O)CO 7a_100010188728_100011219619 [0,2,0,0,0,0|1,0,0]=3 14495 B15R1.956 C[S+](C)c1ccc(cc1)OC[C@@H](O)CF 34a_100010188728_100015614560 [0,2,0,0,0,0|2,0,0]=4 14496 B15R1.956 C[S+](C)c1ccc(cc1)OC[C@@H](O)CF 7a_100010188728_100015614560 [0,2,0,0,0,0|2,0,0]=4 14497 B15R1.956 C[S+](C)c1ccc(cc1)OC[C@@H](O)CO 34a_100010188728_100009815848 [0,2,0,0,0,0|1,0,0]=3 14498 B15R1.956 C[S+](C)c1ccc(cc1)OC[C@@H](O)CO 7a_100010188728_100009815848 [0,2,0,0,0,0|1,0,0]=3 14499 B15R1.956 NC(=O)c1ccc(cc1)NCC(O)CO 34a_100000210537_100011219619 [0,2,0,0,0,0|2,0,0]=4 14500 B15R1.956 NC(=O)c1ccc(cc1)NC[C@@H](O)CO 34a_100000210537_100009815848 [0,2,0,0,0,0|2,0,0]=4 14501 B15R1.956 NC(=O)c1ccc(cc1)NC[C@H](O)CO 27a_100020644852_100000162191 [0,2,0,0,0,0|2,0,0]=4 14502 B15R1.956 NC(=O)c1ccc(cc1)OCC(O)CO 34a_100000746352_100011219619 [0,2,0,0,0,0|1,0,0]=3 14503 B15R1.956 NC(=O)c1ccc(cc1)OCC(O)CO 7a_100000746352_100011219619 [0,2,0,0,0,0|1,0,0]=3 14504 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CF 34a_100000746352_100015614560 [0,2,0,0,0,0|2,0,0]=4 14505 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CF 7a_100000746352_100015614560 [0,2,0,0,0,0|2,0,0]=4 14506 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CO 34a_100000746352_100009815848 [0,2,0,0,0,0|1,0,0]=3 14507 B15R1.956 NC(=O)c1ccc(cc1)OC[C@@H](O)CO 7a_100000746352_100009815848 [0,2,0,0,0,0|1,0,0]=3 14508 B15R1.956 NC(=O)c1ccc(cc1)SCC(O)CO 62a_100000162191_100011219619 [0,2,0,0,0,0|1,1,0]=4 14509 B15R1.956 NC(=O)c1ccc(cc1)SCC(O)CO 62a_100011219619_100000162191 [0,2,0,0,0,0|1,1,0]=4 14510 B15R1.956 NC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100000162191_100009815848 [0,2,0,0,0,0|1,1,0]=4 14511 B15R1.956 NC(=O)c1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000162191 [0,2,0,0,0,0|1,1,0]=4 14512 B15R1.956 O=[N+]([O-])c1ccc(cc1)NCC(O)CO 2230a_100015195142_100011219619 [0,2,0,0,0,0|2,0,0]=4 14513 B15R1.956 O=[N+]([O-])c1ccc(cc1)NCC(O)CO 34a_100015195142_100011219619 [0,2,0,0,0,0|2,0,0]=4 14514 B15R1.956 O=[N+]([O-])c1ccc(cc1)NC[C@@H](O)CO 2230a_100015195142_100009815848 [0,2,0,0,0,0|2,0,0]=4 14515 B15R1.956 O=[N+]([O-])c1ccc(cc1)NC[C@@H](O)CO 34a_100015195142_100009815848 [0,2,0,0,0,0|2,0,0]=4 14516 B15R1.956 O=[N+]([O-])c1ccc(cc1)OCC(O)CO 34a_100000185810_100011219619 [0,2,0,0,0,0|1,0,0]=3 14517 B15R1.956 O=[N+]([O-])c1ccc(cc1)OCC(O)CO 7a_100000185810_100011219619 [0,2,0,0,0,0|1,0,0]=3 14518 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CF 34a_100000185810_100015614560 [0,2,0,0,0,0|2,0,0]=4 14519 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CF 7a_100000185810_100015614560 [0,2,0,0,0,0|2,0,0]=4 14520 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CO 34a_100000185810_100009815848 [0,2,0,0,0,0|1,0,0]=3 14521 B15R1.956 O=[N+]([O-])c1ccc(cc1)OC[C@@H](O)CO 7a_100000185810_100009815848 [0,2,0,0,0,0|1,0,0]=3 14522 B15R1.956 O=[N+]([O-])c1ccc(cn1)OCC(O)CO 7a_100000060138_100011219619 [0,2,0,0,0,0|2,0,0]=4 14523 B15R1.956 O=[N+]([O-])c1ccc(cn1)OC[C@@H](O)CO 7a_100000060138_100009815848 [0,2,0,0,0,0|2,0,0]=4 14524 B15R1.956 OCC(O)CNc1ccc(cc1)C(F)F 34a_100020620101_100011219619 [0,2,0,0,0,0|1,1,0]=4 14525 B15R1.956 OCC(O)CNc1ccc(cc1)C(F)F 7a_100020620101_100011219619 [0,2,0,0,0,0|1,1,0]=4 14526 B15R1.956 OCC(O)CSc1ccc(cc1)B(O)O 62a_100000754493_100011219619 [0,2,0,0,0,0|1,1,0]=4 14527 B15R1.956 OCC(O)CSc1ccc(cc1)B(O)O 62a_100011219619_100000754493 [0,2,0,0,0,0|1,1,0]=4 14528 B15R1.956 OCC(O)CSc1ccc(cc1)C(F)F 62a_100000687661_100011219619 [0,2,0,0,0,0|0,2,0]=4 14529 B15R1.956 OCC(O)CSc1ccc(cc1)C(F)F 62a_100011219619_100000687661 [0,2,0,0,0,0|0,2,0]=4 14530 B15R1.956 OC[C@H](O)CNc1ccc(cc1)C(F)F 34a_100020620101_100009815848 [0,2,0,0,0,0|1,1,0]=4 14531 B15R1.956 OC[C@H](O)CNc1ccc(cc1)C(F)F 7a_100020620101_100009815848 [0,2,0,0,0,0|1,1,0]=4 14532 B15R1.956 OC[C@H](O)CSc1ccc(cc1)B(O)O 62a_100000754493_100009815848 [0,2,0,0,0,0|1,1,0]=4 14533 B15R1.956 OC[C@H](O)CSc1ccc(cc1)B(O)O 62a_100009815848_100000754493 [0,2,0,0,0,0|1,1,0]=4 14534 B15R1.956 OC[C@H](O)CSc1ccc(cc1)C(F)F 62a_100000687661_100009815848 [0,2,0,0,0,0|0,2,0]=4 14535 B15R1.956 OC[C@H](O)CSc1ccc(cc1)C(F)F 62a_100009815848_100000687661 [0,2,0,0,0,0|0,2,0]=4 14536 B15R1.1856 CCC(O)COc1ccc(cc1Br)C#N 34a_100011216086_100011218378 [0,2,0,0,0,0|2,0,0]=4 14537 B15R1.1856 CCC(O)COc1ccc(cc1Br)C#N 7a_100011216086_100011218378 [0,2,0,0,0,0|2,0,0]=4 14538 B15R1.1856 CCC(O)COc1ccc(cc1Br)CO 34a_100011191544_100011218378 [0,2,0,0,0,0|2,0,0]=4 14539 B15R1.1856 CCC(O)COc1ccc(cc1Br)CO 7a_100011191544_100011218378 [0,2,0,0,0,0|2,0,0]=4 14540 B15R1.1856 CCC(O)COc1ccc(cc1Br)OC 34a_100000685887_100011218378 [0,2,0,0,0,0|2,0,0]=4 14541 B15R1.1856 CCC(O)COc1ccc(cc1Br)OC 7a_100000685887_100011218378 [0,2,0,0,0,0|2,0,0]=4 14542 B15R1.1856 CCC(O)COc1ccc(cc1C)C#N 34a_100000749339_100011218378 [0,2,0,0,0,0|2,0,0]=4 14543 B15R1.1856 CCC(O)COc1ccc(cc1C)C#N 7a_100000749339_100011218378 [0,2,0,0,0,0|2,0,0]=4 14544 B15R1.1856 CCC(O)COc1ccc(cc1C)CO 34a_100000075815_100011218378 [0,2,0,0,0,0|2,0,0]=4 14545 B15R1.1856 CCC(O)COc1ccc(cc1C)CO 7a_100000075815_100011218378 [0,2,0,0,0,0|2,0,0]=4 14546 B15R1.1856 CCC(O)COc1ccc(cc1C)OC 34a_100012002223_100011218378 [0,2,0,0,0,0|2,0,0]=4 14547 B15R1.1856 CCC(O)COc1ccc(cc1C)OC 7a_100012002223_100011218378 [0,2,0,0,0,0|2,0,0]=4 14548 B15R1.1856 CCC(O)COc1ccc(cc1Cl)C#N 34a_100000205955_100011218378 [0,2,0,0,0,0|2,0,0]=4 14549 B15R1.1856 CCC(O)COc1ccc(cc1Cl)C#N 7a_100000205955_100011218378 [0,2,0,0,0,0|2,0,0]=4 14550 B15R1.1856 CCC(O)COc1ccc(cc1Cl)OC 34a_100000038596_100011218378 [0,2,0,0,0,0|2,0,0]=4 14551 B15R1.1856 CCC(O)COc1ccc(cc1Cl)OC 7a_100000038596_100011218378 [0,2,0,0,0,0|2,0,0]=4 14552 B15R1.1856 CCC(O)COc1ccc(cc1F)C#N 34a_100000751310_100011218378 [0,2,0,0,0,0|2,0,0]=4 14553 B15R1.1856 CCC(O)COc1ccc(cc1F)C#N 7a_100000751310_100011218378 [0,2,0,0,0,0|2,0,0]=4 14554 B15R1.1856 CCC(O)COc1ccc(cc1F)CN 34a_100000758358_100011218378 [0,2,0,0,0,0|2,0,0]=4 14555 B15R1.1856 CCC(O)COc1ccc(cc1F)OC 34a_100000036999_100011218378 [0,2,0,0,0,0|2,0,0]=4 14556 B15R1.1856 CCC(O)COc1ccc(cc1F)OC 7a_100000036999_100011218378 [0,2,0,0,0,0|2,0,0]=4 14557 B15R1.1856 CCC(O)COc1ccc(cc1I)C#N 34a_100000725478_100011218378 [0,2,0,0,0,0|2,0,0]=4 14558 B15R1.1856 CCC(O)COc1ccc(cc1I)C#N 7a_100000725478_100011218378 [0,2,0,0,0,0|2,0,0]=4 14559 B15R1.1856 CCC(O)COc1ccc(cc1N)C#N 34a_100000766272_100011218378 [0,2,0,0,0,0|2,0,0]=4 14560 B15R1.1856 CCC(O)COc1ccc(cc1N)C#N 7a_100000766272_100011218378 [0,2,0,0,0,0|2,0,0]=4 14561 B15R1.1856 CCC(O)COc1ccc(cc1N)CO 34a_100000123545_100011218378 [0,2,0,0,0,0|2,0,0]=4 14562 B15R1.1856 CCC(O)COc1ccc(cc1N)OC 34a_100000188146_100011218378 [0,2,0,0,0,0|2,0,0]=4 14563 B15R1.1856 CCC(O)COc1coc(cc1=O)CCl 34a_100000010605_100011218378 [0,2,0,0,0,0|2,0,0]=4 14564 B15R1.1856 CCc1ccc(c(c1)Br)NCC(O)CO 2230a_100012339725_100011219619 [0,2,0,0,0,0|2,0,0]=4 14565 B15R1.1856 CCc1ccc(c(c1)Br)NCC(O)CO 34a_100012339725_100011219619 [0,2,0,0,0,0|2,0,0]=4 14566 B15R1.1856 CCc1ccc(c(c1)Br)NC[C@@H](O)CO 2230a_100012339725_100009815848 [0,2,0,0,0,0|2,0,0]=4 14567 B15R1.1856 CCc1ccc(c(c1)Br)NC[C@@H](O)CO 34a_100012339725_100009815848 [0,2,0,0,0,0|2,0,0]=4 14568 B15R1.1856 CCc1ccc(c(c1)Br)OCC(O)CC 34a_100012339963_100011218378 [0,2,0,0,0,0|2,0,0]=4 14569 B15R1.1856 CCc1ccc(c(c1)Br)OCC(O)CC 7a_100012339963_100011218378 [0,2,0,0,0,0|2,0,0]=4 14570 B15R1.1856 CCc1ccc(c(c1)Br)OCC(O)CO 34a_100012339963_100011219619 [0,2,0,0,0,0|1,0,0]=3 14571 B15R1.1856 CCc1ccc(c(c1)Br)OCC(O)CO 7a_100012339963_100011219619 [0,2,0,0,0,0|1,0,0]=3 14572 B15R1.1856 CCc1ccc(c(c1)Br)OC[C@@H](C)CO 34a_100012339963_100000059175 [0,2,0,0,0,0|2,0,0]=4 14573 B15R1.1856 CCc1ccc(c(c1)Br)OC[C@@H](C)CO 7a_100012339963_100000059175 [0,2,0,0,0,0|2,0,0]=4 14574 B15R1.1856 CCc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100012339963_100015614560 [0,2,0,0,0,0|2,0,0]=4 14575 B15R1.1856 CCc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100012339963_100015614560 [0,2,0,0,0,0|2,0,0]=4 14576 B15R1.1856 CCc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100012339963_100009815848 [0,2,0,0,0,0|1,0,0]=3 14577 B15R1.1856 CCc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100012339963_100009815848 [0,2,0,0,0,0|1,0,0]=3 14578 B15R1.1856 CCc1ccc(c(c1)Br)SCC(O)CO 62a_100011219619_200009997437 [0,2,0,0,0,0|1,1,0]=4 14579 B15R1.1856 CCc1ccc(c(c1)Br)SCC(O)CO 62a_200009997437_100011219619 [0,2,0,0,0,0|1,1,0]=4 14580 B15R1.1856 CCc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009815848_200009997437 [0,2,0,0,0,0|1,1,0]=4 14581 B15R1.1856 CCc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_200009997437_100009815848 [0,2,0,0,0,0|1,1,0]=4 14582 B15R1.1856 CCc1ccc(c(c1)C)NCC(O)CO 2230a_100011226020_100011219619 [0,2,0,0,0,0|2,0,0]=4 14583 B15R1.1856 CCc1ccc(c(c1)C)NCC(O)CO 34a_100011226020_100011219619 [0,2,0,0,0,0|2,0,0]=4 14584 B15R1.1856 CCc1ccc(c(c1)C)NCC(O)CO 7a_100011226020_100011219619 [0,2,0,0,0,0|2,0,0]=4 14585 B15R1.1856 CCc1ccc(c(c1)C)NC[C@@H](O)CO 2230a_100011226020_100009815848 [0,2,0,0,0,0|2,0,0]=4 14586 B15R1.1856 CCc1ccc(c(c1)C)NC[C@@H](O)CO 34a_100011226020_100009815848 [0,2,0,0,0,0|2,0,0]=4 14587 B15R1.1856 CCc1ccc(c(c1)C)NC[C@@H](O)CO 7a_100011226020_100009815848 [0,2,0,0,0,0|2,0,0]=4 14588 B15R1.1856 CCc1ccc(c(c1)F)NCC(O)CO 2230a_100016177294_100011219619 [0,2,0,0,0,0|2,0,0]=4 14589 B15R1.1856 CCc1ccc(c(c1)F)NCC(O)CO 34a_100016177294_100011219619 [0,2,0,0,0,0|2,0,0]=4 14590 B15R1.1856 CCc1ccc(c(c1)F)NC[C@@H](O)CO 2230a_100016177294_100009815848 [0,2,0,0,0,0|2,0,0]=4 14591 B15R1.1856 CCc1ccc(c(c1)F)NC[C@@H](O)CO 34a_100016177294_100009815848 [0,2,0,0,0,0|2,0,0]=4 14592 B15R1.1856 CCc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_200010339503 [0,2,0,0,0,0|1,1,0]=4 14593 B15R1.1856 CCc1ccc(c(c1)F)SCC(O)CO 62a_200010339503_100011219619 [0,2,0,0,0,0|1,1,0]=4 14594 B15R1.1856 CCc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_200010339503 [0,2,0,0,0,0|1,1,0]=4 14595 B15R1.1856 CCc1ccc(c(c1)F)SC[C@@H](O)CO 62a_200010339503_100009815848 [0,2,0,0,0,0|1,1,0]=4 14596 B15R1.1856 CCc1ccc(c(c1)N)OCC(O)CC 34a_100000765835_100011218378 [0,2,0,0,0,0|2,0,0]=4 14597 B15R1.1856 CCc1ccc(c(c1)N)OCC(O)CC 7a_100000765835_100011218378 [0,2,0,0,0,0|2,0,0]=4 14598 B15R1.1856 CCc1ccc(c(c1)N)OCC(O)CO 34a_100000765835_100011219619 [0,2,0,0,0,0|1,0,0]=3 14599 B15R1.1856 CCc1ccc(c(c1)N)OCC(O)CO 7a_100000765835_100011219619 [0,2,0,0,0,0|1,0,0]=3 14600 B15R1.1856 CCc1ccc(c(c1)N)OC[C@@H](C)CO 34a_100000765835_100000059175 [0,2,0,0,0,0|2,0,0]=4 14601 B15R1.1856 CCc1ccc(c(c1)N)OC[C@@H](C)CO 7a_100000765835_100000059175 [0,2,0,0,0,0|2,0,0]=4 14602 B15R1.1856 CCc1ccc(c(c1)N)OC[C@@H](O)CF 34a_100000765835_100015614560 [0,2,0,0,0,0|2,0,0]=4 14603 B15R1.1856 CCc1ccc(c(c1)N)OC[C@@H](O)CF 7a_100000765835_100015614560 [0,2,0,0,0,0|2,0,0]=4 14604 B15R1.1856 CCc1ccc(c(c1)N)OC[C@@H](O)CO 34a_100000765835_100009815848 [0,2,0,0,0,0|1,0,0]=3 14605 B15R1.1856 CCc1ccc(c(c1)N)OC[C@@H](O)CO 7a_100000765835_100009815848 [0,2,0,0,0,0|1,0,0]=3 14606 B15R1.1856 CCc1ccc(c(c1)O)NCC(O)CO 34a_100000124328_100011219619 [0,2,0,0,0,0|2,0,0]=4 14607 B15R1.1856 CCc1ccc(c(c1)O)NC[C@@H](O)CO 34a_100000124328_100009815848 [0,2,0,0,0,0|2,0,0]=4 14608 B15R1.1856 CNc1ccc(c(c1)C)SCC(O)CO 62a_100011219619_100102888905 [0,2,0,0,0,0|1,1,0]=4 14609 B15R1.1856 CNc1ccc(c(c1)C)SCC(O)CO 62a_100102888905_100011219619 [0,2,0,0,0,0|1,1,0]=4 14610 B15R1.1856 CNc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100009815848_100102888905 [0,2,0,0,0,0|1,1,0]=4 14611 B15R1.1856 CNc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100102888905_100009815848 [0,2,0,0,0,0|1,1,0]=4 14612 B15R1.1856 CNc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100012285320 [0,2,0,0,0,0|1,1,0]=4 14613 B15R1.1856 CNc1ccc(c(c1)F)SCC(O)CO 62a_100012285320_100011219619 [0,2,0,0,0,0|1,1,0]=4 14614 B15R1.1856 CNc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100012285320 [0,2,0,0,0,0|1,1,0]=4 14615 B15R1.1856 CNc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100012285320_100009815848 [0,2,0,0,0,0|1,1,0]=4 14616 B15R1.1856 COc1ccc(c(c1)Br)NCC(O)CO 34a_100015195136_100011219619 [0,2,0,0,0,0|2,0,0]=4 14617 B15R1.1856 COc1ccc(c(c1)Br)NC[C@@H](O)CO 34a_100015195136_100009815848 [0,2,0,0,0,0|2,0,0]=4 14618 B15R1.1856 COc1ccc(c(c1)Br)OCC(O)CO 34a_100000685887_100011219619 [0,2,0,0,0,0|1,0,0]=3 14619 B15R1.1856 COc1ccc(c(c1)Br)OCC(O)CO 7a_100000685887_100011219619 [0,2,0,0,0,0|1,0,0]=3 14620 B15R1.1856 COc1ccc(c(c1)Br)OC[C@@H](C)CO 34a_100000685887_100000059175 [0,2,0,0,0,0|2,0,0]=4 14621 B15R1.1856 COc1ccc(c(c1)Br)OC[C@@H](C)CO 7a_100000685887_100000059175 [0,2,0,0,0,0|2,0,0]=4 14622 B15R1.1856 COc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100000685887_100015614560 [0,2,0,0,0,0|2,0,0]=4 14623 B15R1.1856 COc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100000685887_100015614560 [0,2,0,0,0,0|2,0,0]=4 14624 B15R1.1856 COc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100000685887_100009815848 [0,2,0,0,0,0|1,0,0]=3 14625 B15R1.1856 COc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100000685887_100009815848 [0,2,0,0,0,0|1,0,0]=3 14626 B15R1.1856 COc1ccc(c(c1)Br)SCC(O)CO 62a_100011219619_100012349170 [0,2,0,0,0,0|1,1,0]=4 14627 B15R1.1856 COc1ccc(c(c1)Br)SCC(O)CO 62a_100012349170_100011219619 [0,2,0,0,0,0|1,1,0]=4 14628 B15R1.1856 COc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009815848_100012349170 [0,2,0,0,0,0|1,1,0]=4 14629 B15R1.1856 COc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100012349170_100009815848 [0,2,0,0,0,0|1,1,0]=4 14630 B15R1.1856 COc1ccc(c(c1)C)NCC(O)CO 34a_100000750285_100011219619 [0,2,0,0,0,0|2,0,0]=4 14631 B15R1.1856 COc1ccc(c(c1)C)NC[C@@H](O)CO 34a_100000750285_100009815848 [0,2,0,0,0,0|2,0,0]=4 14632 B15R1.1856 COc1ccc(c(c1)C)OCC(O)CO 34a_100012002223_100011219619 [0,2,0,0,0,0|1,0,0]=3 14633 B15R1.1856 COc1ccc(c(c1)C)OCC(O)CO 7a_100012002223_100011219619 [0,2,0,0,0,0|1,0,0]=3 14634 B15R1.1856 COc1ccc(c(c1)C)OC[C@@H](C)CO 34a_100012002223_100000059175 [0,2,0,0,0,0|2,0,0]=4 14635 B15R1.1856 COc1ccc(c(c1)C)OC[C@@H](C)CO 7a_100012002223_100000059175 [0,2,0,0,0,0|2,0,0]=4 14636 B15R1.1856 COc1ccc(c(c1)C)OC[C@@H](O)CF 34a_100012002223_100015614560 [0,2,0,0,0,0|2,0,0]=4 14637 B15R1.1856 COc1ccc(c(c1)C)OC[C@@H](O)CF 7a_100012002223_100015614560 [0,2,0,0,0,0|2,0,0]=4 14638 B15R1.1856 COc1ccc(c(c1)C)OC[C@@H](O)CO 34a_100012002223_100009815848 [0,2,0,0,0,0|1,0,0]=3 14639 B15R1.1856 COc1ccc(c(c1)C)OC[C@@H](O)CO 7a_100012002223_100009815848 [0,2,0,0,0,0|1,0,0]=3 14640 B15R1.1856 COc1ccc(c(c1)C)SCC(O)CO 62a_100000759875_100011219619 [0,2,0,0,0,0|1,1,0]=4 14641 B15R1.1856 COc1ccc(c(c1)C)SCC(O)CO 62a_100011219619_100000759875 [0,2,0,0,0,0|1,1,0]=4 14642 B15R1.1856 COc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100000759875_100009815848 [0,2,0,0,0,0|1,1,0]=4 14643 B15R1.1856 COc1ccc(c(c1)C)SC[C@@H](O)CO 62a_100009815848_100000759875 [0,2,0,0,0,0|1,1,0]=4 14644 B15R1.1856 COc1ccc(c(c1)Cl)NCC(O)CO 34a_100000747055_100011219619 [0,2,0,0,0,0|2,0,0]=4 14645 B15R1.1856 COc1ccc(c(c1)Cl)NC[C@@H](O)CO 34a_100000747055_100009815848 [0,2,0,0,0,0|2,0,0]=4 14646 B15R1.1856 COc1ccc(c(c1)Cl)OCC(O)CO 34a_100000038596_100011219619 [0,2,0,0,0,0|1,0,0]=3 14647 B15R1.1856 COc1ccc(c(c1)Cl)OCC(O)CO 7a_100000038596_100011219619 [0,2,0,0,0,0|1,0,0]=3 14648 B15R1.1856 COc1ccc(c(c1)Cl)OC[C@@H](C)CO 34a_100000038596_100000059175 [0,2,0,0,0,0|2,0,0]=4 14649 B15R1.1856 COc1ccc(c(c1)Cl)OC[C@@H](C)CO 7a_100000038596_100000059175 [0,2,0,0,0,0|2,0,0]=4 14650 B15R1.1856 COc1ccc(c(c1)Cl)OC[C@@H](O)CF 34a_100000038596_100015614560 [0,2,0,0,0,0|2,0,0]=4 14651 B15R1.1856 COc1ccc(c(c1)Cl)OC[C@@H](O)CF 7a_100000038596_100015614560 [0,2,0,0,0,0|2,0,0]=4 14652 B15R1.1856 COc1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000038596_100009815848 [0,2,0,0,0,0|1,0,0]=3 14653 B15R1.1856 COc1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000038596_100009815848 [0,2,0,0,0,0|1,0,0]=3 14654 B15R1.1856 COc1ccc(c(c1)F)NCC(O)CO 34a_100011299463_100011219619 [0,2,0,0,0,0|2,0,0]=4 14655 B15R1.1856 COc1ccc(c(c1)F)NC[C@@H](O)CO 34a_100011299463_100009815848 [0,2,0,0,0,0|2,0,0]=4 14656 B15R1.1856 COc1ccc(c(c1)F)OCC(O)CO 34a_100000036999_100011219619 [0,2,0,0,0,0|1,0,0]=3 14657 B15R1.1856 COc1ccc(c(c1)F)OCC(O)CO 7a_100000036999_100011219619 [0,2,0,0,0,0|1,0,0]=3 14658 B15R1.1856 COc1ccc(c(c1)F)OC[C@@H](C)CO 34a_100000036999_100000059175 [0,2,0,0,0,0|2,0,0]=4 14659 B15R1.1856 COc1ccc(c(c1)F)OC[C@@H](C)CO 7a_100000036999_100000059175 [0,2,0,0,0,0|2,0,0]=4 14660 B15R1.1856 COc1ccc(c(c1)F)OC[C@@H](O)CF 34a_100000036999_100015614560 [0,2,0,0,0,0|2,0,0]=4 14661 B15R1.1856 COc1ccc(c(c1)F)OC[C@@H](O)CF 7a_100000036999_100015614560 [0,2,0,0,0,0|2,0,0]=4 14662 B15R1.1856 COc1ccc(c(c1)F)OC[C@@H](O)CO 34a_100000036999_100009815848 [0,2,0,0,0,0|1,0,0]=3 14663 B15R1.1856 COc1ccc(c(c1)F)OC[C@@H](O)CO 7a_100000036999_100009815848 [0,2,0,0,0,0|1,0,0]=3 14664 B15R1.1856 COc1ccc(c(c1)F)SCC(O)CO 62a_100000753793_100011219619 [0,2,0,0,0,0|1,1,0]=4 14665 B15R1.1856 COc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100000753793 [0,2,0,0,0,0|1,1,0]=4 14666 B15R1.1856 COc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100000753793_100009815848 [0,2,0,0,0,0|1,1,0]=4 14667 B15R1.1856 COc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100000753793 [0,2,0,0,0,0|1,1,0]=4 14668 B15R1.1856 COc1ccc(c(c1)I)NCC(O)CO 34a_100000049804_100011219619 [0,2,0,0,0,0|2,0,0]=4 14669 B15R1.1856 COc1ccc(c(c1)I)NC[C@@H](O)CO 34a_100000049804_100009815848 [0,2,0,0,0,0|2,0,0]=4 14670 B15R1.1856 COc1ccc(c(c1)N)OCC(O)CO 34a_100000188146_100011219619 [0,2,0,0,0,0|1,0,0]=3 14671 B15R1.1856 COc1ccc(c(c1)N)OC[C@@H](C)CO 34a_100000188146_100000059175 [0,2,0,0,0,0|2,0,0]=4 14672 B15R1.1856 COc1ccc(c(c1)N)OC[C@@H](O)CF 34a_100000188146_100015614560 [0,2,0,0,0,0|2,0,0]=4 14673 B15R1.1856 COc1ccc(c(c1)N)OC[C@@H](O)CO 34a_100000188146_100009815848 [0,2,0,0,0,0|1,0,0]=3 14674 B15R1.1856 COc1ccc(c(c1)N)SCC(O)CO 62a_100000748021_100011219619 [0,2,0,0,0,0|1,1,0]=4 14675 B15R1.1856 COc1ccc(c(c1)N)SCC(O)CO 62a_100011219619_100000748021 [0,2,0,0,0,0|1,1,0]=4 14676 B15R1.1856 COc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100000748021_100009815848 [0,2,0,0,0,0|1,1,0]=4 14677 B15R1.1856 COc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_100000748021 [0,2,0,0,0,0|1,1,0]=4 14678 B15R1.1856 COc1ccc(c(c1)O)NCC(O)CO 34a_100016989039_100011219619 [0,2,0,0,0,0|2,0,0]=4 14679 B15R1.1856 COc1ccc(c(c1)O)NC[C@@H](O)CO 34a_100016989039_100009815848 [0,2,0,0,0,0|2,0,0]=4 14680 B15R1.1856 COc1ccc(c(c1)O)SCC(O)CO 62a_100011219619_100000719091 [0,2,0,0,0,0|1,1,0]=4 14681 B15R1.1856 COc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100000719091 [0,2,0,0,0,0|1,1,0]=4 14682 B15R1.1856 COc1ccc(c(n1)C)OCC(O)CO 34a_200009873766_100011219619 [0,2,0,0,0,0|2,0,0]=4 14683 B15R1.1856 COc1ccc(c(n1)C)OC[C@@H](O)CO 34a_200009873766_100009815848 [0,2,0,0,0,0|2,0,0]=4 14684 B15R1.1856 CSc1ccc(c(c1)F)NCC(O)CO 34a_100012056844_100011219619 [0,2,0,0,0,0|2,0,0]=4 14685 B15R1.1856 CSc1ccc(c(c1)F)NC[C@@H](O)CO 34a_100012056844_100009815848 [0,2,0,0,0,0|2,0,0]=4 14686 B15R1.1856 CSc1ccc(c(c1)F)SCC(O)CO 62a_100009816902_100011219619 [0,2,0,0,0,0|1,1,0]=4 14687 B15R1.1856 CSc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100009816902 [0,2,0,0,0,0|1,1,0]=4 14688 B15R1.1856 CSc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100009816902 [0,2,0,0,0,0|1,1,0]=4 14689 B15R1.1856 CSc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009816902_100009815848 [0,2,0,0,0,0|1,1,0]=4 14690 B15R1.1856 C[C@@H](CO)COc1ccc(cc1Br)C#N 34a_100011216086_100000059175 [0,2,0,0,0,0|2,0,0]=4 14691 B15R1.1856 C[C@@H](CO)COc1ccc(cc1Br)C#N 7a_100011216086_100000059175 [0,2,0,0,0,0|2,0,0]=4 14692 B15R1.1856 C[C@@H](CO)COc1ccc(cc1Br)CO 34a_100011191544_100000059175 [0,2,0,0,0,0|2,0,0]=4 14693 B15R1.1856 C[C@@H](CO)COc1ccc(cc1Br)CO 7a_100011191544_100000059175 [0,2,0,0,0,0|2,0,0]=4 14694 B15R1.1856 C[C@@H](CO)COc1ccc(cc1Cl)C#N 34a_100000205955_100000059175 [0,2,0,0,0,0|2,0,0]=4 14695 B15R1.1856 C[C@@H](CO)COc1ccc(cc1Cl)C#N 7a_100000205955_100000059175 [0,2,0,0,0,0|2,0,0]=4 14696 B15R1.1856 C[C@@H](CO)COc1ccc(cc1F)C#N 34a_100000751310_100000059175 [0,2,0,0,0,0|2,0,0]=4 14697 B15R1.1856 C[C@@H](CO)COc1ccc(cc1F)C#N 7a_100000751310_100000059175 [0,2,0,0,0,0|2,0,0]=4 14698 B15R1.1856 C[C@@H](CO)COc1ccc(cc1F)CN 34a_100000758358_100000059175 [0,2,0,0,0,0|2,0,0]=4 14699 B15R1.1856 C[C@@H](CO)COc1ccc(cc1I)C#N 34a_100000725478_100000059175 [0,2,0,0,0,0|2,0,0]=4 14700 B15R1.1856 C[C@@H](CO)COc1ccc(cc1I)C#N 7a_100000725478_100000059175 [0,2,0,0,0,0|2,0,0]=4 14701 B15R1.1856 C[C@@H](CO)COc1ccc(cc1N)C#N 34a_100000766272_100000059175 [0,2,0,0,0,0|2,0,0]=4 14702 B15R1.1856 C[C@@H](CO)COc1ccc(cc1N)C#N 7a_100000766272_100000059175 [0,2,0,0,0,0|2,0,0]=4 14703 B15R1.1856 C[C@@H](CO)COc1ccc(cc1N)CO 34a_100000123545_100000059175 [0,2,0,0,0,0|2,0,0]=4 14704 B15R1.1856 C[C@@H](CO)COc1coc(cc1=O)CCl 34a_100000010605_100000059175 [0,2,0,0,0,0|2,0,0]=4 14705 B15R1.1856 Cc1cc(ccc1NCC(O)CO)C#N 34a_100011216260_100011219619 [0,2,0,0,0,0|2,0,0]=4 14706 B15R1.1856 Cc1cc(ccc1NCC(O)CO)C#N 7a_100011216260_100011219619 [0,2,0,0,0,0|2,0,0]=4 14707 B15R1.1856 Cc1cc(ccc1NCC(O)CO)CO 2230a_200011997030_100011219619 [0,2,0,0,0,0|2,0,0]=4 14708 B15R1.1856 Cc1cc(ccc1NCC(O)CO)CO 34a_200011997030_100011219619 [0,2,0,0,0,0|2,0,0]=4 14709 B15R1.1856 Cc1cc(ccc1NC[C@@H](O)CO)C#N 34a_100011216260_100009815848 [0,2,0,0,0,0|2,0,0]=4 14710 B15R1.1856 Cc1cc(ccc1NC[C@@H](O)CO)C#N 7a_100011216260_100009815848 [0,2,0,0,0,0|2,0,0]=4 14711 B15R1.1856 Cc1cc(ccc1NC[C@@H](O)CO)CO 2230a_200011997030_100009815848 [0,2,0,0,0,0|2,0,0]=4 14712 B15R1.1856 Cc1cc(ccc1NC[C@@H](O)CO)CO 34a_200011997030_100009815848 [0,2,0,0,0,0|2,0,0]=4 14713 B15R1.1856 Cc1cc(ccc1OCC(O)CO)C#N 34a_100000749339_100011219619 [0,2,0,0,0,0|1,0,0]=3 14714 B15R1.1856 Cc1cc(ccc1OCC(O)CO)C#N 7a_100000749339_100011219619 [0,2,0,0,0,0|1,0,0]=3 14715 B15R1.1856 Cc1cc(ccc1OCC(O)CO)CO 34a_100000075815_100011219619 [0,2,0,0,0,0|1,0,0]=3 14716 B15R1.1856 Cc1cc(ccc1OCC(O)CO)CO 7a_100000075815_100011219619 [0,2,0,0,0,0|1,0,0]=3 14717 B15R1.1856 Cc1cc(ccc1OC[C@@H](C)CO)C#N 34a_100000749339_100000059175 [0,2,0,0,0,0|2,0,0]=4 14718 B15R1.1856 Cc1cc(ccc1OC[C@@H](C)CO)C#N 7a_100000749339_100000059175 [0,2,0,0,0,0|2,0,0]=4 14719 B15R1.1856 Cc1cc(ccc1OC[C@@H](C)CO)CO 34a_100000075815_100000059175 [0,2,0,0,0,0|2,0,0]=4 14720 B15R1.1856 Cc1cc(ccc1OC[C@@H](C)CO)CO 7a_100000075815_100000059175 [0,2,0,0,0,0|2,0,0]=4 14721 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CF)C#N 34a_100000749339_100015614560 [0,2,0,0,0,0|2,0,0]=4 14722 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CF)C#N 7a_100000749339_100015614560 [0,2,0,0,0,0|2,0,0]=4 14723 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CF)CO 34a_100000075815_100015614560 [0,2,0,0,0,0|2,0,0]=4 14724 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CF)CO 7a_100000075815_100015614560 [0,2,0,0,0,0|2,0,0]=4 14725 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CO)C#N 34a_100000749339_100009815848 [0,2,0,0,0,0|1,0,0]=3 14726 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CO)C#N 7a_100000749339_100009815848 [0,2,0,0,0,0|1,0,0]=3 14727 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CO)CO 34a_100000075815_100009815848 [0,2,0,0,0,0|1,0,0]=3 14728 B15R1.1856 Cc1cc(ccc1OC[C@@H](O)CO)CO 7a_100000075815_100009815848 [0,2,0,0,0,0|1,0,0]=3 14729 B15R1.1856 Cc1cc(ccc1SCC(O)CO)C#N 62a_100011219619_100000212329 [0,2,0,0,0,0|1,1,0]=4 14730 B15R1.1856 Cc1cc(ccc1SCC(O)CO)C=O 62a_100000765772_100011219619 [0,2,0,0,0,0|1,1,0]=4 14731 B15R1.1856 Cc1cc(ccc1SCC(O)CO)C=O 62a_100011219619_100000765772 [0,2,0,0,0,0|1,1,0]=4 14732 B15R1.1856 Cc1cc(ccc1SCC(O)CO)CN 62a_100011219619_100015205234 [0,2,0,0,0,0|1,1,0]=4 14733 B15R1.1856 Cc1cc(ccc1SCC(O)CO)CN 62a_100015205234_100011219619 [0,2,0,0,0,0|1,1,0]=4 14734 B15R1.1856 Cc1cc(ccc1SCC(O)CO)CO 62a_100000718852_100011219619 [0,2,0,0,0,0|1,1,0]=4 14735 B15R1.1856 Cc1cc(ccc1SCC(O)CO)CO 62a_100011219619_100000718852 [0,2,0,0,0,0|1,1,0]=4 14736 B15R1.1856 Cc1cc(ccc1SCC(O)CO)NN 62a_100000745493_100011219619 [0,2,0,0,0,0|1,1,0]=4 14737 B15R1.1856 Cc1cc(ccc1SCC(O)CO)NN 62a_100011219619_100000745493 [0,2,0,0,0,0|1,1,0]=4 14738 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)C#N 62a_100009815848_100000212329 [0,2,0,0,0,0|1,1,0]=4 14739 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)C=O 62a_100000765772_100009815848 [0,2,0,0,0,0|1,1,0]=4 14740 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)C=O 62a_100009815848_100000765772 [0,2,0,0,0,0|1,1,0]=4 14741 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)CN 62a_100009815848_100015205234 [0,2,0,0,0,0|1,1,0]=4 14742 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)CN 62a_100015205234_100009815848 [0,2,0,0,0,0|1,1,0]=4 14743 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)CO 62a_100000718852_100009815848 [0,2,0,0,0,0|1,1,0]=4 14744 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)CO 62a_100009815848_100000718852 [0,2,0,0,0,0|1,1,0]=4 14745 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)NN 62a_100000745493_100009815848 [0,2,0,0,0,0|1,1,0]=4 14746 B15R1.1856 Cc1cc(ccc1SC[C@@H](O)CO)NN 62a_100009815848_100000745493 [0,2,0,0,0,0|1,1,0]=4 14747 B15R1.1856 N#Cc1ccc(c(c1)Br)NCC(O)CO 34a_100000736769_100011219619 [0,2,0,0,0,0|2,0,0]=4 14748 B15R1.1856 N#Cc1ccc(c(c1)Br)NCC(O)CO 7a_100000736769_100011219619 [0,2,0,0,0,0|2,0,0]=4 14749 B15R1.1856 N#Cc1ccc(c(c1)Br)NC[C@@H](O)CO 34a_100000736769_100009815848 [0,2,0,0,0,0|2,0,0]=4 14750 B15R1.1856 N#Cc1ccc(c(c1)Br)NC[C@@H](O)CO 7a_100000736769_100009815848 [0,2,0,0,0,0|2,0,0]=4 14751 B15R1.1856 N#Cc1ccc(c(c1)Br)OCC(O)CO 34a_100011216086_100011219619 [0,2,0,0,0,0|1,0,0]=3 14752 B15R1.1856 N#Cc1ccc(c(c1)Br)OCC(O)CO 7a_100011216086_100011219619 [0,2,0,0,0,0|1,0,0]=3 14753 B15R1.1856 N#Cc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100011216086_100015614560 [0,2,0,0,0,0|2,0,0]=4 14754 B15R1.1856 N#Cc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100011216086_100015614560 [0,2,0,0,0,0|2,0,0]=4 14755 B15R1.1856 N#Cc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100011216086_100009815848 [0,2,0,0,0,0|1,0,0]=3 14756 B15R1.1856 N#Cc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100011216086_100009815848 [0,2,0,0,0,0|1,0,0]=3 14757 B15R1.1856 N#Cc1ccc(c(c1)Br)SCC(O)CO 62a_100011219619_100012356348 [0,2,0,0,0,0|1,1,0]=4 14758 B15R1.1856 N#Cc1ccc(c(c1)Br)SC[C@@H](O)CO 62a_100009815848_100012356348 [0,2,0,0,0,0|1,1,0]=4 14759 B15R1.1856 N#Cc1ccc(c(c1)Cl)NCC(O)CO 34a_100000690208_100011219619 [0,2,0,0,0,0|2,0,0]=4 14760 B15R1.1856 N#Cc1ccc(c(c1)Cl)NCC(O)CO 7a_100000690208_100011219619 [0,2,0,0,0,0|2,0,0]=4 14761 B15R1.1856 N#Cc1ccc(c(c1)Cl)NC[C@@H](O)CO 34a_100000690208_100009815848 [0,2,0,0,0,0|2,0,0]=4 14762 B15R1.1856 N#Cc1ccc(c(c1)Cl)NC[C@@H](O)CO 7a_100000690208_100009815848 [0,2,0,0,0,0|2,0,0]=4 14763 B15R1.1856 N#Cc1ccc(c(c1)Cl)OCC(O)CO 34a_100000205955_100011219619 [0,2,0,0,0,0|1,0,0]=3 14764 B15R1.1856 N#Cc1ccc(c(c1)Cl)OCC(O)CO 7a_100000205955_100011219619 [0,2,0,0,0,0|1,0,0]=3 14765 B15R1.1856 N#Cc1ccc(c(c1)Cl)OC[C@@H](O)CF 34a_100000205955_100015614560 [0,2,0,0,0,0|2,0,0]=4 14766 B15R1.1856 N#Cc1ccc(c(c1)Cl)OC[C@@H](O)CF 7a_100000205955_100015614560 [0,2,0,0,0,0|2,0,0]=4 14767 B15R1.1856 N#Cc1ccc(c(c1)Cl)OC[C@@H](O)CO 34a_100000205955_100009815848 [0,2,0,0,0,0|1,0,0]=3 14768 B15R1.1856 N#Cc1ccc(c(c1)Cl)OC[C@@H](O)CO 7a_100000205955_100009815848 [0,2,0,0,0,0|1,0,0]=3 14769 B15R1.1856 N#Cc1ccc(c(c1)Cl)SCC(O)CO 62a_100011219619_100012349663 [0,2,0,0,0,0|1,1,0]=4 14770 B15R1.1856 N#Cc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100009815848_100012349663 [0,2,0,0,0,0|1,1,0]=4 14771 B15R1.1856 N#Cc1ccc(c(c1)F)NCC(O)CO 34a_100000760432_100011219619 [0,2,0,0,0,0|2,0,0]=4 14772 B15R1.1856 N#Cc1ccc(c(c1)F)NCC(O)CO 7a_100000760432_100011219619 [0,2,0,0,0,0|2,0,0]=4 14773 B15R1.1856 N#Cc1ccc(c(c1)F)NC[C@@H](O)CO 34a_100000760432_100009815848 [0,2,0,0,0,0|2,0,0]=4 14774 B15R1.1856 N#Cc1ccc(c(c1)F)NC[C@@H](O)CO 7a_100000760432_100009815848 [0,2,0,0,0,0|2,0,0]=4 14775 B15R1.1856 N#Cc1ccc(c(c1)F)OCC(O)CO 34a_100000751310_100011219619 [0,2,0,0,0,0|1,0,0]=3 14776 B15R1.1856 N#Cc1ccc(c(c1)F)OCC(O)CO 7a_100000751310_100011219619 [0,2,0,0,0,0|1,0,0]=3 14777 B15R1.1856 N#Cc1ccc(c(c1)F)OC[C@@H](O)CF 34a_100000751310_100015614560 [0,2,0,0,0,0|2,0,0]=4 14778 B15R1.1856 N#Cc1ccc(c(c1)F)OC[C@@H](O)CF 7a_100000751310_100015614560 [0,2,0,0,0,0|2,0,0]=4 14779 B15R1.1856 N#Cc1ccc(c(c1)F)OC[C@@H](O)CO 34a_100000751310_100009815848 [0,2,0,0,0,0|1,0,0]=3 14780 B15R1.1856 N#Cc1ccc(c(c1)F)OC[C@@H](O)CO 7a_100000751310_100009815848 [0,2,0,0,0,0|1,0,0]=3 14781 B15R1.1856 N#Cc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100000050172 [0,2,0,0,0,0|1,1,0]=4 14782 B15R1.1856 N#Cc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100000050172 [0,2,0,0,0,0|1,1,0]=4 14783 B15R1.1856 N#Cc1ccc(c(c1)I)NCC(O)CO 7a_100000067503_100011219619 [0,2,0,0,0,0|2,0,0]=4 14784 B15R1.1856 N#Cc1ccc(c(c1)I)NC[C@@H](O)CO 7a_100000067503_100009815848 [0,2,0,0,0,0|2,0,0]=4 14785 B15R1.1856 N#Cc1ccc(c(c1)I)OCC(O)CO 34a_100000725478_100011219619 [0,2,0,0,0,0|1,0,0]=3 14786 B15R1.1856 N#Cc1ccc(c(c1)I)OCC(O)CO 7a_100000725478_100011219619 [0,2,0,0,0,0|1,0,0]=3 14787 B15R1.1856 N#Cc1ccc(c(c1)I)OC[C@@H](O)CF 34a_100000725478_100015614560 [0,2,0,0,0,0|2,0,0]=4 14788 B15R1.1856 N#Cc1ccc(c(c1)I)OC[C@@H](O)CF 7a_100000725478_100015614560 [0,2,0,0,0,0|2,0,0]=4 14789 B15R1.1856 N#Cc1ccc(c(c1)I)OC[C@@H](O)CO 34a_100000725478_100009815848 [0,2,0,0,0,0|1,0,0]=3 14790 B15R1.1856 N#Cc1ccc(c(c1)I)OC[C@@H](O)CO 7a_100000725478_100009815848 [0,2,0,0,0,0|1,0,0]=3 14791 B15R1.1856 N#Cc1ccc(c(c1)N)OCC(O)CO 34a_100000766272_100011219619 [0,2,0,0,0,0|1,0,0]=3 14792 B15R1.1856 N#Cc1ccc(c(c1)N)OCC(O)CO 7a_100000766272_100011219619 [0,2,0,0,0,0|1,0,0]=3 14793 B15R1.1856 N#Cc1ccc(c(c1)N)OC[C@@H](O)CF 34a_100000766272_100015614560 [0,2,0,0,0,0|2,0,0]=4 14794 B15R1.1856 N#Cc1ccc(c(c1)N)OC[C@@H](O)CF 7a_100000766272_100015614560 [0,2,0,0,0,0|2,0,0]=4 14795 B15R1.1856 N#Cc1ccc(c(c1)N)OC[C@@H](O)CO 34a_100000766272_100009815848 [0,2,0,0,0,0|1,0,0]=3 14796 B15R1.1856 N#Cc1ccc(c(c1)N)OC[C@@H](O)CO 7a_100000766272_100009815848 [0,2,0,0,0,0|1,0,0]=3 14797 B15R1.1856 N#Cc1ccc(c(c1)N)SCC(O)CO 62a_100011219619_100012001879 [0,2,0,0,0,0|1,1,0]=4 14798 B15R1.1856 N#Cc1ccc(c(c1)N)SC[C@@H](O)CO 62a_100009815848_100012001879 [0,2,0,0,0,0|1,1,0]=4 14799 B15R1.1856 N#Cc1ccc(c(c1)O)NCC(O)CO 34a_100011997735_100011219619 [0,2,0,0,0,0|2,0,0]=4 14800 B15R1.1856 N#Cc1ccc(c(c1)O)NC[C@@H](O)CO 34a_100011997735_100009815848 [0,2,0,0,0,0|2,0,0]=4 14801 B15R1.1856 N#Cc1ccc(c(c1)O)SCC(O)CO 62a_100011219619_100009877741 [0,2,0,0,0,0|1,1,0]=4 14802 B15R1.1856 N#Cc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100009877741 [0,2,0,0,0,0|1,1,0]=4 14803 B15R1.1856 NCc1ccc(c(c1)F)OCC(O)CO 34a_100000758358_100011219619 [0,2,0,0,0,0|1,0,0]=3 14804 B15R1.1856 NCc1ccc(c(c1)F)OC[C@@H](O)CF 34a_100000758358_100015614560 [0,2,0,0,0,0|2,0,0]=4 14805 B15R1.1856 NCc1ccc(c(c1)F)OC[C@@H](O)CO 34a_100000758358_100009815848 [0,2,0,0,0,0|1,0,0]=3 14806 B15R1.1856 NCc1ccc(c(c1)F)SCC(O)CO 62a_100000755036_100011219619 [0,2,0,0,0,0|1,1,0]=4 14807 B15R1.1856 NCc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100000755036 [0,2,0,0,0,0|1,1,0]=4 14808 B15R1.1856 NCc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100000755036_100009815848 [0,2,0,0,0,0|1,1,0]=4 14809 B15R1.1856 NCc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100000755036 [0,2,0,0,0,0|1,1,0]=4 14810 B15R1.1856 NNc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100016992936 [0,2,0,0,0,0|1,1,0]=4 14811 B15R1.1856 NNc1ccc(c(c1)F)SCC(O)CO 62a_100016992936_100011219619 [0,2,0,0,0,0|1,1,0]=4 14812 B15R1.1856 NNc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100016992936 [0,2,0,0,0,0|1,1,0]=4 14813 B15R1.1856 NNc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100016992936_100009815848 [0,2,0,0,0,0|1,1,0]=4 14814 B15R1.1856 Nc1cc(ccc1OCC(O)CO)CO 34a_100000123545_100011219619 [0,2,0,0,0,0|1,0,0]=3 14815 B15R1.1856 Nc1cc(ccc1OC[C@@H](O)CF)CO 34a_100000123545_100015614560 [0,2,0,0,0,0|2,0,0]=4 14816 B15R1.1856 Nc1cc(ccc1OC[C@@H](O)CO)CO 34a_100000123545_100009815848 [0,2,0,0,0,0|1,0,0]=3 14817 B15R1.1856 Nc1cc(ccc1SCC(O)CO)CO 62a_100011219619_100012347568 [0,2,0,0,0,0|1,1,0]=4 14818 B15R1.1856 Nc1cc(ccc1SCC(O)CO)CO 62a_100012347568_100011219619 [0,2,0,0,0,0|1,1,0]=4 14819 B15R1.1856 Nc1cc(ccc1SC[C@@H](O)CO)CO 62a_100009815848_100012347568 [0,2,0,0,0,0|1,1,0]=4 14820 B15R1.1856 Nc1cc(ccc1SC[C@@H](O)CO)CO 62a_100012347568_100009815848 [0,2,0,0,0,0|1,1,0]=4 14821 B15R1.1856 O=Cc1ccc(c(c1)F)SCC(O)CO 62a_100000686674_100011219619 [0,2,0,0,0,0|1,1,0]=4 14822 B15R1.1856 O=Cc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100000686674 [0,2,0,0,0,0|1,1,0]=4 14823 B15R1.1856 O=Cc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100000686674_100009815848 [0,2,0,0,0,0|1,1,0]=4 14824 B15R1.1856 O=Cc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100000686674 [0,2,0,0,0,0|1,1,0]=4 14825 B15R1.1856 O=Cc1ccc(c(c1)O)SCC(O)CO 62a_100000041418_100011219619 [0,2,0,0,0,0|1,1,0]=4 14826 B15R1.1856 O=Cc1ccc(c(c1)O)SCC(O)CO 62a_100011219619_100000041418 [0,2,0,0,0,0|1,1,0]=4 14827 B15R1.1856 O=Cc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100000041418_100009815848 [0,2,0,0,0,0|1,1,0]=4 14828 B15R1.1856 O=Cc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100000041418 [0,2,0,0,0,0|1,1,0]=4 14829 B15R1.1856 O=c1cc(occ1OCC(O)CO)CCl 34a_100000010605_100011219619 [0,2,0,0,0,0|1,0,0]=3 14830 B15R1.1856 O=c1cc(occ1OCC(O)CO)CO 34a_100000211585_100011219619 [0,2,0,0,0,0|2,0,0]=4 14831 B15R1.1856 O=c1cc(occ1OC[C@@H](O)CF)CCl 34a_100000010605_100015614560 [0,2,0,0,0,0|2,0,0]=4 14832 B15R1.1856 O=c1cc(occ1OC[C@@H](O)CO)CCl 34a_100000010605_100009815848 [0,2,0,0,0,0|1,0,0]=3 14833 B15R1.1856 O=c1cc(occ1OC[C@@H](O)CO)CO 34a_100000211585_100009815848 [0,2,0,0,0,0|2,0,0]=4 14834 B15R1.1856 OCc1ccc(c(c1)Br)OCC(O)CO 34a_100011191544_100011219619 [0,2,0,0,0,0|1,0,0]=3 14835 B15R1.1856 OCc1ccc(c(c1)Br)OCC(O)CO 7a_100011191544_100011219619 [0,2,0,0,0,0|1,0,0]=3 14836 B15R1.1856 OCc1ccc(c(c1)Br)OC[C@@H](O)CF 34a_100011191544_100015614560 [0,2,0,0,0,0|2,0,0]=4 14837 B15R1.1856 OCc1ccc(c(c1)Br)OC[C@@H](O)CF 7a_100011191544_100015614560 [0,2,0,0,0,0|2,0,0]=4 14838 B15R1.1856 OCc1ccc(c(c1)Br)OC[C@@H](O)CO 34a_100011191544_100009815848 [0,2,0,0,0,0|1,0,0]=3 14839 B15R1.1856 OCc1ccc(c(c1)Br)OC[C@@H](O)CO 7a_100011191544_100009815848 [0,2,0,0,0,0|1,0,0]=3 14840 B15R1.1856 OCc1ccc(c(c1)Cl)SCC(O)CO 62a_100000718186_100011219619 [0,2,0,0,0,0|1,1,0]=4 14841 B15R1.1856 OCc1ccc(c(c1)Cl)SCC(O)CO 62a_100011219619_100000718186 [0,2,0,0,0,0|1,1,0]=4 14842 B15R1.1856 OCc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100000718186_100009815848 [0,2,0,0,0,0|1,1,0]=4 14843 B15R1.1856 OCc1ccc(c(c1)Cl)SC[C@@H](O)CO 62a_100009815848_100000718186 [0,2,0,0,0,0|1,1,0]=4 14844 B15R1.1856 OCc1ccc(c(c1)F)NCC(O)CO 2230a_100011217239_100011219619 [0,2,0,0,0,0|2,0,0]=4 14845 B15R1.1856 OCc1ccc(c(c1)F)NCC(O)CO 34a_100011217239_100011219619 [0,2,0,0,0,0|2,0,0]=4 14846 B15R1.1856 OCc1ccc(c(c1)F)NC[C@@H](O)CO 2230a_100011217239_100009815848 [0,2,0,0,0,0|2,0,0]=4 14847 B15R1.1856 OCc1ccc(c(c1)F)NC[C@@H](O)CO 34a_100011217239_100009815848 [0,2,0,0,0,0|2,0,0]=4 14848 B15R1.1856 OCc1ccc(c(c1)F)SCC(O)CO 62a_100011219619_100011533735 [0,2,0,0,0,0|1,1,0]=4 14849 B15R1.1856 OCc1ccc(c(c1)F)SCC(O)CO 62a_100011533735_100011219619 [0,2,0,0,0,0|1,1,0]=4 14850 B15R1.1856 OCc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100009815848_100011533735 [0,2,0,0,0,0|1,1,0]=4 14851 B15R1.1856 OCc1ccc(c(c1)F)SC[C@@H](O)CO 62a_100011533735_100009815848 [0,2,0,0,0,0|1,1,0]=4 14852 B15R1.1856 OCc1ccc(c(c1)O)SCC(O)CO 62a_100000049605_100011219619 [0,2,0,0,0,0|1,1,0]=4 14853 B15R1.1856 OCc1ccc(c(c1)O)SCC(O)CO 62a_100011219619_100000049605 [0,2,0,0,0,0|1,1,0]=4 14854 B15R1.1856 OCc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100000049605_100009815848 [0,2,0,0,0,0|1,1,0]=4 14855 B15R1.1856 OCc1ccc(c(c1)O)SC[C@@H](O)CO 62a_100009815848_100000049605 [0,2,0,0,0,0|1,1,0]=4 14856 B15R1.1856 OCc1ccc(c(n1)Br)OCC(O)CO 34a_200009817064_100011219619 [0,2,0,0,0,0|2,0,0]=4 14857 B15R1.1856 OCc1ccc(c(n1)Br)OCC(O)CO 7a_200009817064_100011219619 [0,2,0,0,0,0|2,0,0]=4 14858 B15R1.1856 OCc1ccc(c(n1)Br)OC[C@@H](O)CO 34a_200009817064_100009815848 [0,2,0,0,0,0|2,0,0]=4 14859 B15R1.1856 OCc1ccc(c(n1)Br)OC[C@@H](O)CO 7a_200009817064_100009815848 [0,2,0,0,0,0|2,0,0]=4 14860 B15R1.1856 OCc1ccc(c(n1)Cl)OCC(O)CO 34a_200000118097_100011219619 [0,2,0,0,0,0|2,0,0]=4 14861 B15R1.1856 OCc1ccc(c(n1)Cl)OCC(O)CO 7a_200000118097_100011219619 [0,2,0,0,0,0|2,0,0]=4 14862 B15R1.1856 OCc1ccc(c(n1)Cl)OC[C@@H](O)CO 34a_200000118097_100009815848 [0,2,0,0,0,0|2,0,0]=4 14863 B15R1.1856 OCc1ccc(c(n1)Cl)OC[C@@H](O)CO 7a_200000118097_100009815848 [0,2,0,0,0,0|2,0,0]=4 14864 B15R1.3779 C#Cc1ccc(cc1Cl)NCC(O)CO 2230a_100012001888_100011219619 [0,2,0,0,0,0|2,0,0]=4 14865 B15R1.3779 C#Cc1ccc(cc1Cl)NCC(O)CO 34a_100012001888_100011219619 [0,2,0,0,0,0|2,0,0]=4 14866 B15R1.3779 C#Cc1ccc(cc1Cl)NC[C@@H](O)CO 2230a_100012001888_100009815848 [0,2,0,0,0,0|2,0,0]=4 14867 B15R1.3779 C#Cc1ccc(cc1Cl)NC[C@@H](O)CO 34a_100012001888_100009815848 [0,2,0,0,0,0|2,0,0]=4 14868 B15R1.3779 C#Cc1ccc(cc1F)NCC(O)CO 2230a_100012001886_100011219619 [0,2,0,0,0,0|2,0,0]=4 14869 B15R1.3779 C#Cc1ccc(cc1F)NCC(O)CO 34a_100012001886_100011219619 [0,2,0,0,0,0|2,0,0]=4 14870 B15R1.3779 C#Cc1ccc(cc1F)NC[C@@H](O)CO 2230a_100012001886_100009815848 [0,2,0,0,0,0|2,0,0]=4 14871 B15R1.3779 C#Cc1ccc(cc1F)NC[C@@H](O)CO 34a_100012001886_100009815848 [0,2,0,0,0,0|2,0,0]=4 14872 B15R1.3779 C=Cc1ccc(cc1F)SCC(O)CO 62a_100011219619_100011935271 [0,2,0,0,0,0|1,1,0]=4 14873 B15R1.3779 C=Cc1ccc(cc1F)SCC(O)CO 62a_100011935271_100011219619 [0,2,0,0,0,0|1,1,0]=4 14874 B15R1.3779 C=Cc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100011935271 [0,2,0,0,0,0|1,1,0]=4 14875 B15R1.3779 C=Cc1ccc(cc1F)SC[C@@H](O)CO 62a_100011935271_100009815848 [0,2,0,0,0,0|1,1,0]=4 14876 B15R1.3779 CCC(O)COc1ccc(c(c1)Br)C#N 34a_100012184851_100011218378 [0,2,0,0,0,0|2,0,0]=4 14877 B15R1.3779 CCC(O)COc1ccc(c(c1)Br)C#N 7a_100012184851_100011218378 [0,2,0,0,0,0|2,0,0]=4 14878 B15R1.3779 CCC(O)COc1ccc(c(c1)Br)CO 34a_100010146404_100011218378 [0,2,0,0,0,0|2,0,0]=4 14879 B15R1.3779 CCC(O)COc1ccc(c(c1)Br)CO 7a_100010146404_100011218378 [0,2,0,0,0,0|2,0,0]=4 14880 B15R1.3779 CCC(O)COc1ccc(c(c1)Br)OC 34a_100010234764_100011218378 [0,2,0,0,0,0|2,0,0]=4 14881 B15R1.3779 CCC(O)COc1ccc(c(c1)Br)OC 7a_100010234764_100011218378 [0,2,0,0,0,0|2,0,0]=4 14882 B15R1.3779 CCC(O)COc1ccc(c(c1)C)C#N 34a_100000720286_100011218378 [0,2,0,0,0,0|2,0,0]=4 14883 B15R1.3779 CCC(O)COc1ccc(c(c1)C)C#N 7a_100000720286_100011218378 [0,2,0,0,0,0|2,0,0]=4 14884 B15R1.3779 CCC(O)COc1ccc(c(c1)C)NC 34a_100161107805_100011218378 [0,2,0,0,0,0|2,0,0]=4 14885 B15R1.3779 CCC(O)COc1ccc(c(c1)C)NC 7a_100161107805_100011218378 [0,2,0,0,0,0|2,0,0]=4 14886 B15R1.3779 CCC(O)COc1ccc(c(c1)C)OC 34a_100000759738_100011218378 [0,2,0,0,0,0|2,0,0]=4 14887 B15R1.3779 CCC(O)COc1ccc(c(c1)C)OC 7a_100000759738_100011218378 [0,2,0,0,0,0|2,0,0]=4 14888 B15R1.3779 CCC(O)COc1ccc(c(c1)C)SC 34a_100000030144_100011218378 [0,2,0,0,0,0|2,0,0]=4 14889 B15R1.3779 CCC(O)COc1ccc(c(c1)Cl)C#N 34a_100000716493_100011218378 [0,2,0,0,0,0|2,0,0]=4 14890 B15R1.3779 CCC(O)COc1ccc(c(c1)Cl)C#N 7a_100000716493_100011218378 [0,2,0,0,0,0|2,0,0]=4 14891 B15R1.3779 CCC(O)COc1ccc(c(c1)Cl)CN 34a_200161156549_100011218378 [0,2,0,0,0,0|2,0,0]=4 14892 B15R1.3779 CCC(O)COc1ccc(c(c1)Cl)CO 34a_200000075811_100011218378 [0,2,0,0,0,0|2,0,0]=4 14893 B15R1.3779 CCC(O)COc1ccc(c(c1)Cl)CO 7a_200000075811_100011218378 [0,2,0,0,0,0|2,0,0]=4 14894 B15R1.3779 CCC(O)COc1ccc(c(c1)Cl)OC 34a_200009861682_100011218378 [0,2,0,0,0,0|2,0,0]=4 14895 B15R1.3779 CCC(O)COc1ccc(c(c1)Cl)OC 7a_200009861682_100011218378 [0,2,0,0,0,0|2,0,0]=4 14896 B15R1.3779 CCC(O)COc1ccc(c(c1)F)C#N 34a_100000753931_100011218378 [0,2,0,0,0,0|2,0,0]=4 14897 B15R1.3779 CCC(O)COc1ccc(c(c1)F)C#N 7a_100000753931_100011218378 [0,2,0,0,0,0|2,0,0]=4 14898 B15R1.3779 CCC(O)COc1ccc(c(c1)F)CO 34a_100000084598_100011218378 [0,2,0,0,0,0|2,0,0]=4 14899 B15R1.3779 CCC(O)COc1ccc(c(c1)F)CO 7a_100000084598_100011218378 [0,2,0,0,0,0|2,0,0]=4 14900 B15R1.3779 CCC(O)COc1ccc(c(c1)F)OC 34a_100000746305_100011218378 [0,2,0,0,0,0|2,0,0]=4 14901 B15R1.3779 CCC(O)COc1ccc(c(c1)F)OC 7a_100000746305_100011218378 [0,2,0,0,0,0|2,0,0]=4 14902 B15R1.3779 CCC(O)COc1ccc(c(c1)I)OC 34a_100010084122_100011218378 [0,2,0,0,0,0|2,0,0]=4 14903 B15R1.3779 CCC(O)COc1ccc(c(c1)I)OC 7a_100010084122_100011218378 [0,2,0,0,0,0|2,0,0]=4 14904 B15R1.3779 CCc1ccc(cc1Cl)NCC(O)CO 2230a_100000766362_100011219619 [0,2,0,0,0,0|2,0,0]=4 14905 B15R1.3779 CCc1ccc(cc1Cl)NCC(O)CO 34a_100000766362_100011219619 [0,2,0,0,0,0|2,0,0]=4 14906 B15R1.3779 CCc1ccc(cc1Cl)NCC(O)CO 7a_100000766362_100011219619 [0,2,0,0,0,0|2,0,0]=4 14907 B15R1.3779 CCc1ccc(cc1Cl)NC[C@@H](O)CO 2230a_100000766362_100009815848 [0,2,0,0,0,0|2,0,0]=4 14908 B15R1.3779 CCc1ccc(cc1Cl)NC[C@@H](O)CO 34a_100000766362_100009815848 [0,2,0,0,0,0|2,0,0]=4 14909 B15R1.3779 CCc1ccc(cc1Cl)NC[C@@H](O)CO 7a_100000766362_100009815848 [0,2,0,0,0,0|2,0,0]=4 14910 B15R1.3779 CCc1ccc(cc1Cl)OCC(O)CC 34a_100009886192_100011218378 [0,2,0,0,0,0|2,0,0]=4 14911 B15R1.3779 CCc1ccc(cc1Cl)OCC(O)CC 7a_100009886192_100011218378 [0,2,0,0,0,0|2,0,0]=4 14912 B15R1.3779 CCc1ccc(cc1Cl)OCC(O)CO 34a_100009886192_100011219619 [0,2,0,0,0,0|1,0,0]=3 14913 B15R1.3779 CCc1ccc(cc1Cl)OCC(O)CO 7a_100009886192_100011219619 [0,2,0,0,0,0|1,0,0]=3 14914 B15R1.3779 CCc1ccc(cc1Cl)OC[C@@H](C)CO 34a_100009886192_100000059175 [0,2,0,0,0,0|2,0,0]=4 14915 B15R1.3779 CCc1ccc(cc1Cl)OC[C@@H](C)CO 7a_100009886192_100000059175 [0,2,0,0,0,0|2,0,0]=4 14916 B15R1.3779 CCc1ccc(cc1Cl)OC[C@@H](O)CF 34a_100009886192_100015614560 [0,2,0,0,0,0|2,0,0]=4 14917 B15R1.3779 CCc1ccc(cc1Cl)OC[C@@H](O)CF 7a_100009886192_100015614560 [0,2,0,0,0,0|2,0,0]=4 14918 B15R1.3779 CCc1ccc(cc1Cl)OC[C@@H](O)CO 34a_100009886192_100009815848 [0,2,0,0,0,0|1,0,0]=3 14919 B15R1.3779 CCc1ccc(cc1Cl)OC[C@@H](O)CO 7a_100009886192_100009815848 [0,2,0,0,0,0|1,0,0]=3 14920 B15R1.3779 CCc1ccc(cc1F)SCC(O)CO 62a_100011219619_200010071577 [0,2,0,0,0,0|1,1,0]=4 14921 B15R1.3779 CCc1ccc(cc1F)SCC(O)CO 62a_200010071577_100011219619 [0,2,0,0,0,0|1,1,0]=4 14922 B15R1.3779 CCc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_200010071577 [0,2,0,0,0,0|1,1,0]=4 14923 B15R1.3779 CCc1ccc(cc1F)SC[C@@H](O)CO 62a_200010071577_100009815848 [0,2,0,0,0,0|1,1,0]=4 14924 B15R1.3779 CCc1ccc(cc1N)SCC(O)CO 62a_100011219619_100012354963 [0,2,0,0,0,0|1,1,0]=4 14925 B15R1.3779 CCc1ccc(cc1N)SCC(O)CO 62a_100012354963_100011219619 [0,2,0,0,0,0|1,1,0]=4 14926 B15R1.3779 CCc1ccc(cc1N)SC[C@@H](O)CO 62a_100009815848_100012354963 [0,2,0,0,0,0|1,1,0]=4 14927 B15R1.3779 CCc1ccc(cc1N)SC[C@@H](O)CO 62a_100012354963_100009815848 [0,2,0,0,0,0|1,1,0]=4 14928 B15R1.3779 CNc1ccc(cc1C)OCC(O)CO 34a_100161107805_100011219619 [0,2,0,0,0,0|1,0,0]=3 14929 B15R1.3779 CNc1ccc(cc1C)OCC(O)CO 7a_100161107805_100011219619 [0,2,0,0,0,0|1,0,0]=3 14930 B15R1.3779 CNc1ccc(cc1C)OC[C@@H](C)CO 34a_100161107805_100000059175 [0,2,0,0,0,0|2,0,0]=4 14931 B15R1.3779 CNc1ccc(cc1C)OC[C@@H](C)CO 7a_100161107805_100000059175 [0,2,0,0,0,0|2,0,0]=4 14932 B15R1.3779 CNc1ccc(cc1C)OC[C@@H](O)CF 34a_100161107805_100015614560 [0,2,0,0,0,0|2,0,0]=4 14933 B15R1.3779 CNc1ccc(cc1C)OC[C@@H](O)CF 7a_100161107805_100015614560 [0,2,0,0,0,0|2,0,0]=4 14934 B15R1.3779 CNc1ccc(cc1C)OC[C@@H](O)CO 34a_100161107805_100009815848 [0,2,0,0,0,0|1,0,0]=3 14935 B15R1.3779 CNc1ccc(cc1C)OC[C@@H](O)CO 7a_100161107805_100009815848 [0,2,0,0,0,0|1,0,0]=3 14936 B15R1.3779 CNc1ccc(cc1C)SCC(O)CO 62a_100000221803_100011219619 [0,2,0,0,0,0|1,1,0]=4 14937 B15R1.3779 CNc1ccc(cc1C)SCC(O)CO 62a_100011219619_100000221803 [0,2,0,0,0,0|1,1,0]=4 14938 B15R1.3779 CNc1ccc(cc1C)SC[C@@H](O)CO 62a_100000221803_100009815848 [0,2,0,0,0,0|1,1,0]=4 14939 B15R1.3779 CNc1ccc(cc1C)SC[C@@H](O)CO 62a_100009815848_100000221803 [0,2,0,0,0,0|1,1,0]=4 14940 B15R1.3779 CNc1ccc(cc1F)SCC(O)CO 62a_100000743884_100011219619 [0,2,0,0,0,0|1,1,0]=4 14941 B15R1.3779 CNc1ccc(cc1F)SCC(O)CO 62a_100011219619_100000743884 [0,2,0,0,0,0|1,1,0]=4 14942 B15R1.3779 CNc1ccc(cc1F)SC[C@@H](O)CO 62a_100000743884_100009815848 [0,2,0,0,0,0|1,1,0]=4 14943 B15R1.3779 CNc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000743884 [0,2,0,0,0,0|1,1,0]=4 14944 B15R1.3779 CNc1ccc(cc1N)SCC(O)CO 62a_100000741790_100011219619 [0,2,0,0,0,0|1,1,0]=4 14945 B15R1.3779 CNc1ccc(cc1N)SC[C@@H](O)CO 62a_100000741790_100009815848 [0,2,0,0,0,0|1,1,0]=4 14946 B15R1.3779 COc1ccc(cc1Br)NCC(O)CO 34a_100000187427_100011219619 [0,2,0,0,0,0|2,0,0]=4 14947 B15R1.3779 COc1ccc(cc1Br)NC[C@@H](O)CO 34a_100000187427_100009815848 [0,2,0,0,0,0|2,0,0]=4 14948 B15R1.3779 COc1ccc(cc1Br)OCC(O)CO 34a_100010234764_100011219619 [0,2,0,0,0,0|1,0,0]=3 14949 B15R1.3779 COc1ccc(cc1Br)OCC(O)CO 7a_100010234764_100011219619 [0,2,0,0,0,0|1,0,0]=3 14950 B15R1.3779 COc1ccc(cc1Br)OC[C@@H](C)CO 34a_100010234764_100000059175 [0,2,0,0,0,0|2,0,0]=4 14951 B15R1.3779 COc1ccc(cc1Br)OC[C@@H](C)CO 7a_100010234764_100000059175 [0,2,0,0,0,0|2,0,0]=4 14952 B15R1.3779 COc1ccc(cc1Br)OC[C@@H](O)CF 34a_100010234764_100015614560 [0,2,0,0,0,0|2,0,0]=4 14953 B15R1.3779 COc1ccc(cc1Br)OC[C@@H](O)CF 7a_100010234764_100015614560 [0,2,0,0,0,0|2,0,0]=4 14954 B15R1.3779 COc1ccc(cc1Br)OC[C@@H](O)CO 34a_100010234764_100009815848 [0,2,0,0,0,0|1,0,0]=3 14955 B15R1.3779 COc1ccc(cc1Br)OC[C@@H](O)CO 7a_100010234764_100009815848 [0,2,0,0,0,0|1,0,0]=3 14956 B15R1.3779 COc1ccc(cc1Br)SCC(O)CO 62a_100011219619_100011249507 [0,2,0,0,0,0|1,1,0]=4 14957 B15R1.3779 COc1ccc(cc1Br)SCC(O)CO 62a_100011249507_100011219619 [0,2,0,0,0,0|1,1,0]=4 14958 B15R1.3779 COc1ccc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100011249507 [0,2,0,0,0,0|1,1,0]=4 14959 B15R1.3779 COc1ccc(cc1Br)SC[C@@H](O)CO 62a_100011249507_100009815848 [0,2,0,0,0,0|1,1,0]=4 14960 B15R1.3779 COc1ccc(cc1C)NCC(O)CO 2230a_100000743268_100011219619 [0,2,0,0,0,0|2,0,0]=4 14961 B15R1.3779 COc1ccc(cc1C)NCC(O)CO 34a_100000743268_100011219619 [0,2,0,0,0,0|2,0,0]=4 14962 B15R1.3779 COc1ccc(cc1C)NCC(O)CO 7a_100000743268_100011219619 [0,2,0,0,0,0|2,0,0]=4 14963 B15R1.3779 COc1ccc(cc1C)NC[C@@H](O)CO 2230a_100000743268_100009815848 [0,2,0,0,0,0|2,0,0]=4 14964 B15R1.3779 COc1ccc(cc1C)NC[C@@H](O)CO 34a_100000743268_100009815848 [0,2,0,0,0,0|2,0,0]=4 14965 B15R1.3779 COc1ccc(cc1C)NC[C@@H](O)CO 7a_100000743268_100009815848 [0,2,0,0,0,0|2,0,0]=4 14966 B15R1.3779 COc1ccc(cc1C)OCC(O)CO 34a_100000759738_100011219619 [0,2,0,0,0,0|1,0,0]=3 14967 B15R1.3779 COc1ccc(cc1C)OCC(O)CO 7a_100000759738_100011219619 [0,2,0,0,0,0|1,0,0]=3 14968 B15R1.3779 COc1ccc(cc1C)OC[C@@H](C)CO 34a_100000759738_100000059175 [0,2,0,0,0,0|2,0,0]=4 14969 B15R1.3779 COc1ccc(cc1C)OC[C@@H](C)CO 7a_100000759738_100000059175 [0,2,0,0,0,0|2,0,0]=4 14970 B15R1.3779 COc1ccc(cc1C)OC[C@@H](O)CF 34a_100000759738_100015614560 [0,2,0,0,0,0|2,0,0]=4 14971 B15R1.3779 COc1ccc(cc1C)OC[C@@H](O)CF 7a_100000759738_100015614560 [0,2,0,0,0,0|2,0,0]=4 14972 B15R1.3779 COc1ccc(cc1C)OC[C@@H](O)CO 34a_100000759738_100009815848 [0,2,0,0,0,0|1,0,0]=3 14973 B15R1.3779 COc1ccc(cc1C)OC[C@@H](O)CO 7a_100000759738_100009815848 [0,2,0,0,0,0|1,0,0]=3 14974 B15R1.3779 COc1ccc(cc1C)SCC(O)CO 62a_100011219619_100011219705 [0,2,0,0,0,0|1,1,0]=4 14975 B15R1.3779 COc1ccc(cc1C)SCC(O)CO 62a_100011219705_100011219619 [0,2,0,0,0,0|1,1,0]=4 14976 B15R1.3779 COc1ccc(cc1C)SC[C@@H](O)CO 62a_100009815848_100011219705 [0,2,0,0,0,0|1,1,0]=4 14977 B15R1.3779 COc1ccc(cc1C)SC[C@@H](O)CO 62a_100011219705_100009815848 [0,2,0,0,0,0|1,1,0]=4 14978 B15R1.3779 COc1ccc(cc1Cl)NCC(O)CO 2230a_100000211044_100011219619 [0,2,0,0,0,0|2,0,0]=4 14979 B15R1.3779 COc1ccc(cc1Cl)NCC(O)CO 34a_100000211044_100011219619 [0,2,0,0,0,0|2,0,0]=4 14980 B15R1.3779 COc1ccc(cc1Cl)NC[C@@H](O)CO 2230a_100000211044_100009815848 [0,2,0,0,0,0|2,0,0]=4 14981 B15R1.3779 COc1ccc(cc1Cl)NC[C@@H](O)CO 34a_100000211044_100009815848 [0,2,0,0,0,0|2,0,0]=4 14982 B15R1.3779 COc1ccc(cc1Cl)OCC(O)CO 34a_200009861682_100011219619 [0,2,0,0,0,0|1,0,0]=3 14983 B15R1.3779 COc1ccc(cc1Cl)OCC(O)CO 7a_200009861682_100011219619 [0,2,0,0,0,0|1,0,0]=3 14984 B15R1.3779 COc1ccc(cc1Cl)OC[C@@H](C)CO 34a_200009861682_100000059175 [0,2,0,0,0,0|2,0,0]=4 14985 B15R1.3779 COc1ccc(cc1Cl)OC[C@@H](C)CO 7a_200009861682_100000059175 [0,2,0,0,0,0|2,0,0]=4 14986 B15R1.3779 COc1ccc(cc1Cl)OC[C@@H](O)CF 34a_200009861682_100015614560 [0,2,0,0,0,0|2,0,0]=4 14987 B15R1.3779 COc1ccc(cc1Cl)OC[C@@H](O)CF 7a_200009861682_100015614560 [0,2,0,0,0,0|2,0,0]=4 14988 B15R1.3779 COc1ccc(cc1Cl)OC[C@@H](O)CO 34a_200009861682_100009815848 [0,2,0,0,0,0|1,0,0]=3 14989 B15R1.3779 COc1ccc(cc1Cl)OC[C@@H](O)CO 7a_200009861682_100009815848 [0,2,0,0,0,0|1,0,0]=3 14990 B15R1.3779 COc1ccc(cc1Cl)SCC(O)CO 62a_100011219619_100012355395 [0,2,0,0,0,0|1,1,0]=4 14991 B15R1.3779 COc1ccc(cc1Cl)SCC(O)CO 62a_100012355395_100011219619 [0,2,0,0,0,0|1,1,0]=4 14992 B15R1.3779 COc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100009815848_100012355395 [0,2,0,0,0,0|1,1,0]=4 14993 B15R1.3779 COc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100012355395_100009815848 [0,2,0,0,0,0|1,1,0]=4 14994 B15R1.3779 COc1ccc(cc1F)NCC(O)CO 2230a_100000740183_100011219619 [0,2,0,0,0,0|2,0,0]=4 14995 B15R1.3779 COc1ccc(cc1F)NCC(O)CO 34a_100000740183_100011219619 [0,2,0,0,0,0|2,0,0]=4 14996 B15R1.3779 COc1ccc(cc1F)NC[C@@H](O)CO 2230a_100000740183_100009815848 [0,2,0,0,0,0|2,0,0]=4 14997 B15R1.3779 COc1ccc(cc1F)NC[C@@H](O)CO 34a_100000740183_100009815848 [0,2,0,0,0,0|2,0,0]=4 14998 B15R1.3779 COc1ccc(cc1F)OCC(O)CO 34a_100000746305_100011219619 [0,2,0,0,0,0|1,0,0]=3 14999 B15R1.3779 COc1ccc(cc1F)OCC(O)CO 7a_100000746305_100011219619 [0,2,0,0,0,0|1,0,0]=3 15000 B15R1.3779 COc1ccc(cc1F)OC[C@@H](C)CO 34a_100000746305_100000059175 [0,2,0,0,0,0|2,0,0]=4 15001 B15R1.3779 COc1ccc(cc1F)OC[C@@H](C)CO 7a_100000746305_100000059175 [0,2,0,0,0,0|2,0,0]=4 15002 B15R1.3779 COc1ccc(cc1F)OC[C@@H](O)CF 34a_100000746305_100015614560 [0,2,0,0,0,0|2,0,0]=4 15003 B15R1.3779 COc1ccc(cc1F)OC[C@@H](O)CF 7a_100000746305_100015614560 [0,2,0,0,0,0|2,0,0]=4 15004 B15R1.3779 COc1ccc(cc1F)OC[C@@H](O)CO 34a_100000746305_100009815848 [0,2,0,0,0,0|1,0,0]=3 15005 B15R1.3779 COc1ccc(cc1F)OC[C@@H](O)CO 7a_100000746305_100009815848 [0,2,0,0,0,0|1,0,0]=3 15006 B15R1.3779 COc1ccc(cc1F)SCC(O)CO 62a_100000171752_100011219619 [0,2,0,0,0,0|1,1,0]=4 15007 B15R1.3779 COc1ccc(cc1F)SCC(O)CO 62a_100011219619_100000171752 [0,2,0,0,0,0|1,1,0]=4 15008 B15R1.3779 COc1ccc(cc1F)SC[C@@H](O)CO 62a_100000171752_100009815848 [0,2,0,0,0,0|1,1,0]=4 15009 B15R1.3779 COc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000171752 [0,2,0,0,0,0|1,1,0]=4 15010 B15R1.3779 COc1ccc(cc1I)NCC(O)CO 34a_100011356947_100011219619 [0,2,0,0,0,0|2,0,0]=4 15011 B15R1.3779 COc1ccc(cc1I)NC[C@@H](O)CO 34a_100011356947_100009815848 [0,2,0,0,0,0|2,0,0]=4 15012 B15R1.3779 COc1ccc(cc1I)OCC(O)CO 34a_100010084122_100011219619 [0,2,0,0,0,0|1,0,0]=3 15013 B15R1.3779 COc1ccc(cc1I)OCC(O)CO 7a_100010084122_100011219619 [0,2,0,0,0,0|1,0,0]=3 15014 B15R1.3779 COc1ccc(cc1I)OC[C@@H](C)CO 34a_100010084122_100000059175 [0,2,0,0,0,0|2,0,0]=4 15015 B15R1.3779 COc1ccc(cc1I)OC[C@@H](C)CO 7a_100010084122_100000059175 [0,2,0,0,0,0|2,0,0]=4 15016 B15R1.3779 COc1ccc(cc1I)OC[C@@H](O)CF 34a_100010084122_100015614560 [0,2,0,0,0,0|2,0,0]=4 15017 B15R1.3779 COc1ccc(cc1I)OC[C@@H](O)CF 7a_100010084122_100015614560 [0,2,0,0,0,0|2,0,0]=4 15018 B15R1.3779 COc1ccc(cc1I)OC[C@@H](O)CO 34a_100010084122_100009815848 [0,2,0,0,0,0|1,0,0]=3 15019 B15R1.3779 COc1ccc(cc1I)OC[C@@H](O)CO 7a_100010084122_100009815848 [0,2,0,0,0,0|1,0,0]=3 15020 B15R1.3779 COc1ccc(cc1N)SCC(O)CO 62a_100011219619_100011249504 [0,2,0,0,0,0|1,1,0]=4 15021 B15R1.3779 COc1ccc(cc1N)SCC(O)CO 62a_100011249504_100011219619 [0,2,0,0,0,0|1,1,0]=4 15022 B15R1.3779 COc1ccc(cc1N)SC[C@@H](O)CO 62a_100009815848_100011249504 [0,2,0,0,0,0|1,1,0]=4 15023 B15R1.3779 COc1ccc(cc1N)SC[C@@H](O)CO 62a_100011249504_100009815848 [0,2,0,0,0,0|1,1,0]=4 15024 B15R1.3779 COc1ccc(cc1O)NCC(O)CO 34a_100000211920_100011219619 [0,2,0,0,0,0|2,0,0]=4 15025 B15R1.3779 COc1ccc(cc1O)NC[C@@H](O)CO 34a_100000211920_100009815848 [0,2,0,0,0,0|2,0,0]=4 15026 B15R1.3779 COc1ccc(cc1O)SCC(O)CO 62a_100011219619_100009816560 [0,2,0,0,0,0|1,1,0]=4 15027 B15R1.3779 COc1ccc(cc1O)SC[C@@H](O)CO 62a_100009815848_100009816560 [0,2,0,0,0,0|1,1,0]=4 15028 B15R1.3779 CSc1ccc(cc1C)OCC(O)CO 34a_100000030144_100011219619 [0,2,0,0,0,0|1,0,0]=3 15029 B15R1.3779 CSc1ccc(cc1C)OC[C@@H](C)CO 34a_100000030144_100000059175 [0,2,0,0,0,0|2,0,0]=4 15030 B15R1.3779 CSc1ccc(cc1C)OC[C@@H](O)CF 34a_100000030144_100015614560 [0,2,0,0,0,0|2,0,0]=4 15031 B15R1.3779 CSc1ccc(cc1C)OC[C@@H](O)CO 34a_100000030144_100009815848 [0,2,0,0,0,0|1,0,0]=3 15032 B15R1.3779 CSc1ccc(cc1Cl)SCC(O)CO 62a_100011219619_206447510565 [0,2,0,0,0,0|1,1,0]=4 15033 B15R1.3779 CSc1ccc(cc1Cl)SCC(O)CO 62a_206447510565_100011219619 [0,2,0,0,0,0|1,1,0]=4 15034 B15R1.3779 CSc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100009815848_206447510565 [0,2,0,0,0,0|1,1,0]=4 15035 B15R1.3779 CSc1ccc(cc1Cl)SC[C@@H](O)CO 62a_206447510565_100009815848 [0,2,0,0,0,0|1,1,0]=4 15036 B15R1.3779 CSc1ccc(cc1F)NCC(O)CO 2230a_100000762756_100011219619 [0,2,0,0,0,0|2,0,0]=4 15037 B15R1.3779 CSc1ccc(cc1F)NCC(O)CO 34a_100000762756_100011219619 [0,2,0,0,0,0|2,0,0]=4 15038 B15R1.3779 CSc1ccc(cc1F)NC[C@@H](O)CO 2230a_100000762756_100009815848 [0,2,0,0,0,0|2,0,0]=4 15039 B15R1.3779 CSc1ccc(cc1F)NC[C@@H](O)CO 34a_100000762756_100009815848 [0,2,0,0,0,0|2,0,0]=4 15040 B15R1.3779 CSc1ccc(cc1F)SCC(O)CO 62a_100010161220_100011219619 [0,2,0,0,0,0|1,1,0]=4 15041 B15R1.3779 CSc1ccc(cc1F)SCC(O)CO 62a_100011219619_100010161220 [0,2,0,0,0,0|1,1,0]=4 15042 B15R1.3779 CSc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100010161220 [0,2,0,0,0,0|1,1,0]=4 15043 B15R1.3779 CSc1ccc(cc1F)SC[C@@H](O)CO 62a_100010161220_100009815848 [0,2,0,0,0,0|1,1,0]=4 15044 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Br)C#N 34a_100012184851_100000059175 [0,2,0,0,0,0|2,0,0]=4 15045 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Br)C#N 7a_100012184851_100000059175 [0,2,0,0,0,0|2,0,0]=4 15046 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Br)CO 34a_100010146404_100000059175 [0,2,0,0,0,0|2,0,0]=4 15047 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Br)CO 7a_100010146404_100000059175 [0,2,0,0,0,0|2,0,0]=4 15048 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Cl)C#N 34a_100000716493_100000059175 [0,2,0,0,0,0|2,0,0]=4 15049 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Cl)C#N 7a_100000716493_100000059175 [0,2,0,0,0,0|2,0,0]=4 15050 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Cl)CN 34a_200161156549_100000059175 [0,2,0,0,0,0|2,0,0]=4 15051 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Cl)CO 34a_200000075811_100000059175 [0,2,0,0,0,0|2,0,0]=4 15052 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)Cl)CO 7a_200000075811_100000059175 [0,2,0,0,0,0|2,0,0]=4 15053 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)F)C#N 34a_100000753931_100000059175 [0,2,0,0,0,0|2,0,0]=4 15054 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)F)C#N 7a_100000753931_100000059175 [0,2,0,0,0,0|2,0,0]=4 15055 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)F)CO 34a_100000084598_100000059175 [0,2,0,0,0,0|2,0,0]=4 15056 B15R1.3779 C[C@@H](CO)COc1ccc(c(c1)F)CO 7a_100000084598_100000059175 [0,2,0,0,0,0|2,0,0]=4 15057 B15R1.3779 Cc1cc(ccc1C#N)NCC(O)CO 34a_100011999795_100011219619 [0,2,0,0,0,0|2,0,0]=4 15058 B15R1.3779 Cc1cc(ccc1C#N)NCC(O)CO 7a_100011999795_100011219619 [0,2,0,0,0,0|2,0,0]=4 15059 B15R1.3779 Cc1cc(ccc1C#N)NC[C@@H](O)CO 34a_100011999795_100009815848 [0,2,0,0,0,0|2,0,0]=4 15060 B15R1.3779 Cc1cc(ccc1C#N)NC[C@@H](O)CO 7a_100011999795_100009815848 [0,2,0,0,0,0|2,0,0]=4 15061 B15R1.3779 Cc1cc(ccc1C#N)OCC(O)CO 34a_100000720286_100011219619 [0,2,0,0,0,0|1,0,0]=3 15062 B15R1.3779 Cc1cc(ccc1C#N)OCC(O)CO 7a_100000720286_100011219619 [0,2,0,0,0,0|1,0,0]=3 15063 B15R1.3779 Cc1cc(ccc1C#N)OC[C@@H](C)CO 34a_100000720286_100000059175 [0,2,0,0,0,0|2,0,0]=4 15064 B15R1.3779 Cc1cc(ccc1C#N)OC[C@@H](C)CO 7a_100000720286_100000059175 [0,2,0,0,0,0|2,0,0]=4 15065 B15R1.3779 Cc1cc(ccc1C#N)OC[C@@H](O)CF 34a_100000720286_100015614560 [0,2,0,0,0,0|2,0,0]=4 15066 B15R1.3779 Cc1cc(ccc1C#N)OC[C@@H](O)CF 7a_100000720286_100015614560 [0,2,0,0,0,0|2,0,0]=4 15067 B15R1.3779 Cc1cc(ccc1C#N)OC[C@@H](O)CO 34a_100000720286_100009815848 [0,2,0,0,0,0|1,0,0]=3 15068 B15R1.3779 Cc1cc(ccc1C#N)OC[C@@H](O)CO 7a_100000720286_100009815848 [0,2,0,0,0,0|1,0,0]=3 15069 B15R1.3779 Cc1cc(ccc1C#N)SCC(O)CO 62a_100011219619_100000687762 [0,2,0,0,0,0|1,1,0]=4 15070 B15R1.3779 Cc1cc(ccc1C#N)SC[C@@H](O)CO 62a_100009815848_100000687762 [0,2,0,0,0,0|1,1,0]=4 15071 B15R1.3779 Cc1cc(ccc1C=O)SCC(O)CO 62a_100000766358_100011219619 [0,2,0,0,0,0|1,1,0]=4 15072 B15R1.3779 Cc1cc(ccc1C=O)SCC(O)CO 62a_100011219619_100000766358 [0,2,0,0,0,0|1,1,0]=4 15073 B15R1.3779 Cc1cc(ccc1C=O)SC[C@@H](O)CO 62a_100000766358_100009815848 [0,2,0,0,0,0|1,1,0]=4 15074 B15R1.3779 Cc1cc(ccc1C=O)SC[C@@H](O)CO 62a_100009815848_100000766358 [0,2,0,0,0,0|1,1,0]=4 15075 B15R1.3779 Cc1cc(ccc1CF)SCC(O)CO 62a_100011219619_200010711859 [0,2,0,0,0,0|0,2,0]=4 15076 B15R1.3779 Cc1cc(ccc1CF)SCC(O)CO 62a_200010711859_100011219619 [0,2,0,0,0,0|0,2,0]=4 15077 B15R1.3779 Cc1cc(ccc1CF)SC[C@@H](O)CO 62a_100009815848_200010711859 [0,2,0,0,0,0|0,2,0]=4 15078 B15R1.3779 Cc1cc(ccc1CF)SC[C@@H](O)CO 62a_200010711859_100009815848 [0,2,0,0,0,0|0,2,0]=4 15079 B15R1.3779 Cc1cc(ccc1CN)SCC(O)CO 62a_100000753881_100011219619 [0,2,0,0,0,0|1,1,0]=4 15080 B15R1.3779 Cc1cc(ccc1CN)SCC(O)CO 62a_100011219619_100000753881 [0,2,0,0,0,0|1,1,0]=4 15081 B15R1.3779 Cc1cc(ccc1CN)SC[C@@H](O)CO 62a_100000753881_100009815848 [0,2,0,0,0,0|1,1,0]=4 15082 B15R1.3779 Cc1cc(ccc1CN)SC[C@@H](O)CO 62a_100009815848_100000753881 [0,2,0,0,0,0|1,1,0]=4 15083 B15R1.3779 Cc1cc(ccc1CO)NCC(O)CO 34a_100000102464_100011219619 [0,2,0,0,0,0|2,0,0]=4 15084 B15R1.3779 Cc1cc(ccc1CO)NC[C@@H](O)CO 34a_100000102464_100009815848 [0,2,0,0,0,0|2,0,0]=4 15085 B15R1.3779 Cc1cc(ccc1CO)SCC(O)CO 62a_100000748258_100011219619 [0,2,0,0,0,0|1,1,0]=4 15086 B15R1.3779 Cc1cc(ccc1CO)SCC(O)CO 62a_100011219619_100000748258 [0,2,0,0,0,0|1,1,0]=4 15087 B15R1.3779 Cc1cc(ccc1CO)SC[C@@H](O)CO 62a_100000748258_100009815848 [0,2,0,0,0,0|1,1,0]=4 15088 B15R1.3779 Cc1cc(ccc1CO)SC[C@@H](O)CO 62a_100009815848_100000748258 [0,2,0,0,0,0|1,1,0]=4 15089 B15R1.3779 Cc1cc(ccc1NN)SCC(O)CO 62a_100000751375_100011219619 [0,2,0,0,0,0|1,1,0]=4 15090 B15R1.3779 Cc1cc(ccc1NN)SCC(O)CO 62a_100011219619_100000751375 [0,2,0,0,0,0|1,1,0]=4 15091 B15R1.3779 Cc1cc(ccc1NN)SC[C@@H](O)CO 62a_100000751375_100009815848 [0,2,0,0,0,0|1,1,0]=4 15092 B15R1.3779 Cc1cc(ccc1NN)SC[C@@H](O)CO 62a_100009815848_100000751375 [0,2,0,0,0,0|1,1,0]=4 15093 B15R1.3779 N#Cc1ccc(cc1Br)NCC(O)CO 34a_100000689153_100011219619 [0,2,0,0,0,0|2,0,0]=4 15094 B15R1.3779 N#Cc1ccc(cc1Br)NCC(O)CO 7a_100000689153_100011219619 [0,2,0,0,0,0|2,0,0]=4 15095 B15R1.3779 N#Cc1ccc(cc1Br)NC[C@@H](O)CO 34a_100000689153_100009815848 [0,2,0,0,0,0|2,0,0]=4 15096 B15R1.3779 N#Cc1ccc(cc1Br)NC[C@@H](O)CO 7a_100000689153_100009815848 [0,2,0,0,0,0|2,0,0]=4 15097 B15R1.3779 N#Cc1ccc(cc1Br)NC[C@H](O)CO 27a_100020644852_100012349582 [0,2,0,0,0,0|2,0,0]=4 15098 B15R1.3779 N#Cc1ccc(cc1Br)OCC(O)CO 34a_100012184851_100011219619 [0,2,0,0,0,0|1,0,0]=3 15099 B15R1.3779 N#Cc1ccc(cc1Br)OCC(O)CO 7a_100012184851_100011219619 [0,2,0,0,0,0|1,0,0]=3 15100 B15R1.3779 N#Cc1ccc(cc1Br)OC[C@@H](O)CF 34a_100012184851_100015614560 [0,2,0,0,0,0|2,0,0]=4 15101 B15R1.3779 N#Cc1ccc(cc1Br)OC[C@@H](O)CF 7a_100012184851_100015614560 [0,2,0,0,0,0|2,0,0]=4 15102 B15R1.3779 N#Cc1ccc(cc1Br)OC[C@@H](O)CO 34a_100012184851_100009815848 [0,2,0,0,0,0|1,0,0]=3 15103 B15R1.3779 N#Cc1ccc(cc1Br)OC[C@@H](O)CO 7a_100012184851_100009815848 [0,2,0,0,0,0|1,0,0]=3 15104 B15R1.3779 N#Cc1ccc(cc1Br)SCC(O)CO 62a_100011219619_100012349582 [0,2,0,0,0,0|1,1,0]=4 15105 B15R1.3779 N#Cc1ccc(cc1Br)SCC(O)CO 62a_100012349582_100011219619 [0,2,0,0,0,0|1,1,0]=4 15106 B15R1.3779 N#Cc1ccc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100012349582 [0,2,0,0,0,0|1,1,0]=4 15107 B15R1.3779 N#Cc1ccc(cc1Br)SC[C@@H](O)CO 62a_100012349582_100009815848 [0,2,0,0,0,0|1,1,0]=4 15108 B15R1.3779 N#Cc1ccc(cc1Cl)NCC(O)CO 34a_100000211542_100011219619 [0,2,0,0,0,0|2,0,0]=4 15109 B15R1.3779 N#Cc1ccc(cc1Cl)NCC(O)CO 7a_100000211542_100011219619 [0,2,0,0,0,0|2,0,0]=4 15110 B15R1.3779 N#Cc1ccc(cc1Cl)NC[C@@H](O)CO 34a_100000211542_100009815848 [0,2,0,0,0,0|2,0,0]=4 15111 B15R1.3779 N#Cc1ccc(cc1Cl)NC[C@@H](O)CO 7a_100000211542_100009815848 [0,2,0,0,0,0|2,0,0]=4 15112 B15R1.3779 N#Cc1ccc(cc1Cl)OCC(O)CO 34a_100000716493_100011219619 [0,2,0,0,0,0|1,0,0]=3 15113 B15R1.3779 N#Cc1ccc(cc1Cl)OCC(O)CO 7a_100000716493_100011219619 [0,2,0,0,0,0|1,0,0]=3 15114 B15R1.3779 N#Cc1ccc(cc1Cl)OC[C@@H](O)CF 34a_100000716493_100015614560 [0,2,0,0,0,0|2,0,0]=4 15115 B15R1.3779 N#Cc1ccc(cc1Cl)OC[C@@H](O)CF 7a_100000716493_100015614560 [0,2,0,0,0,0|2,0,0]=4 15116 B15R1.3779 N#Cc1ccc(cc1Cl)OC[C@@H](O)CO 34a_100000716493_100009815848 [0,2,0,0,0,0|1,0,0]=3 15117 B15R1.3779 N#Cc1ccc(cc1Cl)OC[C@@H](O)CO 7a_100000716493_100009815848 [0,2,0,0,0,0|1,0,0]=3 15118 B15R1.3779 N#Cc1ccc(cc1Cl)SCC(O)CO 62a_100011219619_100012349662 [0,2,0,0,0,0|1,1,0]=4 15119 B15R1.3779 N#Cc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100009815848_100012349662 [0,2,0,0,0,0|1,1,0]=4 15120 B15R1.3779 N#Cc1ccc(cc1F)NCC(O)CO 34a_100000765089_100011219619 [0,2,0,0,0,0|2,0,0]=4 15121 B15R1.3779 N#Cc1ccc(cc1F)NCC(O)CO 7a_100000765089_100011219619 [0,2,0,0,0,0|2,0,0]=4 15122 B15R1.3779 N#Cc1ccc(cc1F)NC[C@@H](O)CO 34a_100000765089_100009815848 [0,2,0,0,0,0|2,0,0]=4 15123 B15R1.3779 N#Cc1ccc(cc1F)NC[C@@H](O)CO 7a_100000765089_100009815848 [0,2,0,0,0,0|2,0,0]=4 15124 B15R1.3779 N#Cc1ccc(cc1F)NC[C@H](O)CO 27a_100020644852_100000037869 [0,2,0,0,0,0|2,0,0]=4 15125 B15R1.3779 N#Cc1ccc(cc1F)OCC(O)CO 34a_100000753931_100011219619 [0,2,0,0,0,0|1,0,0]=3 15126 B15R1.3779 N#Cc1ccc(cc1F)OCC(O)CO 7a_100000753931_100011219619 [0,2,0,0,0,0|1,0,0]=3 15127 B15R1.3779 N#Cc1ccc(cc1F)OC[C@@H](O)CF 34a_100000753931_100015614560 [0,2,0,0,0,0|2,0,0]=4 15128 B15R1.3779 N#Cc1ccc(cc1F)OC[C@@H](O)CF 7a_100000753931_100015614560 [0,2,0,0,0,0|2,0,0]=4 15129 B15R1.3779 N#Cc1ccc(cc1F)OC[C@@H](O)CO 34a_100000753931_100009815848 [0,2,0,0,0,0|1,0,0]=3 15130 B15R1.3779 N#Cc1ccc(cc1F)OC[C@@H](O)CO 7a_100000753931_100009815848 [0,2,0,0,0,0|1,0,0]=3 15131 B15R1.3779 N#Cc1ccc(cc1F)SCC(O)CO 62a_100011219619_100000037869 [0,2,0,0,0,0|1,1,0]=4 15132 B15R1.3779 N#Cc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000037869 [0,2,0,0,0,0|1,1,0]=4 15133 B15R1.3779 N#Cc1ccc(cc1N)SCC(O)CO 62a_100011219619_100000699244 [0,2,0,0,0,0|1,1,0]=4 15134 B15R1.3779 N#Cc1ccc(cc1N)SC[C@@H](O)CO 62a_100009815848_100000699244 [0,2,0,0,0,0|1,1,0]=4 15135 B15R1.3779 N#Cc1ccc(cc1O)NCC(O)CO 34a_100000094571_100011219619 [0,2,0,0,0,0|2,0,0]=4 15136 B15R1.3779 N#Cc1ccc(cc1O)NCC(O)CO 7a_100000094571_100011219619 [0,2,0,0,0,0|2,0,0]=4 15137 B15R1.3779 N#Cc1ccc(cc1O)NC[C@@H](O)CO 34a_100000094571_100009815848 [0,2,0,0,0,0|2,0,0]=4 15138 B15R1.3779 N#Cc1ccc(cc1O)NC[C@@H](O)CO 7a_100000094571_100009815848 [0,2,0,0,0,0|2,0,0]=4 15139 B15R1.3779 N#Cc1ccc(cc1O)SCC(O)CO 62a_100011219619_100011934713 [0,2,0,0,0,0|1,1,0]=4 15140 B15R1.3779 N#Cc1ccc(cc1O)SC[C@@H](O)CO 62a_100009815848_100011934713 [0,2,0,0,0,0|1,1,0]=4 15141 B15R1.3779 N#Cc1ncc(cc1Br)OCC(O)CO 34a_200015293162_100011219619 [0,2,0,0,0,0|2,0,0]=4 15142 B15R1.3779 N#Cc1ncc(cc1Br)OCC(O)CO 7a_200015293162_100011219619 [0,2,0,0,0,0|2,0,0]=4 15143 B15R1.3779 N#Cc1ncc(cc1Br)OC[C@@H](O)CO 34a_200015293162_100009815848 [0,2,0,0,0,0|2,0,0]=4 15144 B15R1.3779 N#Cc1ncc(cc1Br)OC[C@@H](O)CO 7a_200015293162_100009815848 [0,2,0,0,0,0|2,0,0]=4 15145 B15R1.3779 NCc1ccc(cc1Cl)OCC(O)CO 34a_200161156549_100011219619 [0,2,0,0,0,0|1,0,0]=3 15146 B15R1.3779 NCc1ccc(cc1Cl)OC[C@@H](O)CF 34a_200161156549_100015614560 [0,2,0,0,0,0|2,0,0]=4 15147 B15R1.3779 NCc1ccc(cc1Cl)OC[C@@H](O)CO 34a_200161156549_100009815848 [0,2,0,0,0,0|1,0,0]=3 15148 B15R1.3779 NCc1ccc(cc1F)SCC(O)CO 62a_100000754580_100011219619 [0,2,0,0,0,0|1,1,0]=4 15149 B15R1.3779 NCc1ccc(cc1F)SCC(O)CO 62a_100011219619_100000754580 [0,2,0,0,0,0|1,1,0]=4 15150 B15R1.3779 NCc1ccc(cc1F)SC[C@@H](O)CO 62a_100000754580_100009815848 [0,2,0,0,0,0|1,1,0]=4 15151 B15R1.3779 NCc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000754580 [0,2,0,0,0,0|1,1,0]=4 15152 B15R1.3779 NNc1ccc(cc1F)SCC(O)CO 62a_100000751572_100011219619 [0,2,0,0,0,0|1,1,0]=4 15153 B15R1.3779 NNc1ccc(cc1F)SCC(O)CO 62a_100011219619_100000751572 [0,2,0,0,0,0|1,1,0]=4 15154 B15R1.3779 NNc1ccc(cc1F)SC[C@@H](O)CO 62a_100000751572_100009815848 [0,2,0,0,0,0|1,1,0]=4 15155 B15R1.3779 NNc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000751572 [0,2,0,0,0,0|1,1,0]=4 15156 B15R1.3779 Nc1cc(ccc1C=O)SCC(O)CO 62a_100009814810_100011219619 [0,2,0,0,0,0|1,1,0]=4 15157 B15R1.3779 Nc1cc(ccc1C=O)SC[C@@H](O)CO 62a_100009814810_100009815848 [0,2,0,0,0,0|1,1,0]=4 15158 B15R1.3779 Nc1cc(ccc1CO)SCC(O)CO 62a_100000718831_100011219619 [0,2,0,0,0,0|1,1,0]=4 15159 B15R1.3779 Nc1cc(ccc1CO)SCC(O)CO 62a_100011219619_100000718831 [0,2,0,0,0,0|1,1,0]=4 15160 B15R1.3779 Nc1cc(ccc1CO)SC[C@@H](O)CO 62a_100000718831_100009815848 [0,2,0,0,0,0|1,1,0]=4 15161 B15R1.3779 Nc1cc(ccc1CO)SC[C@@H](O)CO 62a_100009815848_100000718831 [0,2,0,0,0,0|1,1,0]=4 15162 B15R1.3779 O=Cc1ccc(cc1Br)SCC(O)CO 62a_100010185650_100011219619 [0,2,0,0,0,0|1,1,0]=4 15163 B15R1.3779 O=Cc1ccc(cc1Br)SCC(O)CO 62a_100011219619_100010185650 [0,2,0,0,0,0|1,1,0]=4 15164 B15R1.3779 O=Cc1ccc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100010185650 [0,2,0,0,0,0|1,1,0]=4 15165 B15R1.3779 O=Cc1ccc(cc1Br)SC[C@@H](O)CO 62a_100010185650_100009815848 [0,2,0,0,0,0|1,1,0]=4 15166 B15R1.3779 O=Cc1ccc(cc1Cl)SCC(O)CO 62a_100000727542_100011219619 [0,2,0,0,0,0|1,1,0]=4 15167 B15R1.3779 O=Cc1ccc(cc1Cl)SCC(O)CO 62a_100011219619_100000727542 [0,2,0,0,0,0|1,1,0]=4 15168 B15R1.3779 O=Cc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100000727542_100009815848 [0,2,0,0,0,0|1,1,0]=4 15169 B15R1.3779 O=Cc1ccc(cc1Cl)SC[C@@H](O)CO 62a_100009815848_100000727542 [0,2,0,0,0,0|1,1,0]=4 15170 B15R1.3779 O=Cc1ccc(cc1F)SCC(O)CO 62a_100000211676_100011219619 [0,2,0,0,0,0|1,1,0]=4 15171 B15R1.3779 O=Cc1ccc(cc1F)SCC(O)CO 62a_100011219619_100000211676 [0,2,0,0,0,0|1,1,0]=4 15172 B15R1.3779 O=Cc1ccc(cc1F)SC[C@@H](O)CO 62a_100000211676_100009815848 [0,2,0,0,0,0|1,1,0]=4 15173 B15R1.3779 O=Cc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000211676 [0,2,0,0,0,0|1,1,0]=4 15174 B15R1.3779 O=Cc1ccc(cc1O)SCC(O)CO 62a_100011219619_100011277552 [0,2,0,0,0,0|1,1,0]=4 15175 B15R1.3779 O=Cc1ccc(cc1O)SCC(O)CO 62a_100011277552_100011219619 [0,2,0,0,0,0|1,1,0]=4 15176 B15R1.3779 O=Cc1ccc(cc1O)SC[C@@H](O)CO 62a_100009815848_100011277552 [0,2,0,0,0,0|1,1,0]=4 15177 B15R1.3779 O=Cc1ccc(cc1O)SC[C@@H](O)CO 62a_100011277552_100009815848 [0,2,0,0,0,0|1,1,0]=4 15178 B15R1.3779 OCc1ccc(cc1Br)OCC(O)CO 34a_100010146404_100011219619 [0,2,0,0,0,0|1,0,0]=3 15179 B15R1.3779 OCc1ccc(cc1Br)OCC(O)CO 7a_100010146404_100011219619 [0,2,0,0,0,0|1,0,0]=3 15180 B15R1.3779 OCc1ccc(cc1Br)OC[C@@H](O)CF 34a_100010146404_100015614560 [0,2,0,0,0,0|2,0,0]=4 15181 B15R1.3779 OCc1ccc(cc1Br)OC[C@@H](O)CF 7a_100010146404_100015614560 [0,2,0,0,0,0|2,0,0]=4 15182 B15R1.3779 OCc1ccc(cc1Br)OC[C@@H](O)CO 34a_100010146404_100009815848 [0,2,0,0,0,0|1,0,0]=3 15183 B15R1.3779 OCc1ccc(cc1Br)OC[C@@H](O)CO 7a_100010146404_100009815848 [0,2,0,0,0,0|1,0,0]=3 15184 B15R1.3779 OCc1ccc(cc1Br)SCC(O)CO 62a_100010240206_100011219619 [0,2,0,0,0,0|1,1,0]=4 15185 B15R1.3779 OCc1ccc(cc1Br)SCC(O)CO 62a_100011219619_100010240206 [0,2,0,0,0,0|1,1,0]=4 15186 B15R1.3779 OCc1ccc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100010240206 [0,2,0,0,0,0|1,1,0]=4 15187 B15R1.3779 OCc1ccc(cc1Br)SC[C@@H](O)CO 62a_100010240206_100009815848 [0,2,0,0,0,0|1,1,0]=4 15188 B15R1.3779 OCc1ccc(cc1Cl)NCC(O)CO 34a_100000689119_100011219619 [0,2,0,0,0,0|2,0,0]=4 15189 B15R1.3779 OCc1ccc(cc1Cl)NC[C@@H](O)CO 34a_100000689119_100009815848 [0,2,0,0,0,0|2,0,0]=4 15190 B15R1.3779 OCc1ccc(cc1Cl)OCC(O)CO 34a_200000075811_100011219619 [0,2,0,0,0,0|1,0,0]=3 15191 B15R1.3779 OCc1ccc(cc1Cl)OCC(O)CO 7a_200000075811_100011219619 [0,2,0,0,0,0|1,0,0]=3 15192 B15R1.3779 OCc1ccc(cc1Cl)OC[C@@H](O)CF 34a_200000075811_100015614560 [0,2,0,0,0,0|2,0,0]=4 15193 B15R1.3779 OCc1ccc(cc1Cl)OC[C@@H](O)CF 7a_200000075811_100015614560 [0,2,0,0,0,0|2,0,0]=4 15194 B15R1.3779 OCc1ccc(cc1Cl)OC[C@@H](O)CO 34a_200000075811_100009815848 [0,2,0,0,0,0|1,0,0]=3 15195 B15R1.3779 OCc1ccc(cc1Cl)OC[C@@H](O)CO 7a_200000075811_100009815848 [0,2,0,0,0,0|1,0,0]=3 15196 B15R1.3779 OCc1ccc(cc1F)OCC(O)CO 34a_100000084598_100011219619 [0,2,0,0,0,0|1,0,0]=3 15197 B15R1.3779 OCc1ccc(cc1F)OCC(O)CO 7a_100000084598_100011219619 [0,2,0,0,0,0|1,0,0]=3 15198 B15R1.3779 OCc1ccc(cc1F)OC[C@@H](O)CF 34a_100000084598_100015614560 [0,2,0,0,0,0|2,0,0]=4 15199 B15R1.3779 OCc1ccc(cc1F)OC[C@@H](O)CF 7a_100000084598_100015614560 [0,2,0,0,0,0|2,0,0]=4 15200 B15R1.3779 OCc1ccc(cc1F)OC[C@@H](O)CO 34a_100000084598_100009815848 [0,2,0,0,0,0|1,0,0]=3 15201 B15R1.3779 OCc1ccc(cc1F)OC[C@@H](O)CO 7a_100000084598_100009815848 [0,2,0,0,0,0|1,0,0]=3 15202 B15R1.3779 OCc1ccc(cc1F)SCC(O)CO 62a_100011191541_100011219619 [0,2,0,0,0,0|1,1,0]=4 15203 B15R1.3779 OCc1ccc(cc1F)SCC(O)CO 62a_100011219619_100011191541 [0,2,0,0,0,0|1,1,0]=4 15204 B15R1.3779 OCc1ccc(cc1F)SC[C@@H](O)CO 62a_100009815848_100011191541 [0,2,0,0,0,0|1,1,0]=4 15205 B15R1.3779 OCc1ccc(cc1F)SC[C@@H](O)CO 62a_100011191541_100009815848 [0,2,0,0,0,0|1,1,0]=4 15206 B15R1.3779 OCc1ccc(cc1O)SCC(O)CO 62a_100000071718_100011219619 [0,2,0,0,0,0|1,1,0]=4 15207 B15R1.3779 OCc1ccc(cc1O)SCC(O)CO 62a_100011219619_100000071718 [0,2,0,0,0,0|1,1,0]=4 15208 B15R1.3779 OCc1ccc(cc1O)SC[C@@H](O)CO 62a_100000071718_100009815848 [0,2,0,0,0,0|1,1,0]=4 15209 B15R1.3779 OCc1ccc(cc1O)SC[C@@H](O)CO 62a_100009815848_100000071718 [0,2,0,0,0,0|1,1,0]=4 15210 B15R1.6314 C=Cc1ccc(cc1)OCC(C)(C)CO 34a_100000189437_100009813988 [0,2,0,0,0,0|2,0,0]=4 15211 B15R1.6314 C=Cc1ccc(cc1)OCC(C)(C)CO 7a_100000189437_100009813988 [0,2,0,0,0,0|2,0,0]=4 15212 B15R1.6314 CC(C)(CO)COc1ccc(cc1)C#N 34a_100000210344_100009813988 [0,2,0,0,0,0|2,0,0]=4 15213 B15R1.6314 CC(C)(CO)COc1ccc(cc1)C#N 7a_100000210344_100009813988 [0,2,0,0,0,0|2,0,0]=4 15214 B15R1.6314 CC(C)(CO)COc1ccc(cc1)CN 34a_100000185549_100009813988 [0,2,0,0,0,0|2,0,0]=4 15215 B15R1.6314 CC(C)(CO)COc1ccc(cc1)CO 34a_100000211755_100009813988 [0,2,0,0,0,0|2,0,0]=4 15216 B15R1.6314 CCc1ccc(cc1)OCC(C)(C)CO 34a_100000211359_100009813988 [0,2,0,0,0,0|2,0,0]=4 15217 B15R1.6314 CCc1ccc(cc1)OCC(C)(C)CO 7a_100000211359_100009813988 [0,2,0,0,0,0|2,0,0]=4 15218 B15R1.6314 CNc1ccc(cc1)OCC(C)(C)CO 34a_100000182112_100009813988 [0,2,0,0,0,0|2,0,0]=4 15219 B15R1.6314 COc1ccc(cc1)OCC(C)(C)CO 34a_100000210503_100009813988 [0,2,0,0,0,0|2,0,0]=4 15220 B15R1.6314 CSc1ccc(cc1)OCC(C)(C)CO 34a_100000211864_100009813988 [0,2,0,0,0,0|2,0,0]=4 15221 B15R1.23 CN(C[C@@H](O)CC#N)c1ccc(cc1)Cl 2230a_100020629279_100000001066 [0,2,0,0,0,0|2,0,0]=4 15222 B15R1.23 COCC(O)CN(C)c1ccc(cc1)Br 34a_100000219623_100011215053 [0,2,0,0,0,0|1,1,0]=4 15223 B15R1.23 COCC(O)CN(C)c1ccc(cc1)C 34a_100000219977_100011215053 [0,2,0,0,0,0|2,0,0]=4 15224 B15R1.23 COCC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011215053 [0,2,0,0,0,0|1,0,0]=3 15225 B15R1.23 COCC(O)CN(C)c1ccc(cc1)F 34a_100000219829_100011215053 [0,2,0,0,0,0|1,1,0]=4 15226 B15R1.23 COCC(O)CN(C)c1ccc(cc1)I 34a_100000743151_100011215053 [0,2,0,0,0,0|1,1,0]=4 15227 B15R1.23 COCC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011215053 [0,2,0,0,0,0|2,0,0]=4 15228 B15R1.46 CC(NC(CO)CO)c1ccc(cc1)Cl 2230a_100000759517_100000684792 [0,2,0,0,0,0|2,0,0]=4 15229 B15R1.46 O=C(NC(CO)CO)c1ccc(cc1)Cl 240690a_100000759517_100000210187 [0,2,0,0,0,0|2,0,0]=4 15230 B15R1.46 O=C(NC(CO)CO)c1ccc(cc1)Cl 527a_100000759517_100000210187 [0,2,0,0,0,0|2,0,0]=4 15231 B15R1.75 CC(C(=O)C(O)CO)c1ccc(cc1)Cl 1458a_100011215603_100000684792 [0,2,0,0,0,0|1,0,1]=4 15232 B15R1.75 CN(C(=O)C(O)CO)c1ccc(cc1)Cl 22a_100020629279_100011215603 [0,2,0,0,0,0|1,0,1]=4 15233 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)Cl 34a_100020629279_100009813988 [0,2,0,0,0,0|2,0,0]=4 15234 B15R1.758 CCC(O)CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011218378 [0,2,0,0,0,0|2,0,0]=4 15235 B15R1.758 CCC(O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100011218378 [0,2,0,0,0,0|2,0,0]=4 15236 B15R1.758 CCC(O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011218378 [0,2,0,0,0,0|2,0,0]=4 15237 B15R1.758 CCC(O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100011218378 [0,2,0,0,0,0|2,0,0]=4 15238 B15R1.758 CCC(O)CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100011218378 [0,2,0,0,0,0|2,0,0]=4 15239 B15R1.758 CCC(O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100011218378 [0,2,0,0,0,0|2,0,0]=4 15240 B15R1.758 CCC(O)CN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100011218378 [0,2,0,0,0,0|2,0,0]=4 15241 B15R1.758 CCC(O)CN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100011218378 [0,2,0,0,0,0|2,0,0]=4 15242 B15R1.758 CCC(O)CN(C)c1ccc(c(c1)C)Cl 34a_114849113799_100011218378 [0,2,0,0,0,0|2,0,0]=4 15243 B15R1.758 CCC(O)CN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100011218378 [0,2,0,0,0,0|2,0,0]=4 15244 B15R1.758 CCC(O)CN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100011218378 [0,2,0,0,0,0|2,0,0]=4 15245 B15R1.758 CCC(O)CN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_100011218378 [0,2,0,0,0,0|2,0,0]=4 15246 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100011219619 [0,2,0,0,0,0|1,0,0]=3 15247 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)Cl)Cl 34a_100000219944_100011219619 [0,2,0,0,0,0|1,0,0]=3 15248 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)Cl)F 2230a_100000697440_100011219619 [0,2,0,0,0,0|1,1,0]=4 15249 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)Cl)F 34a_100000697440_100011219619 [0,2,0,0,0,0|1,1,0]=4 15250 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)Cl)F 7a_100000697440_100011219619 [0,2,0,0,0,0|1,1,0]=4 15251 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)F)Br 2230a_100012285320_100011219619 [0,2,0,0,0,0|1,1,0]=4 15252 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)F)Br 34a_100012285320_100011219619 [0,2,0,0,0,0|1,1,0]=4 15253 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)F)Br 7a_100012285320_100011219619 [0,2,0,0,0,0|1,1,0]=4 15254 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)F)F 2230a_100000221014_100011219619 [0,2,0,0,0,0|1,1,0]=4 15255 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)F)F 34a_100000221014_100011219619 [0,2,0,0,0,0|1,1,0]=4 15256 B15R1.758 CN(CC(O)CO)c1ccc(c(c1)F)F 7a_100000221014_100011219619 [0,2,0,0,0,0|1,1,0]=4 15257 B15R1.758 CN(C[C@@H](O)CF)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100015614560 [0,2,0,0,0,0|2,0,0]=4 15258 B15R1.758 CN(C[C@@H](O)CF)c1ccc(c(c1)Cl)Cl 34a_100000219944_100015614560 [0,2,0,0,0,0|2,0,0]=4 15259 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100009815848 [0,2,0,0,0,0|1,0,0]=3 15260 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)Cl)Cl 34a_100000219944_100009815848 [0,2,0,0,0,0|1,0,0]=3 15261 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)Cl)F 2230a_100000697440_100009815848 [0,2,0,0,0,0|1,1,0]=4 15262 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)Cl)F 34a_100000697440_100009815848 [0,2,0,0,0,0|1,1,0]=4 15263 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)Cl)F 7a_100000697440_100009815848 [0,2,0,0,0,0|1,1,0]=4 15264 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)F)Br 2230a_100012285320_100009815848 [0,2,0,0,0,0|1,1,0]=4 15265 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)F)Br 34a_100012285320_100009815848 [0,2,0,0,0,0|1,1,0]=4 15266 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)F)Br 7a_100012285320_100009815848 [0,2,0,0,0,0|1,1,0]=4 15267 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)F)F 2230a_100000221014_100009815848 [0,2,0,0,0,0|1,1,0]=4 15268 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)F)F 34a_100000221014_100009815848 [0,2,0,0,0,0|1,1,0]=4 15269 B15R1.758 CN(C[C@@H](O)CO)c1ccc(c(c1)F)F 7a_100000221014_100009815848 [0,2,0,0,0,0|1,1,0]=4 15270 B15R1.758 C[C@@H](CO)CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000059175 [0,2,0,0,0,0|2,0,0]=4 15271 B15R1.758 C[C@@H](CO)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000059175 [0,2,0,0,0,0|2,0,0]=4 15272 B15R1.758 C[C@@H](CO)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000059175 [0,2,0,0,0,0|2,0,0]=4 15273 B15R1.758 C[C@@H](CO)CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000059175 [0,2,0,0,0,0|2,0,0]=4 15274 B15R1.758 C[C@@H](CO)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000059175 [0,2,0,0,0,0|2,0,0]=4 15275 B15R1.758 C[C@@H](CO)CN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000059175 [0,2,0,0,0,0|2,0,0]=4 15276 B15R1.758 C[C@@H](CO)CN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000059175 [0,2,0,0,0,0|2,0,0]=4 15277 B15R1.758 C[C@@H](CO)CN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_100000059175 [0,2,0,0,0,0|2,0,0]=4 15278 B15R1.758 Cc1cc(ccc1Br)N(C)CC(O)CO 2230a_100102888905_100011219619 [0,2,0,0,0,0|1,1,0]=4 15279 B15R1.758 Cc1cc(ccc1Br)N(C)CC(O)CO 34a_100102888905_100011219619 [0,2,0,0,0,0|1,1,0]=4 15280 B15R1.758 Cc1cc(ccc1Br)N(C)C[C@@H](O)CO 2230a_100102888905_100009815848 [0,2,0,0,0,0|1,1,0]=4 15281 B15R1.758 Cc1cc(ccc1Br)N(C)C[C@@H](O)CO 34a_100102888905_100009815848 [0,2,0,0,0,0|1,1,0]=4 15282 B15R1.758 Cc1cc(ccc1Cl)C(=O)C[C@@H](C)CO 1458a_100000686306_100000059175 [0,2,0,0,0,0|2,0,0]=4 15283 B15R1.758 Cc1cc(ccc1Cl)N(C)CC(O)CO 2230a_114849113799_100011219619 [0,2,0,0,0,0|1,0,0]=3 15284 B15R1.758 Cc1cc(ccc1Cl)N(C)CC(O)CO 34a_114849113799_100011219619 [0,2,0,0,0,0|1,0,0]=3 15285 B15R1.758 Cc1cc(ccc1Cl)N(C)C[C@@H](C)CO 2230a_114849113799_100000059175 [0,2,0,0,0,0|2,0,0]=4 15286 B15R1.758 Cc1cc(ccc1Cl)N(C)C[C@@H](C)CO 269982a_114849113799_100000059175 [0,2,0,0,0,0|2,0,0]=4 15287 B15R1.758 Cc1cc(ccc1Cl)N(C)C[C@@H](C)CO 34a_114849113799_100000059175 [0,2,0,0,0,0|2,0,0]=4 15288 B15R1.758 Cc1cc(ccc1Cl)N(C)C[C@@H](O)CF 2230a_114849113799_100015614560 [0,2,0,0,0,0|2,0,0]=4 15289 B15R1.758 Cc1cc(ccc1Cl)N(C)C[C@@H](O)CF 34a_114849113799_100015614560 [0,2,0,0,0,0|2,0,0]=4 15290 B15R1.758 Cc1cc(ccc1Cl)N(C)C[C@@H](O)CO 2230a_114849113799_100009815848 [0,2,0,0,0,0|1,0,0]=3 15291 B15R1.758 Cc1cc(ccc1Cl)N(C)C[C@@H](O)CO 34a_114849113799_100009815848 [0,2,0,0,0,0|1,0,0]=3 15292 B15R1.758 Cc1cc(ccc1F)N(C)CC(O)CO 2230a_100011756966_100011219619 [0,2,0,0,0,0|1,1,0]=4 15293 B15R1.758 Cc1cc(ccc1F)N(C)CC(O)CO 34a_100011756966_100011219619 [0,2,0,0,0,0|1,1,0]=4 15294 B15R1.758 Cc1cc(ccc1F)N(C)CC(O)CO 7a_100011756966_100011219619 [0,2,0,0,0,0|1,1,0]=4 15295 B15R1.758 Cc1cc(ccc1F)N(C)C[C@@H](O)CO 2230a_100011756966_100009815848 [0,2,0,0,0,0|1,1,0]=4 15296 B15R1.758 Cc1cc(ccc1F)N(C)C[C@@H](O)CO 34a_100011756966_100009815848 [0,2,0,0,0,0|1,1,0]=4 15297 B15R1.758 Cc1cc(ccc1F)N(C)C[C@@H](O)CO 7a_100011756966_100009815848 [0,2,0,0,0,0|1,1,0]=4 15298 B15R1.758 Cc1ccc(cc1Br)N(C)CC(O)CO 2230a_100000707694_100011219619 [0,2,0,0,0,0|2,0,0]=4 15299 B15R1.758 Cc1ccc(cc1Br)N(C)CC(O)CO 34a_100000707694_100011219619 [0,2,0,0,0,0|2,0,0]=4 15300 B15R1.758 Cc1ccc(cc1Br)N(C)C[C@@H](O)CO 2230a_100000707694_100009815848 [0,2,0,0,0,0|2,0,0]=4 15301 B15R1.758 Cc1ccc(cc1Br)N(C)C[C@@H](O)CO 34a_100000707694_100009815848 [0,2,0,0,0,0|2,0,0]=4 15302 B15R1.758 Cc1ccc(cc1Cl)N(C)CC(O)CO 2230a_100000220120_100011219619 [0,2,0,0,0,0|2,0,0]=4 15303 B15R1.758 Cc1ccc(cc1Cl)N(C)CC(O)CO 34a_100000220120_100011219619 [0,2,0,0,0,0|2,0,0]=4 15304 B15R1.758 Cc1ccc(cc1Cl)N(C)C[C@@H](O)CO 2230a_100000220120_100009815848 [0,2,0,0,0,0|2,0,0]=4 15305 B15R1.758 Cc1ccc(cc1Cl)N(C)C[C@@H](O)CO 34a_100000220120_100009815848 [0,2,0,0,0,0|2,0,0]=4 15306 B15R1.758 Cc1ccc(cc1F)N(C)CC(O)CO 2230a_100160572069_100011219619 [0,2,0,0,0,0|2,0,0]=4 15307 B15R1.758 Cc1ccc(cc1F)N(C)CC(O)CO 34a_100160572069_100011219619 [0,2,0,0,0,0|2,0,0]=4 15308 B15R1.758 Cc1ccc(cc1F)N(C)CC(O)CO 7a_100160572069_100011219619 [0,2,0,0,0,0|2,0,0]=4 15309 B15R1.758 Cc1ccc(cc1F)N(C)C[C@@H](O)CO 2230a_100160572069_100009815848 [0,2,0,0,0,0|2,0,0]=4 15310 B15R1.758 Cc1ccc(cc1F)N(C)C[C@@H](O)CO 34a_100160572069_100009815848 [0,2,0,0,0,0|2,0,0]=4 15311 B15R1.758 Cc1ccc(cc1F)N(C)C[C@@H](O)CO 7a_100160572069_100009815848 [0,2,0,0,0,0|2,0,0]=4 15312 B15R1.3826 CCC(O)CN(CC)c1ccc(cc1)Cl 2230a_100000220165_100011218378 [0,2,0,0,0,0|2,0,0]=4 15313 B15R1.3826 CCC(O)CN(CC)c1ccc(cc1)Cl 269982a_100000220165_100011218378 [0,2,0,0,0,0|2,0,0]=4 15314 B15R1.3826 CCC(O)CN(CC)c1ccc(cc1)Cl 34a_100000220165_100011218378 [0,2,0,0,0,0|2,0,0]=4 15315 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)Br 2230a_100000219632_100011219619 [0,2,0,0,0,0|1,1,0]=4 15316 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)Br 34a_100000219632_100011219619 [0,2,0,0,0,0|1,1,0]=4 15317 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)C 2230a_100000219985_100011219619 [0,2,0,0,0,0|2,0,0]=4 15318 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)C 34a_100000219985_100011219619 [0,2,0,0,0,0|2,0,0]=4 15319 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)Cl 2230a_100000220165_100011219619 [0,2,0,0,0,0|1,0,0]=3 15320 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)Cl 34a_100000220165_100011219619 [0,2,0,0,0,0|1,0,0]=3 15321 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)F 2230a_100102640331_100011219619 [0,2,0,0,0,0|1,1,0]=4 15322 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)F 34a_100102640331_100011219619 [0,2,0,0,0,0|1,1,0]=4 15323 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)O 2230a_100011337800_100011219619 [0,2,0,0,0,0|2,0,0]=4 15324 B15R1.3826 CCN(CC(O)CO)c1ccc(cc1)O 34a_100011337800_100011219619 [0,2,0,0,0,0|2,0,0]=4 15325 B15R1.3826 CCN(C[C@@H](C)CO)c1ccc(cc1)Cl 2230a_100000220165_100000059175 [0,2,0,0,0,0|2,0,0]=4 15326 B15R1.3826 CCN(C[C@@H](C)CO)c1ccc(cc1)Cl 269982a_100000220165_100000059175 [0,2,0,0,0,0|2,0,0]=4 15327 B15R1.3826 CCN(C[C@@H](C)CO)c1ccc(cc1)Cl 34a_100000220165_100000059175 [0,2,0,0,0,0|2,0,0]=4 15328 B15R1.3826 CCN(C[C@@H](O)CF)c1ccc(cc1)Cl 2230a_100000220165_100015614560 [0,2,0,0,0,0|2,0,0]=4 15329 B15R1.3826 CCN(C[C@@H](O)CF)c1ccc(cc1)Cl 34a_100000220165_100015614560 [0,2,0,0,0,0|2,0,0]=4 15330 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)Br 2230a_100000219632_100009815848 [0,2,0,0,0,0|1,1,0]=4 15331 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)Br 34a_100000219632_100009815848 [0,2,0,0,0,0|1,1,0]=4 15332 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)C 2230a_100000219985_100009815848 [0,2,0,0,0,0|2,0,0]=4 15333 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)C 34a_100000219985_100009815848 [0,2,0,0,0,0|2,0,0]=4 15334 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)Cl 2230a_100000220165_100009815848 [0,2,0,0,0,0|1,0,0]=3 15335 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)Cl 34a_100000220165_100009815848 [0,2,0,0,0,0|1,0,0]=3 15336 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)F 2230a_100102640331_100009815848 [0,2,0,0,0,0|1,1,0]=4 15337 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)F 34a_100102640331_100009815848 [0,2,0,0,0,0|1,1,0]=4 15338 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)O 2230a_100011337800_100009815848 [0,2,0,0,0,0|2,0,0]=4 15339 B15R1.3826 CCN(C[C@@H](O)CO)c1ccc(cc1)O 34a_100011337800_100009815848 [0,2,0,0,0,0|2,0,0]=4 15340 B15R1.10256 CCC(O)CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100011218378 [0,2,0,0,0,0|2,0,0]=4 15341 B15R1.10256 CCC(O)CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100011218378 [0,2,0,0,0,0|2,0,0]=4 15342 B15R1.10256 CCC(O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100011218378 [0,2,0,0,0,0|2,0,0]=4 15343 B15R1.10256 CCC(O)CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100011218378 [0,2,0,0,0,0|2,0,0]=4 15344 B15R1.10256 CCC(O)CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100011218378 [0,2,0,0,0,0|2,0,0]=4 15345 B15R1.10256 CCC(O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100011218378 [0,2,0,0,0,0|2,0,0]=4 15346 B15R1.10256 CCC(O)CN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100011218378 [0,2,0,0,0,0|2,0,0]=4 15347 B15R1.10256 CCC(O)CN(C)c1ccc(cc1Br)Cl 34a_100020633009_100011218378 [0,2,0,0,0,0|2,0,0]=4 15348 B15R1.10256 CCC(O)CN(C)c1ccc(cc1C)Cl 2230a_114849113698_100011218378 [0,2,0,0,0,0|2,0,0]=4 15349 B15R1.10256 CCC(O)CN(C)c1ccc(cc1C)Cl 269982a_114849113698_100011218378 [0,2,0,0,0,0|2,0,0]=4 15350 B15R1.10256 CCC(O)CN(C)c1ccc(cc1C)Cl 34a_114849113698_100011218378 [0,2,0,0,0,0|2,0,0]=4 15351 B15R1.10256 CCC(O)CN(C)c1ccc(cc1C)Cl 38a_114849113698_100011218378 [0,2,0,0,0,0|2,0,0]=4 15352 B15R1.10256 CCC(O)CN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100011218378 [0,2,0,0,0,0|2,0,0]=4 15353 B15R1.10256 CCC(O)CN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100011218378 [0,2,0,0,0,0|2,0,0]=4 15354 B15R1.10256 CN(CC(O)CO)c1ccc(cc1Br)Br 34a_200000221195_100011219619 [0,2,0,0,0,0|1,1,0]=4 15355 B15R1.10256 CN(CC(O)CO)c1ccc(cc1Br)Cl 34a_100020633009_100011219619 [0,2,0,0,0,0|1,0,0]=3 15356 B15R1.10256 CN(CC(O)CO)c1ccc(cc1Br)F 34a_100011246292_100011219619 [0,2,0,0,0,0|1,1,0]=4 15357 B15R1.10256 CN(CC(O)CO)c1ccc(cc1Cl)Br 34a_100000221650_100011219619 [0,2,0,0,0,0|1,1,0]=4 15358 B15R1.10256 CN(CC(O)CO)c1ccc(cc1Cl)Cl 34a_114849113696_100011219619 [0,2,0,0,0,0|1,0,0]=3 15359 B15R1.10256 CN(CC(O)CO)c1ccc(cc1F)Br 2230a_100000743884_100011219619 [0,2,0,0,0,0|1,1,0]=4 15360 B15R1.10256 CN(CC(O)CO)c1ccc(cc1F)Br 34a_100000743884_100011219619 [0,2,0,0,0,0|1,1,0]=4 15361 B15R1.10256 CN(CC(O)CO)c1ccc(cc1F)F 2230a_100020633734_100011219619 [0,2,0,0,0,0|1,1,0]=4 15362 B15R1.10256 CN(CC(O)CO)c1ccc(cc1F)F 34a_100020633734_100011219619 [0,2,0,0,0,0|1,1,0]=4 15363 B15R1.10256 CN(CC(O)CO)c1ccc(cc1F)I 34a_114948340911_100011219619 [0,2,0,0,0,0|1,1,0]=4 15364 B15R1.10256 CN(C[C@@H](O)CF)c1ccc(cc1Br)Cl 34a_100020633009_100015614560 [0,2,0,0,0,0|2,0,0]=4 15365 B15R1.10256 CN(C[C@@H](O)CF)c1ccc(cc1Cl)Cl 34a_114849113696_100015614560 [0,2,0,0,0,0|2,0,0]=4 15366 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1Br)Br 34a_200000221195_100009815848 [0,2,0,0,0,0|1,1,0]=4 15367 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1Br)Cl 34a_100020633009_100009815848 [0,2,0,0,0,0|1,0,0]=3 15368 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1Br)F 34a_100011246292_100009815848 [0,2,0,0,0,0|1,1,0]=4 15369 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1Cl)Br 34a_100000221650_100009815848 [0,2,0,0,0,0|1,1,0]=4 15370 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1Cl)Cl 34a_114849113696_100009815848 [0,2,0,0,0,0|1,0,0]=3 15371 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1F)Br 2230a_100000743884_100009815848 [0,2,0,0,0,0|1,1,0]=4 15372 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1F)Br 34a_100000743884_100009815848 [0,2,0,0,0,0|1,1,0]=4 15373 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1F)F 2230a_100020633734_100009815848 [0,2,0,0,0,0|1,1,0]=4 15374 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1F)F 34a_100020633734_100009815848 [0,2,0,0,0,0|1,1,0]=4 15375 B15R1.10256 CN(C[C@@H](O)CO)c1ccc(cc1F)I 34a_114948340911_100009815848 [0,2,0,0,0,0|1,1,0]=4 15376 B15R1.10256 C[C@@H](CO)CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000059175 [0,2,0,0,0,0|2,0,0]=4 15377 B15R1.10256 C[C@@H](CO)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000059175 [0,2,0,0,0,0|2,0,0]=4 15378 B15R1.10256 C[C@@H](CO)CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000059175 [0,2,0,0,0,0|2,0,0]=4 15379 B15R1.10256 C[C@@H](CO)CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000059175 [0,2,0,0,0,0|2,0,0]=4 15380 B15R1.10256 C[C@@H](CO)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000059175 [0,2,0,0,0,0|2,0,0]=4 15381 B15R1.10256 C[C@@H](CO)CN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000059175 [0,2,0,0,0,0|2,0,0]=4 15382 B15R1.10256 C[C@@H](CO)CN(C)c1ccc(cc1Br)Cl 34a_100020633009_100000059175 [0,2,0,0,0,0|2,0,0]=4 15383 B15R1.10256 C[C@@H](CO)CN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000059175 [0,2,0,0,0,0|2,0,0]=4 15384 B15R1.10256 C[C@@H](CO)CN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000059175 [0,2,0,0,0,0|2,0,0]=4 15385 B15R1.10256 Cc1cc(ccc1C(=O)C[C@@H](C)CO)Cl 1458a_100000688705_100000059175 [0,2,0,0,0,0|2,0,0]=4 15386 B15R1.10256 Cc1cc(ccc1N(C)CC(O)CO)Br 2230a_100000221803_100011219619 [0,2,0,0,0,0|1,1,0]=4 15387 B15R1.10256 Cc1cc(ccc1N(C)CC(O)CO)Br 34a_100000221803_100011219619 [0,2,0,0,0,0|1,1,0]=4 15388 B15R1.10256 Cc1cc(ccc1N(C)CC(O)CO)Cl 2230a_114849113698_100011219619 [0,2,0,0,0,0|1,0,0]=3 15389 B15R1.10256 Cc1cc(ccc1N(C)CC(O)CO)Cl 34a_114849113698_100011219619 [0,2,0,0,0,0|1,0,0]=3 15390 B15R1.10256 Cc1cc(ccc1N(C)CC(O)CO)O 34a_100161107805_100011219619 [0,2,0,0,0,0|2,0,0]=4 15391 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](C)CO)Cl 2230a_114849113698_100000059175 [0,2,0,0,0,0|2,0,0]=4 15392 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](C)CO)Cl 269982a_114849113698_100000059175 [0,2,0,0,0,0|2,0,0]=4 15393 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](C)CO)Cl 34a_114849113698_100000059175 [0,2,0,0,0,0|2,0,0]=4 15394 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](C)CO)Cl 38a_114849113698_100000059175 [0,2,0,0,0,0|2,0,0]=4 15395 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](O)CF)Cl 2230a_114849113698_100015614560 [0,2,0,0,0,0|2,0,0]=4 15396 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](O)CF)Cl 34a_114849113698_100015614560 [0,2,0,0,0,0|2,0,0]=4 15397 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](O)CO)Br 2230a_100000221803_100009815848 [0,2,0,0,0,0|1,1,0]=4 15398 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](O)CO)Br 34a_100000221803_100009815848 [0,2,0,0,0,0|1,1,0]=4 15399 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](O)CO)Cl 2230a_114849113698_100009815848 [0,2,0,0,0,0|1,0,0]=3 15400 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](O)CO)Cl 34a_114849113698_100009815848 [0,2,0,0,0,0|1,0,0]=3 15401 B15R1.10256 Cc1cc(ccc1N(C)C[C@@H](O)CO)O 34a_100161107805_100009815848 [0,2,0,0,0,0|2,0,0]=4 15402 B15R1.10256 Cc1ccc(c(c1)Br)N(C)CC(O)CO 2230a_100000221369_100011219619 [0,2,0,0,0,0|2,0,0]=4 15403 B15R1.10256 Cc1ccc(c(c1)Br)N(C)CC(O)CO 34a_100000221369_100011219619 [0,2,0,0,0,0|2,0,0]=4 15404 B15R1.10256 Cc1ccc(c(c1)Br)N(C)C[C@@H](O)CO 2230a_100000221369_100009815848 [0,2,0,0,0,0|2,0,0]=4 15405 B15R1.10256 Cc1ccc(c(c1)Br)N(C)C[C@@H](O)CO 34a_100000221369_100009815848 [0,2,0,0,0,0|2,0,0]=4 15406 B15R1.48 CC(Oc1ccc(cc1)Cl)C(=O)CCO 1458a_100000184027_100000211926 [0,2,0,0,0,0|0,0,2]=4 15407 B15R1.647 COC(OC)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100011222894 [0,2,0,0,0,0|2,0,0]=4 15408 B15R1.5521 Cc1cc(ccc1Cl)CC(=O)C(O)CO 1458a_100011215603_100012184735 [0,2,0,0,0,0|1,0,1]=4 15409 B15R1.5521 Cc1cc(ccc1Cl)NC(=O)C(O)CO 22a_100000187808_100011215603 [0,2,0,0,0,0|1,0,1]=4 15410 B15R1.5521 O=C(Cc1ccc(c(c1)Br)Cl)C(O)CO 1458a_100011215603_100012353894 [0,2,0,0,0,0|1,0,1]=4 15411 B15R1.5521 O=C(Cc1ccc(c(c1)Cl)Cl)C(O)CO 1458a_100011215603_100000184707 [0,2,0,0,0,0|1,0,1]=4 15412 B15R1.5521 O=C(Cc1ccc(c(c1)F)Cl)C(O)CO 1458a_100011215603_100000716492 [0,2,0,0,0,0|1,0,1]=4 15413 B15R1.5521 O=C(Nc1ccc(c(c1)Br)Cl)C(O)CO 22a_100000686031_100011215603 [0,2,0,0,0,0|1,0,1]=4 15414 B15R1.5521 O=C(Nc1ccc(c(c1)Cl)Cl)C(O)CO 22a_100000184108_100011215603 [0,2,0,0,0,0|1,0,1]=4 15415 B15R1.5521 O=C(Nc1ccc(c(c1)F)Cl)C(O)CO 22a_100000739366_100011215603 [0,2,0,0,0,0|1,0,1]=4 15416 B15R1.5521 O=C(Nc1ccc(c(c1)I)Cl)C(O)CO 22a_100012360549_100011215603 [0,2,0,0,0,0|1,0,1]=4 15417 B15R1.5521 O=C(Nc1ccc(c(c1)O)Cl)C(O)CO 22a_100011934209_100011215603 [0,2,0,0,0,0|1,0,1]=4 15418 B15R1.14339 Cc1cc(ccc1CC(=O)C(O)CO)Cl 1458a_100011215603_100012361307 [0,2,0,0,0,0|1,0,1]=4 15419 B15R1.14339 Cc1cc(ccc1NC(=O)C(O)CO)Cl 22a_100000210418_100011215603 [0,2,0,0,0,0|1,0,1]=4 15420 B15R1.14339 O=C(Cc1ccc(cc1Br)Cl)C(O)CO 1458a_100011215603_100000755608 [0,2,0,0,0,0|1,0,1]=4 15421 B15R1.14339 O=C(Cc1ccc(cc1Cl)Cl)C(O)CO 1458a_100011215603_100000188473 [0,2,0,0,0,0|1,0,1]=4 15422 B15R1.14339 O=C(Cc1ccc(cc1F)Cl)C(O)CO 1458a_100011215603_100000709361 [0,2,0,0,0,0|1,0,1]=4 15423 B15R1.14339 O=C(Cc1ccc(cc1I)Cl)C(O)CO 1458a_100011215603_100010254388 [0,2,0,0,0,0|1,0,1]=4 15424 B15R1.14339 O=C(Nc1ccc(cc1Cl)Cl)C(O)CO 22a_100000185861_100011215603 [0,2,0,0,0,0|1,0,1]=4 15425 B15R1.14339 O=C(Nc1ccc(cc1F)Cl)C(O)CO 22a_100000211020_100011215603 [0,2,0,0,0,0|1,0,1]=4 15426 B15R1.14339 O=C(Nc1ccc(cc1O)Cl)C(O)CO 22a_100000185728_100011215603 [0,2,0,0,0,0|1,0,1]=4 15427 B15R1.326 CC(C)(CO)CNc1ccc(cc1Br)Cl 34a_100000752454_100009813988 [0,2,0,0,0,0|2,0,0]=4 15428 B15R1.326 CC(C)(CO)CNc1ccc(cc1Cl)Cl 34a_100000185861_100009813988 [0,2,0,0,0,0|2,0,0]=4 15429 B15R1.326 CC(C)(CO)CNc1ccc(cc1F)Cl 34a_100000211020_100009813988 [0,2,0,0,0,0|2,0,0]=4 15430 B15R1.326 CC(C)(CO)CNc1ccc(cc1I)Cl 34a_100000761889_100009813988 [0,2,0,0,0,0|2,0,0]=4 15431 B15R1.326 CC(C)(CO)CNc1ccc(cc1O)Cl 34a_100000185728_100009813988 [0,2,0,0,0,0|2,0,0]=4 15432 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)Br 34a_100000188717_100009813988 [0,2,0,0,0,0|1,1,0]=4 15433 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)Br 7a_100000188717_100009813988 [0,2,0,0,0,0|1,1,0]=4 15434 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)Cl 34a_100000211998_100009813988 [0,2,0,0,0,0|1,0,0]=3 15435 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)Cl 7a_100000211998_100009813988 [0,2,0,0,0,0|1,0,0]=3 15436 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)F 34a_100000211999_100009813988 [0,2,0,0,0,0|1,1,0]=4 15437 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)F 7a_100000211999_100009813988 [0,2,0,0,0,0|1,1,0]=4 15438 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)I 34a_100012361655_100009813988 [0,2,0,0,0,0|1,1,0]=4 15439 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)I 7a_100012361655_100009813988 [0,2,0,0,0,0|1,1,0]=4 15440 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)N 34a_100011534360_100009813988 [0,2,0,0,0,0|2,0,0]=4 15441 B15R1.326 CC(C)(CO)COc1ccc(cc1Br)N 7a_100011534360_100009813988 [0,2,0,0,0,0|2,0,0]=4 15442 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)Br 34a_100000186472_100009813988 [0,2,0,0,0,0|1,1,0]=4 15443 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)Br 7a_100000186472_100009813988 [0,2,0,0,0,0|1,1,0]=4 15444 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)Cl 34a_100015191787_100009813988 [0,2,0,0,0,0|1,0,0]=3 15445 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)Cl 7a_100015191787_100009813988 [0,2,0,0,0,0|1,0,0]=3 15446 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)F 34a_100000212004_100009813988 [0,2,0,0,0,0|1,1,0]=4 15447 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)F 7a_100000212004_100009813988 [0,2,0,0,0,0|1,1,0]=4 15448 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)I 34a_100012360047_100009813988 [0,2,0,0,0,0|1,1,0]=4 15449 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)I 7a_100012360047_100009813988 [0,2,0,0,0,0|1,1,0]=4 15450 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)N 34a_100000744943_100009813988 [0,2,0,0,0,0|2,0,0]=4 15451 B15R1.326 CC(C)(CO)COc1ccc(cc1Cl)N 7a_100000744943_100009813988 [0,2,0,0,0,0|2,0,0]=4 15452 B15R1.326 CC(C)(CO)COc1ccc(cc1F)Br 34a_100000185481_100009813988 [0,2,0,0,0,0|1,1,0]=4 15453 B15R1.326 CC(C)(CO)COc1ccc(cc1F)Br 7a_100000185481_100009813988 [0,2,0,0,0,0|1,1,0]=4 15454 B15R1.326 CC(C)(CO)COc1ccc(cc1F)Cl 34a_100000230166_100009813988 [0,2,0,0,0,0|1,0,0]=3 15455 B15R1.326 CC(C)(CO)COc1ccc(cc1F)Cl 7a_100000230166_100009813988 [0,2,0,0,0,0|1,0,0]=3 15456 B15R1.326 CC(C)(CO)COc1ccc(cc1F)F 34a_100000230127_100009813988 [0,2,0,0,0,0|1,1,0]=4 15457 B15R1.326 CC(C)(CO)COc1ccc(cc1F)F 7a_100000230127_100009813988 [0,2,0,0,0,0|1,1,0]=4 15458 B15R1.326 CC(C)(CO)COc1ccc(cc1F)I 34a_100011356965_100009813988 [0,2,0,0,0,0|1,1,0]=4 15459 B15R1.326 CC(C)(CO)COc1ccc(cc1F)I 7a_100011356965_100009813988 [0,2,0,0,0,0|1,1,0]=4 15460 B15R1.326 CC(C)(CO)COc1ccc(cc1F)N 34a_100011220035_100009813988 [0,2,0,0,0,0|2,0,0]=4 15461 B15R1.326 CC(C)(CO)COc1ccc(cc1F)N 7a_100011220035_100009813988 [0,2,0,0,0,0|2,0,0]=4 15462 B15R1.326 CC(C)(CO)COc1ccc(cc1I)Br 34a_100012355227_100009813988 [0,2,0,0,0,0|1,1,0]=4 15463 B15R1.326 CC(C)(CO)COc1ccc(cc1I)Br 7a_100012355227_100009813988 [0,2,0,0,0,0|1,1,0]=4 15464 B15R1.326 CC(C)(CO)COc1ccc(cc1I)Cl 34a_100011356953_100009813988 [0,2,0,0,0,0|1,0,0]=3 15465 B15R1.326 CC(C)(CO)COc1ccc(cc1I)Cl 7a_100011356953_100009813988 [0,2,0,0,0,0|1,0,0]=3 15466 B15R1.326 CC(C)(CO)COc1ccc(cc1I)F 34a_100012355409_100009813988 [0,2,0,0,0,0|1,1,0]=4 15467 B15R1.326 CC(C)(CO)COc1ccc(cc1I)F 7a_100012355409_100009813988 [0,2,0,0,0,0|1,1,0]=4 15468 B15R1.326 CC(C)(CO)COc1ccc(cc1I)I 7a_100010001573_100009813988 [0,2,0,0,0,0|1,1,0]=4 15469 B15R1.326 CC(C)(CO)COc1ccc(cc1N)Br 34a_100000752626_100009813988 [0,2,0,0,0,0|1,1,0]=4 15470 B15R1.326 CC(C)(CO)COc1ccc(cc1N)Br 7a_100000752626_100009813988 [0,2,0,0,0,0|1,1,0]=4 15471 B15R1.326 CC(C)(CO)COc1ccc(cc1N)Cl 34a_100000210500_100009813988 [0,2,0,0,0,0|1,0,0]=3 15472 B15R1.326 CC(C)(CO)COc1ccc(cc1N)Cl 7a_100000210500_100009813988 [0,2,0,0,0,0|1,0,0]=3 15473 B15R1.326 CC(C)(CO)COc1ccc(cc1N)F 34a_100000759472_100009813988 [0,2,0,0,0,0|1,1,0]=4 15474 B15R1.326 CC(C)(CO)COc1ccc(cc1N)F 7a_100000759472_100009813988 [0,2,0,0,0,0|1,1,0]=4 15475 B15R1.326 CC(C)(CO)COc1ccc(cc1N)I 34a_100000753495_100009813988 [0,2,0,0,0,0|1,1,0]=4 15476 B15R1.326 CC(C)(CO)COc1ccc(cc1N)I 7a_100000753495_100009813988 [0,2,0,0,0,0|1,1,0]=4 15477 B15R1.326 CC(C)(CO)COc1ccc(cc1N)N 34a_100000725306_100009813988 [0,2,0,0,0,0|2,0,0]=4 15478 B15R1.326 CC(C)(CO)COc1ccc(nc1Br)Cl 34a_100010219353_100009813988 [0,2,0,0,0,0|2,0,0]=4 15479 B15R1.326 CC(C)(CO)COc1ccc(nc1Br)Cl 7a_100010219353_100009813988 [0,2,0,0,0,0|2,0,0]=4 15480 B15R1.326 CC(C)(CO)COc1ccc(nc1Cl)Cl 34a_100000101165_100009813988 [0,2,0,0,0,0|2,0,0]=4 15481 B15R1.326 CC(C)(CO)COc1ccc(nc1Cl)Cl 7a_100000101165_100009813988 [0,2,0,0,0,0|2,0,0]=4 15482 B15R1.326 CC(C)(CO)COc1ccc(nc1F)Cl 34a_100009880201_100009813988 [0,2,0,0,0,0|2,0,0]=4 15483 B15R1.326 CC(C)(CO)COc1ccc(nc1F)Cl 7a_100009880201_100009813988 [0,2,0,0,0,0|2,0,0]=4 15484 B15R1.326 CC(C)(CO)COc1ccc(nc1I)Cl 34a_100000696390_100009813988 [0,2,0,0,0,0|2,0,0]=4 15485 B15R1.326 CC(C)(CO)COc1ccc(nc1I)Cl 7a_100000696390_100009813988 [0,2,0,0,0,0|2,0,0]=4 15486 B15R1.326 CC(C)(CO)COc1ccc(nc1N)Cl 34a_100000717809_100009813988 [0,2,0,0,0,0|2,0,0]=4 15487 B15R1.326 CC(C)(CO)COc1ccc(nc1N)Cl 7a_100000717809_100009813988 [0,2,0,0,0,0|2,0,0]=4 15488 B15R1.326 CC(C)(CO)COc1cnc(cc1Cl)Cl 34a_100009868576_100009813988 [0,2,0,0,0,0|2,0,0]=4 15489 B15R1.326 CC(C)(CO)COc1cnc(cc1Cl)Cl 7a_100009868576_100009813988 [0,2,0,0,0,0|2,0,0]=4 15490 B15R1.326 CC(C)(CO)COc1cnc(cc1I)Cl 34a_100000698892_100009813988 [0,2,0,0,0,0|2,0,0]=4 15491 B15R1.326 CC(C)(CO)COc1cnc(cc1I)Cl 7a_100000698892_100009813988 [0,2,0,0,0,0|2,0,0]=4 15492 B15R1.326 CC(C)(CO)COc1ncc(cc1F)Cl 34a_100011998252_100009813988 [0,2,0,0,0,0|2,0,0]=4 15493 B15R1.326 CC(C)(CO)COc1ncc(cc1N)Cl 34a_100011998249_100009813988 [0,2,0,0,0,0|2,0,0]=4 15494 B15R1.326 CC(C)(CO)CSc1ccc(cc1Br)Cl 62a_100009813988_100011219703 [0,2,0,0,0,0|1,1,0]=4 15495 B15R1.326 CC(C)(CO)CSc1ccc(cc1Br)Cl 62a_100011219703_100009813988 [0,2,0,0,0,0|1,1,0]=4 15496 B15R1.326 CC(C)(CO)CSc1ccc(cc1Cl)Cl 62a_100000699841_100009813988 [0,2,0,0,0,0|1,1,0]=4 15497 B15R1.326 CC(C)(CO)CSc1ccc(cc1Cl)Cl 62a_100009813988_100000699841 [0,2,0,0,0,0|1,1,0]=4 15498 B15R1.326 CC(C)(CO)CSc1ccc(cc1F)Cl 62a_100009813988_100011216042 [0,2,0,0,0,0|1,1,0]=4 15499 B15R1.326 CC(C)(CO)CSc1ccc(cc1F)Cl 62a_100011216042_100009813988 [0,2,0,0,0,0|1,1,0]=4 15500 B15R1.326 CC(C)(CO)CSc1ccc(cc1N)Cl 62a_100000761886_100009813988 [0,2,0,0,0,0|1,1,0]=4 15501 B15R1.326 CC(C)(CO)CSc1ccc(cc1N)Cl 62a_100009813988_100000761886 [0,2,0,0,0,0|1,1,0]=4 15502 B15R1.326 CC(C)(CO)CSc1ccc(cc1O)Cl 62a_100000050036_100009813988 [0,2,0,0,0,0|1,1,0]=4 15503 B15R1.326 CC(C)(CO)CSc1ccc(cc1O)Cl 62a_100009813988_100000050036 [0,2,0,0,0,0|1,1,0]=4 15504 B15R1.326 Cc1cc(ccc1NCC(C)(C)CO)Cl 34a_100000210418_100009813988 [0,2,0,0,0,0|2,0,0]=4 15505 B15R1.326 Cc1cc(ccc1NCC(C)(C)CO)Cl 7a_100000210418_100009813988 [0,2,0,0,0,0|2,0,0]=4 15506 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)Br 34a_100000186361_100009813988 [0,2,0,0,0,0|1,1,0]=4 15507 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)Br 7a_100000186361_100009813988 [0,2,0,0,0,0|1,1,0]=4 15508 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)Cl 34a_100000211091_100009813988 [0,2,0,0,0,0|1,0,0]=3 15509 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)Cl 7a_100000211091_100009813988 [0,2,0,0,0,0|1,0,0]=3 15510 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)F 34a_100000764316_100009813988 [0,2,0,0,0,0|1,1,0]=4 15511 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)F 7a_100000764316_100009813988 [0,2,0,0,0,0|1,1,0]=4 15512 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)I 34a_100011218673_100009813988 [0,2,0,0,0,0|1,1,0]=4 15513 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)I 7a_100011218673_100009813988 [0,2,0,0,0,0|1,1,0]=4 15514 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)N 34a_100011218179_100009813988 [0,2,0,0,0,0|2,0,0]=4 15515 B15R1.326 Cc1cc(ccc1OCC(C)(C)CO)N 7a_100011218179_100009813988 [0,2,0,0,0,0|2,0,0]=4 15516 B15R1.326 Cc1cc(ccc1SCC(C)(C)CO)Cl 62a_100009813988_100011219607 [0,2,0,0,0,0|1,1,0]=4 15517 B15R1.326 Cc1cc(ccc1SCC(C)(C)CO)Cl 62a_100011219607_100009813988 [0,2,0,0,0,0|1,1,0]=4 15518 B15R1.326 Cc1cc(ncc1OCC(C)(C)CO)Cl 34a_100000692680_100009813988 [0,2,0,0,0,0|2,0,0]=4 15519 B15R1.326 Cc1cc(ncc1OCC(C)(C)CO)Cl 7a_100000692680_100009813988 [0,2,0,0,0,0|2,0,0]=4 15520 B15R1.326 Cc1ccc(c(c1)Br)OCC(C)(C)CO 34a_100000210800_100009813988 [0,2,0,0,0,0|2,0,0]=4 15521 B15R1.326 Cc1ccc(c(c1)Br)OCC(C)(C)CO 7a_100000210800_100009813988 [0,2,0,0,0,0|2,0,0]=4 15522 B15R1.326 Cc1ccc(c(c1)C)OCC(C)(C)CO 34a_100000211776_100009813988 [0,2,0,0,0,0|2,0,0]=4 15523 B15R1.326 Cc1ccc(c(c1)C)OCC(C)(C)CO 7a_100000211776_100009813988 [0,2,0,0,0,0|2,0,0]=4 15524 B15R1.326 Cc1ccc(c(c1)Cl)OCC(C)(C)CO 34a_100000749699_100009813988 [0,2,0,0,0,0|2,0,0]=4 15525 B15R1.326 Cc1ccc(c(c1)Cl)OCC(C)(C)CO 7a_100000749699_100009813988 [0,2,0,0,0,0|2,0,0]=4 15526 B15R1.326 Cc1ccc(c(c1)F)OCC(C)(C)CO 34a_100011216688_100009813988 [0,2,0,0,0,0|2,0,0]=4 15527 B15R1.326 Cc1ccc(c(c1)F)OCC(C)(C)CO 7a_100011216688_100009813988 [0,2,0,0,0,0|2,0,0]=4 15528 B15R1.326 Cc1ccc(c(c1)I)OCC(C)(C)CO 34a_100000765521_100009813988 [0,2,0,0,0,0|2,0,0]=4 15529 B15R1.326 Cc1ccc(c(c1)I)OCC(C)(C)CO 7a_100000765521_100009813988 [0,2,0,0,0,0|2,0,0]=4 15530 B15R1.326 Cc1ccc(c(c1)N)OCC(C)(C)CO 34a_100011215204_100009813988 [0,2,0,0,0,0|2,0,0]=4 15531 B15R1.326 Cc1ccc(c(c1)N)OCC(C)(C)CO 7a_100011215204_100009813988 [0,2,0,0,0,0|2,0,0]=4 15532 B15R1.326 Cc1nc(ccc1OCC(C)(C)CO)Cl 34a_100012184626_100009813988 [0,2,0,0,0,0|2,0,0]=4 15533 B15R1.326 Cc1nc(ccc1OCC(C)(C)CO)Cl 7a_100012184626_100009813988 [0,2,0,0,0,0|2,0,0]=4 15534 B15R1.3092 CC(CO)(CO)NCc1ccc(cc1)Cl 207a_100000764395_100000189385 [0,2,0,0,0,0|2,0,0]=4 15535 B15R1.3092 COC(C)(COc1ccc(cc1)Cl)OC 34a_100000210216_100000766008 [0,2,0,0,0,0|2,0,0]=4 15536 B15R1.7791 CC(C)(CO)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100009813988 [0,2,0,0,0,0|2,0,0]=4 15537 B15R1.7791 CC(C)(CO)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100009813988 [0,2,0,0,0,0|2,0,0]=4 15538 B15R1.7791 CC(C)(CO)CNc1ccc(c(c1)F)Cl 34a_100000739366_100009813988 [0,2,0,0,0,0|2,0,0]=4 15539 B15R1.7791 CC(C)(CO)CNc1ccc(c(c1)F)Cl 7a_100000739366_100009813988 [0,2,0,0,0,0|2,0,0]=4 15540 B15R1.7791 CC(C)(CO)CNc1ccc(c(c1)I)Cl 34a_100012360549_100009813988 [0,2,0,0,0,0|2,0,0]=4 15541 B15R1.7791 CC(C)(CO)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009813988 [0,2,0,0,0,0|2,0,0]=4 15542 B15R1.7791 CC(C)(CO)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100009813988 [0,2,0,0,0,0|2,0,0]=4 15543 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009813988 [0,2,0,0,0,0|1,0,0]=3 15544 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)Cl 7a_100011933957_100009813988 [0,2,0,0,0,0|1,0,0]=3 15545 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)F 34a_100000693481_100009813988 [0,2,0,0,0,0|1,1,0]=4 15546 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)F 7a_100000693481_100009813988 [0,2,0,0,0,0|1,1,0]=4 15547 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)I 34a_100000701344_100009813988 [0,2,0,0,0,0|1,1,0]=4 15548 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)I 7a_100000701344_100009813988 [0,2,0,0,0,0|1,1,0]=4 15549 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)N 34a_100012001276_100009813988 [0,2,0,0,0,0|2,0,0]=4 15550 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Br)N 7a_100012001276_100009813988 [0,2,0,0,0,0|2,0,0]=4 15551 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009813988 [0,2,0,0,0,0|1,1,0]=4 15552 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)Br 7a_100011215161_100009813988 [0,2,0,0,0,0|1,1,0]=4 15553 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009813988 [0,2,0,0,0,0|1,0,0]=3 15554 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100009813988 [0,2,0,0,0,0|1,0,0]=3 15555 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)F 34a_100000211030_100009813988 [0,2,0,0,0,0|1,1,0]=4 15556 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)F 7a_100000211030_100009813988 [0,2,0,0,0,0|1,1,0]=4 15557 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)I 34a_100000047559_100009813988 [0,2,0,0,0,0|1,1,0]=4 15558 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)I 7a_100000047559_100009813988 [0,2,0,0,0,0|1,1,0]=4 15559 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)N 34a_100011215599_100009813988 [0,2,0,0,0,0|2,0,0]=4 15560 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)Cl)N 7a_100011215599_100009813988 [0,2,0,0,0,0|2,0,0]=4 15561 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)Br 34a_100000755031_100009813988 [0,2,0,0,0,0|1,1,0]=4 15562 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)Br 7a_100000755031_100009813988 [0,2,0,0,0,0|1,1,0]=4 15563 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)Cl 34a_100000691581_100009813988 [0,2,0,0,0,0|1,0,0]=3 15564 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)Cl 7a_100000691581_100009813988 [0,2,0,0,0,0|1,0,0]=3 15565 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)F 34a_100000181275_100009813988 [0,2,0,0,0,0|1,1,0]=4 15566 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)F 7a_100000181275_100009813988 [0,2,0,0,0,0|1,1,0]=4 15567 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)I 34a_100009990212_100009813988 [0,2,0,0,0,0|1,1,0]=4 15568 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)I 7a_100009990212_100009813988 [0,2,0,0,0,0|1,1,0]=4 15569 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)N 34a_100000759473_100009813988 [0,2,0,0,0,0|2,0,0]=4 15570 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)F)N 7a_100000759473_100009813988 [0,2,0,0,0,0|2,0,0]=4 15571 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)I)Br 34a_100012339312_100009813988 [0,2,0,0,0,0|1,1,0]=4 15572 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)I)Br 7a_100012339312_100009813988 [0,2,0,0,0,0|1,1,0]=4 15573 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)I)Cl 34a_100000049588_100009813988 [0,2,0,0,0,0|1,0,0]=3 15574 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)I)Cl 7a_100000049588_100009813988 [0,2,0,0,0,0|1,0,0]=3 15575 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)I)N 34a_100010084370_100009813988 [0,2,0,0,0,0|2,0,0]=4 15576 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)I)N 7a_100010084370_100009813988 [0,2,0,0,0,0|2,0,0]=4 15577 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)N)Br 34a_100011999798_100009813988 [0,2,0,0,0,0|1,1,0]=4 15578 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)N)Br 7a_100011999798_100009813988 [0,2,0,0,0,0|1,1,0]=4 15579 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)N)Cl 34a_100011934297_100009813988 [0,2,0,0,0,0|1,0,0]=3 15580 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)N)F 34a_100012017239_100009813988 [0,2,0,0,0,0|1,1,0]=4 15581 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)N)F 7a_100012017239_100009813988 [0,2,0,0,0,0|1,1,0]=4 15582 B15R1.7791 CC(C)(CO)COc1ccc(c(c1)N)N 34a_100025771000_100009813988 [0,2,0,0,0,0|2,0,0]=4 15583 B15R1.7791 CC(C)(CO)COc1cnc(c(c1)Br)Cl 34a_100012356455_100009813988 [0,2,0,0,0,0|2,0,0]=4 15584 B15R1.7791 CC(C)(CO)COc1cnc(c(c1)Br)Cl 7a_100012356455_100009813988 [0,2,0,0,0,0|2,0,0]=4 15585 B15R1.7791 CC(C)(CO)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100009813988 [0,2,0,0,0,0|2,0,0]=4 15586 B15R1.7791 CC(C)(CO)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100009813988 [0,2,0,0,0,0|2,0,0]=4 15587 B15R1.7791 CC(C)(CO)COc1cnc(c(c1)F)Cl 34a_100000063512_100009813988 [0,2,0,0,0,0|2,0,0]=4 15588 B15R1.7791 CC(C)(CO)COc1cnc(c(c1)F)Cl 7a_100000063512_100009813988 [0,2,0,0,0,0|2,0,0]=4 15589 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)Br)Cl 62a_100009813988_100012353702 [0,2,0,0,0,0|1,1,0]=4 15590 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100009813988 [0,2,0,0,0,0|1,1,0]=4 15591 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)Cl)Cl 62a_100009813988_100011214914 [0,2,0,0,0,0|1,1,0]=4 15592 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100009813988 [0,2,0,0,0,0|1,1,0]=4 15593 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)F)Cl 62a_100009813988_100011216805 [0,2,0,0,0,0|1,1,0]=4 15594 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)F)Cl 62a_100011216805_100009813988 [0,2,0,0,0,0|1,1,0]=4 15595 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)N)Cl 62a_100009813988_200000761891 [0,2,0,0,0,0|1,1,0]=4 15596 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)N)Cl 62a_200000761891_100009813988 [0,2,0,0,0,0|1,1,0]=4 15597 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)O)Cl 62a_100009813988_100011356854 [0,2,0,0,0,0|1,1,0]=4 15598 B15R1.7791 CC(C)(CO)CSc1ccc(c(c1)O)Cl 62a_100011356854_100009813988 [0,2,0,0,0,0|1,1,0]=4 15599 B15R1.7791 Cc1cc(ccc1Br)OCC(C)(C)CO 34a_100000690111_100009813988 [0,2,0,0,0,0|1,1,0]=4 15600 B15R1.7791 Cc1cc(ccc1Br)OCC(C)(C)CO 7a_100000690111_100009813988 [0,2,0,0,0,0|1,1,0]=4 15601 B15R1.7791 Cc1cc(ccc1Cl)NCC(C)(C)CO 34a_100000187808_100009813988 [0,2,0,0,0,0|2,0,0]=4 15602 B15R1.7791 Cc1cc(ccc1Cl)NCC(C)(C)CO 7a_100000187808_100009813988 [0,2,0,0,0,0|2,0,0]=4 15603 B15R1.7791 Cc1cc(ccc1Cl)OCC(C)(C)CO 34a_100000211092_100009813988 [0,2,0,0,0,0|1,0,0]=3 15604 B15R1.7791 Cc1cc(ccc1Cl)OCC(C)(C)CO 7a_100000211092_100009813988 [0,2,0,0,0,0|1,0,0]=3 15605 B15R1.7791 Cc1cc(ccc1Cl)SCC(C)(C)CO 62a_100000049509_100009813988 [0,2,0,0,0,0|1,1,0]=4 15606 B15R1.7791 Cc1cc(ccc1Cl)SCC(C)(C)CO 62a_100009813988_100000049509 [0,2,0,0,0,0|1,1,0]=4 15607 B15R1.7791 Cc1cc(ccc1F)OCC(C)(C)CO 34a_100000751312_100009813988 [0,2,0,0,0,0|1,1,0]=4 15608 B15R1.7791 Cc1cc(ccc1F)OCC(C)(C)CO 7a_100000751312_100009813988 [0,2,0,0,0,0|1,1,0]=4 15609 B15R1.7791 Cc1cc(ccc1I)OCC(C)(C)CO 34a_100000729255_100009813988 [0,2,0,0,0,0|1,1,0]=4 15610 B15R1.7791 Cc1cc(ccc1I)OCC(C)(C)CO 7a_100000729255_100009813988 [0,2,0,0,0,0|1,1,0]=4 15611 B15R1.7791 Cc1cc(ccc1N)OCC(C)(C)CO 34a_100000756630_100009813988 [0,2,0,0,0,0|2,0,0]=4 15612 B15R1.7791 Cc1cc(ccc1N)OCC(C)(C)CO 7a_100000756630_100009813988 [0,2,0,0,0,0|2,0,0]=4 15613 B15R1.7791 Cc1cc(cnc1Cl)OCC(C)(C)CO 34a_100012002680_100009813988 [0,2,0,0,0,0|2,0,0]=4 15614 B15R1.7791 Cc1cc(cnc1Cl)OCC(C)(C)CO 7a_100012002680_100009813988 [0,2,0,0,0,0|2,0,0]=4 15615 B15R1.7791 Cc1cc(ncc1Cl)OCC(C)(C)CO 34a_200000085746_100009813988 [0,2,0,0,0,0|2,0,0]=4 15616 B15R1.7791 Cc1ccc(cc1Br)OCC(C)(C)CO 34a_100011380479_100009813988 [0,2,0,0,0,0|2,0,0]=4 15617 B15R1.7791 Cc1ccc(cc1Br)OCC(C)(C)CO 7a_100011380479_100009813988 [0,2,0,0,0,0|2,0,0]=4 15618 B15R1.7791 Cc1ccc(cc1C)OCC(C)(C)CO 34a_100000210932_100009813988 [0,2,0,0,0,0|2,0,0]=4 15619 B15R1.7791 Cc1ccc(cc1C)OCC(C)(C)CO 7a_100000210932_100009813988 [0,2,0,0,0,0|2,0,0]=4 15620 B15R1.7791 Cc1ccc(cc1Cl)OCC(C)(C)CO 34a_100011265682_100009813988 [0,2,0,0,0,0|2,0,0]=4 15621 B15R1.7791 Cc1ccc(cc1Cl)OCC(C)(C)CO 7a_100011265682_100009813988 [0,2,0,0,0,0|2,0,0]=4 15622 B15R1.7791 Cc1ccc(cc1F)OCC(C)(C)CO 34a_100000722560_100009813988 [0,2,0,0,0,0|2,0,0]=4 15623 B15R1.7791 Cc1ccc(cc1F)OCC(C)(C)CO 7a_100000722560_100009813988 [0,2,0,0,0,0|2,0,0]=4 15624 B15R1.7791 Cc1ccc(cc1N)OCC(C)(C)CO 34a_100011216113_100009813988 [0,2,0,0,0,0|2,0,0]=4 15625 B15R1.7791 Cc1ccc(cc1N)OCC(C)(C)CO 7a_100011216113_100009813988 [0,2,0,0,0,0|2,0,0]=4 15626 B15R1.7791 Cc1nc(ccc1Cl)OCC(C)(C)CO 34a_200009863735_100009813988 [0,2,0,0,0,0|2,0,0]=4 15627 B15R1.9519 C[N+](C)(CCO)COc1ccc(cc1)Cl 7a_100000210216_200010270792 [0,2,0,0,0,0|2,0,0]=4 15628 B15R1.11347 FC(F)C(F)(F)COc1ccc(cc1)Cl 34a_100000210216_100000729011 [0,2,0,0,0,0|2,0,0]=4 15629 B15R1.139 C=C(COc1ccc(cc1)Cl)OCOC 34a_100000210216_100000042856 [0,2,0,0,0,0|1,0,1]=4 15630 B15R1.139 C=CCNC(C)COc1ccc(cc1)Cl 270004a_100020586998_200000150450 [0,2,0,0,0,0|2,0,0]=4 15631 B15R1.139 CC(CCc1ccc(cc1)Cl)NCCO 270004a_100000210304_100011279170 [0,2,0,0,0,0|2,0,0]=4 15632 B15R1.139 CC(COc1ccc(cc1)Cl)NCCO 270004a_100000210304_200000150450 [0,2,0,0,0,0|1,0,0]=3 15633 B15R1.139 CC(CSc1ccc(cc1)Cl)NCCO 270004a_100000210304_100000150472 [0,2,0,0,0,0|1,1,0]=4 15634 B15R1.139 CCCNC(C)COc1ccc(cc1)Cl 270004a_100020643023_200000150450 [0,2,0,0,0,0|2,0,0]=4 15635 B15R1.139 COCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000233755 [0,2,0,0,0,0|0,0,2]=4 15636 B15R1.139 COCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000766300 [0,2,0,0,0,0|2,0,0]=4 15637 B15R1.139 Cc1ccc(cc1)OCC(C)NCCO 2230a_100000743913_100000211926 [0,2,0,0,0,0|2,0,0]=4 15638 B15R1.139 Cc1ccc(cc1)OCC(C)NCCO 34a_100000743913_100000211926 [0,2,0,0,0,0|2,0,0]=4 15639 B15R1.139 Cc1ccc(cc1)OCC(C)OCCO 34a_100011217472_100000211926 [0,2,0,0,0,0|2,0,0]=4 15640 B15R1.139 Cc1ccc(cc1)OCC(C)OCCO 7a_100011217472_100000211926 [0,2,0,0,0,0|2,0,0]=4 15641 B15R1.139 O=C(CCCO)COc1ccc(cc1)Cl 1458a_100016990877_100011215043 [0,2,0,0,0,0|0,0,2]=4 15642 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCO 240690a_100000210304_100016990877 [0,2,0,0,0,0|0,0,2]=4 15643 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCO 527a_100000210304_100016990877 [0,2,0,0,0,0|0,0,2]=4 15644 B15R1.791 CCCC(C)COc1ccc(cc1Br)Cl 34a_100000211998_100011216630 [0,2,0,0,0,0|2,0,0]=4 15645 B15R1.791 CCCC(C)COc1ccc(cc1Br)Cl 7a_100000211998_100011216630 [0,2,0,0,0,0|2,0,0]=4 15646 B15R1.791 CCCC(C)COc1ccc(cc1C)Cl 34a_100000211091_100011216630 [0,2,0,0,0,0|2,0,0]=4 15647 B15R1.791 CCCC(C)COc1ccc(cc1C)Cl 7a_100000211091_100011216630 [0,2,0,0,0,0|2,0,0]=4 15648 B15R1.791 CCCC(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100011216630 [0,2,0,0,0,0|2,0,0]=4 15649 B15R1.791 CCCC(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100011216630 [0,2,0,0,0,0|2,0,0]=4 15650 B15R1.791 CCCC(C)COc1ccc(cc1F)Cl 34a_100000230166_100011216630 [0,2,0,0,0,0|2,0,0]=4 15651 B15R1.791 CCCC(C)COc1ccc(cc1F)Cl 7a_100000230166_100011216630 [0,2,0,0,0,0|2,0,0]=4 15652 B15R1.791 CCCC(C)COc1ccc(cc1I)Cl 34a_100011356953_100011216630 [0,2,0,0,0,0|2,0,0]=4 15653 B15R1.791 CCCC(C)COc1ccc(cc1I)Cl 7a_100011356953_100011216630 [0,2,0,0,0,0|2,0,0]=4 15654 B15R1.791 CCCC(C)COc1ccc(cc1N)Cl 34a_100000210500_100011216630 [0,2,0,0,0,0|2,0,0]=4 15655 B15R1.791 CCCC(C)COc1ccc(cc1N)Cl 7a_100000210500_100011216630 [0,2,0,0,0,0|2,0,0]=4 15656 B15R1.791 CNCC(O)COc1ccc(cc1C)C 2230a_100015185969_200000210301 [0,2,0,0,0,0|2,0,0]=4 15657 B15R1.791 CNCC(O)COc1ccc(cc1C)C 34a_100015185969_200000210301 [0,2,0,0,0,0|2,0,0]=4 15658 B15R1.791 COCC(O)CNc1ccc(cc1Br)Br 34a_100000211012_100011215053 [0,2,0,0,0,0|1,1,0]=4 15659 B15R1.791 COCC(O)CNc1ccc(cc1Br)C 34a_100000210942_100011215053 [0,2,0,0,0,0|2,0,0]=4 15660 B15R1.791 COCC(O)CNc1ccc(cc1Br)Cl 34a_100000752454_100011215053 [0,2,0,0,0,0|1,0,0]=3 15661 B15R1.791 COCC(O)CNc1ccc(cc1Br)F 34a_100000738039_100011215053 [0,2,0,0,0,0|1,1,0]=4 15662 B15R1.791 COCC(O)CNc1ccc(cc1Br)O 34a_100012001276_100011215053 [0,2,0,0,0,0|2,0,0]=4 15663 B15R1.791 COCC(O)CNc1ccc(cc1C)Br 34a_100000211769_100011215053 [0,2,0,0,0,0|1,1,0]=4 15664 B15R1.791 COCC(O)CNc1ccc(cc1C)Br 7a_100000211769_100011215053 [0,2,0,0,0,0|1,1,0]=4 15665 B15R1.791 COCC(O)CNc1ccc(cc1C)C 34a_100000736561_100011215053 [0,2,0,0,0,0|2,0,0]=4 15666 B15R1.791 COCC(O)CNc1ccc(cc1C)C 7a_100000736561_100011215053 [0,2,0,0,0,0|2,0,0]=4 15667 B15R1.791 COCC(O)CNc1ccc(cc1C)Cl 34a_100000210418_100011215053 [0,2,0,0,0,0|1,0,0]=3 15668 B15R1.791 COCC(O)CNc1ccc(cc1C)Cl 7a_100000210418_100011215053 [0,2,0,0,0,0|1,0,0]=3 15669 B15R1.791 COCC(O)CNc1ccc(cc1C)F 34a_100000211637_100011215053 [0,2,0,0,0,0|1,1,0]=4 15670 B15R1.791 COCC(O)CNc1ccc(cc1C)F 7a_100000211637_100011215053 [0,2,0,0,0,0|1,1,0]=4 15671 B15R1.791 COCC(O)CNc1ccc(cc1C)I 34a_100000184554_100011215053 [0,2,0,0,0,0|1,1,0]=4 15672 B15R1.791 COCC(O)CNc1ccc(cc1C)I 7a_100000184554_100011215053 [0,2,0,0,0,0|1,1,0]=4 15673 B15R1.791 COCC(O)CNc1ccc(cc1C)O 34a_100000756630_100011215053 [0,2,0,0,0,0|2,0,0]=4 15674 B15R1.791 COCC(O)CNc1ccc(cc1Cl)Br 34a_100000211467_100011215053 [0,2,0,0,0,0|1,1,0]=4 15675 B15R1.791 COCC(O)CNc1ccc(cc1Cl)C 34a_100000210522_100011215053 [0,2,0,0,0,0|2,0,0]=4 15676 B15R1.791 COCC(O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100011215053 [0,2,0,0,0,0|1,0,0]=3 15677 B15R1.791 COCC(O)CNc1ccc(cc1Cl)F 34a_100000212003_100011215053 [0,2,0,0,0,0|1,1,0]=4 15678 B15R1.791 COCC(O)CNc1ccc(cc1Cl)I 34a_100011218065_100011215053 [0,2,0,0,0,0|1,1,0]=4 15679 B15R1.791 COCC(O)CNc1ccc(cc1Cl)O 34a_100011215599_100011215053 [0,2,0,0,0,0|2,0,0]=4 15680 B15R1.791 COCC(O)CNc1ccc(cc1F)Br 34a_100000210722_100011215053 [0,2,0,0,0,0|1,1,0]=4 15681 B15R1.791 COCC(O)CNc1ccc(cc1F)C 34a_100000211023_100011215053 [0,2,0,0,0,0|2,0,0]=4 15682 B15R1.791 COCC(O)CNc1ccc(cc1F)Cl 34a_100000211020_100011215053 [0,2,0,0,0,0|1,0,0]=3 15683 B15R1.791 COCC(O)CNc1ccc(cc1F)F 34a_100000210720_100011215053 [0,2,0,0,0,0|1,1,0]=4 15684 B15R1.791 COCC(O)CNc1ccc(cc1F)I 34a_100011215594_100011215053 [0,2,0,0,0,0|1,1,0]=4 15685 B15R1.791 COCC(O)CNc1ccc(cc1F)O 34a_100000759473_100011215053 [0,2,0,0,0,0|2,0,0]=4 15686 B15R1.791 COCC(O)CNc1ccc(cc1I)Br 34a_100000187925_100011215053 [0,2,0,0,0,0|1,1,0]=4 15687 B15R1.791 COCC(O)CNc1ccc(cc1I)C 34a_100011356834_100011215053 [0,2,0,0,0,0|2,0,0]=4 15688 B15R1.791 COCC(O)CNc1ccc(cc1I)Cl 34a_100000761889_100011215053 [0,2,0,0,0,0|1,0,0]=3 15689 B15R1.791 COCC(O)CNc1ccc(cc1I)F 34a_100000760547_100011215053 [0,2,0,0,0,0|1,1,0]=4 15690 B15R1.791 COCC(O)CNc1ccc(cc1I)O 34a_100010084370_100011215053 [0,2,0,0,0,0|2,0,0]=4 15691 B15R1.791 COCC(O)CNc1ccc(cc1O)Br 34a_100000739049_100011215053 [0,2,0,0,0,0|1,1,0]=4 15692 B15R1.791 COCC(O)CNc1ccc(cc1O)C 34a_100000211527_100011215053 [0,2,0,0,0,0|2,0,0]=4 15693 B15R1.791 COCC(O)CNc1ccc(cc1O)Cl 34a_100000185728_100011215053 [0,2,0,0,0,0|1,0,0]=3 15694 B15R1.791 COCC(O)CNc1ccc(cc1O)F 34a_100000753323_100011215053 [0,2,0,0,0,0|1,1,0]=4 15695 B15R1.791 COCC(O)CNc1ccc(cc1O)O 34a_100000106777_100011215053 [0,2,0,0,0,0|2,0,0]=4 15696 B15R1.791 COCC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011215053 [0,2,0,0,0,0|0,1,0]=3 15697 B15R1.791 COCC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011215053 [0,2,0,0,0,0|0,1,0]=3 15698 B15R1.791 COCC(O)COc1ccc(cc1Br)C 34a_100000210800_100011215053 [0,2,0,0,0,0|1,0,0]=3 15699 B15R1.791 COCC(O)COc1ccc(cc1Br)C 7a_100000210800_100011215053 [0,2,0,0,0,0|1,0,0]=3 15700 B15R1.791 COCC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011215053 [0,2,0,0,0,0|0,0,0]=2 15701 B15R1.791 COCC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011215053 [0,2,0,0,0,0|0,0,0]=2 15702 B15R1.791 COCC(O)COc1ccc(cc1Br)F 34a_100000211999_100011215053 [0,2,0,0,0,0|0,1,0]=3 15703 B15R1.791 COCC(O)COc1ccc(cc1Br)F 7a_100000211999_100011215053 [0,2,0,0,0,0|0,1,0]=3 15704 B15R1.791 COCC(O)COc1ccc(cc1Br)I 34a_100012361655_100011215053 [0,2,0,0,0,0|0,1,0]=3 15705 B15R1.791 COCC(O)COc1ccc(cc1Br)I 7a_100012361655_100011215053 [0,2,0,0,0,0|0,1,0]=3 15706 B15R1.791 COCC(O)COc1ccc(cc1Br)N 34a_100011534360_100011215053 [0,2,0,0,0,0|1,0,0]=3 15707 B15R1.791 COCC(O)COc1ccc(cc1Br)N 7a_100011534360_100011215053 [0,2,0,0,0,0|1,0,0]=3 15708 B15R1.791 COCC(O)COc1ccc(cc1C)Br 34a_100000186361_100011215053 [0,2,0,0,0,0|0,1,0]=3 15709 B15R1.791 COCC(O)COc1ccc(cc1C)Br 7a_100000186361_100011215053 [0,2,0,0,0,0|0,1,0]=3 15710 B15R1.791 COCC(O)COc1ccc(cc1C)C 34a_100000211776_100011215053 [0,2,0,0,0,0|1,0,0]=3 15711 B15R1.791 COCC(O)COc1ccc(cc1C)C 7a_100000211776_100011215053 [0,2,0,0,0,0|1,0,0]=3 15712 B15R1.791 COCC(O)COc1ccc(cc1C)Cl 34a_100000211091_100011215053 [0,2,0,0,0,0|0,0,0]=2 15713 B15R1.791 COCC(O)COc1ccc(cc1C)Cl 7a_100000211091_100011215053 [0,2,0,0,0,0|0,0,0]=2 15714 B15R1.791 COCC(O)COc1ccc(cc1C)F 34a_100000764316_100011215053 [0,2,0,0,0,0|0,1,0]=3 15715 B15R1.791 COCC(O)COc1ccc(cc1C)F 7a_100000764316_100011215053 [0,2,0,0,0,0|0,1,0]=3 15716 B15R1.791 COCC(O)COc1ccc(cc1C)I 34a_100011218673_100011215053 [0,2,0,0,0,0|0,1,0]=3 15717 B15R1.791 COCC(O)COc1ccc(cc1C)I 7a_100011218673_100011215053 [0,2,0,0,0,0|0,1,0]=3 15718 B15R1.791 COCC(O)COc1ccc(cc1C)N 34a_100011218179_100011215053 [0,2,0,0,0,0|1,0,0]=3 15719 B15R1.791 COCC(O)COc1ccc(cc1C)N 7a_100011218179_100011215053 [0,2,0,0,0,0|1,0,0]=3 15720 B15R1.791 COCC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011215053 [0,2,0,0,0,0|0,1,0]=3 15721 B15R1.791 COCC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011215053 [0,2,0,0,0,0|0,1,0]=3 15722 B15R1.791 COCC(O)COc1ccc(cc1Cl)C 34a_100000749699_100011215053 [0,2,0,0,0,0|1,0,0]=3 15723 B15R1.791 COCC(O)COc1ccc(cc1Cl)C 7a_100000749699_100011215053 [0,2,0,0,0,0|1,0,0]=3 15724 B15R1.791 COCC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011215053 [0,2,0,0,0,0|0,0,0]=2 15725 B15R1.791 COCC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011215053 [0,2,0,0,0,0|0,0,0]=2 15726 B15R1.791 COCC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011215053 [0,2,0,0,0,0|0,1,0]=3 15727 B15R1.791 COCC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011215053 [0,2,0,0,0,0|0,1,0]=3 15728 B15R1.791 COCC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011215053 [0,2,0,0,0,0|0,1,0]=3 15729 B15R1.791 COCC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011215053 [0,2,0,0,0,0|0,1,0]=3 15730 B15R1.791 COCC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011215053 [0,2,0,0,0,0|1,0,0]=3 15731 B15R1.791 COCC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011215053 [0,2,0,0,0,0|1,0,0]=3 15732 B15R1.791 COCC(O)COc1ccc(cc1F)Br 34a_100000185481_100011215053 [0,2,0,0,0,0|0,1,0]=3 15733 B15R1.791 COCC(O)COc1ccc(cc1F)Br 7a_100000185481_100011215053 [0,2,0,0,0,0|0,1,0]=3 15734 B15R1.791 COCC(O)COc1ccc(cc1F)C 34a_100011216688_100011215053 [0,2,0,0,0,0|1,0,0]=3 15735 B15R1.791 COCC(O)COc1ccc(cc1F)C 7a_100011216688_100011215053 [0,2,0,0,0,0|1,0,0]=3 15736 B15R1.791 COCC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011215053 [0,2,0,0,0,0|0,0,0]=2 15737 B15R1.791 COCC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011215053 [0,2,0,0,0,0|0,0,0]=2 15738 B15R1.791 COCC(O)COc1ccc(cc1F)F 34a_100000230127_100011215053 [0,2,0,0,0,0|0,1,0]=3 15739 B15R1.791 COCC(O)COc1ccc(cc1F)F 7a_100000230127_100011215053 [0,2,0,0,0,0|0,1,0]=3 15740 B15R1.791 COCC(O)COc1ccc(cc1F)I 34a_100011356965_100011215053 [0,2,0,0,0,0|0,1,0]=3 15741 B15R1.791 COCC(O)COc1ccc(cc1F)I 7a_100011356965_100011215053 [0,2,0,0,0,0|0,1,0]=3 15742 B15R1.791 COCC(O)COc1ccc(cc1F)N 34a_100011220035_100011215053 [0,2,0,0,0,0|1,0,0]=3 15743 B15R1.791 COCC(O)COc1ccc(cc1F)N 7a_100011220035_100011215053 [0,2,0,0,0,0|1,0,0]=3 15744 B15R1.791 COCC(O)COc1ccc(cc1I)Br 34a_100012355227_100011215053 [0,2,0,0,0,0|0,1,0]=3 15745 B15R1.791 COCC(O)COc1ccc(cc1I)Br 7a_100012355227_100011215053 [0,2,0,0,0,0|0,1,0]=3 15746 B15R1.791 COCC(O)COc1ccc(cc1I)C 34a_100000765521_100011215053 [0,2,0,0,0,0|1,0,0]=3 15747 B15R1.791 COCC(O)COc1ccc(cc1I)C 7a_100000765521_100011215053 [0,2,0,0,0,0|1,0,0]=3 15748 B15R1.791 COCC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011215053 [0,2,0,0,0,0|0,0,0]=2 15749 B15R1.791 COCC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011215053 [0,2,0,0,0,0|0,0,0]=2 15750 B15R1.791 COCC(O)COc1ccc(cc1I)F 34a_100012355409_100011215053 [0,2,0,0,0,0|0,1,0]=3 15751 B15R1.791 COCC(O)COc1ccc(cc1I)F 7a_100012355409_100011215053 [0,2,0,0,0,0|0,1,0]=3 15752 B15R1.791 COCC(O)COc1ccc(cc1I)I 7a_100010001573_100011215053 [0,2,0,0,0,0|0,1,0]=3 15753 B15R1.791 COCC(O)COc1ccc(cc1N)Br 34a_100000752626_100011215053 [0,2,0,0,0,0|0,1,0]=3 15754 B15R1.791 COCC(O)COc1ccc(cc1N)Br 7a_100000752626_100011215053 [0,2,0,0,0,0|0,1,0]=3 15755 B15R1.791 COCC(O)COc1ccc(cc1N)C 34a_100011215204_100011215053 [0,2,0,0,0,0|1,0,0]=3 15756 B15R1.791 COCC(O)COc1ccc(cc1N)C 7a_100011215204_100011215053 [0,2,0,0,0,0|1,0,0]=3 15757 B15R1.791 COCC(O)COc1ccc(cc1N)Cl 34a_100000210500_100011215053 [0,2,0,0,0,0|0,0,0]=2 15758 B15R1.791 COCC(O)COc1ccc(cc1N)Cl 7a_100000210500_100011215053 [0,2,0,0,0,0|0,0,0]=2 15759 B15R1.791 COCC(O)COc1ccc(cc1N)F 34a_100000759472_100011215053 [0,2,0,0,0,0|0,1,0]=3 15760 B15R1.791 COCC(O)COc1ccc(cc1N)F 7a_100000759472_100011215053 [0,2,0,0,0,0|0,1,0]=3 15761 B15R1.791 COCC(O)COc1ccc(cc1N)I 34a_100000753495_100011215053 [0,2,0,0,0,0|0,1,0]=3 15762 B15R1.791 COCC(O)COc1ccc(cc1N)I 7a_100000753495_100011215053 [0,2,0,0,0,0|0,1,0]=3 15763 B15R1.791 COCC(O)COc1ccc(cc1N)N 34a_100000725306_100011215053 [0,2,0,0,0,0|1,0,0]=3 15764 B15R1.791 COCC(O)COc1ccc(nc1Br)Br 34a_100009999766_100011215053 [0,2,0,0,0,0|1,1,0]=4 15765 B15R1.791 COCC(O)COc1ccc(nc1Br)Br 7a_100009999766_100011215053 [0,2,0,0,0,0|1,1,0]=4 15766 B15R1.791 COCC(O)COc1ccc(nc1Br)C 34a_100000702858_100011215053 [0,2,0,0,0,0|2,0,0]=4 15767 B15R1.791 COCC(O)COc1ccc(nc1Br)C 7a_100000702858_100011215053 [0,2,0,0,0,0|2,0,0]=4 15768 B15R1.791 COCC(O)COc1ccc(nc1Br)Cl 34a_100010219353_100011215053 [0,2,0,0,0,0|1,0,0]=3 15769 B15R1.791 COCC(O)COc1ccc(nc1Br)Cl 7a_100010219353_100011215053 [0,2,0,0,0,0|1,0,0]=3 15770 B15R1.791 COCC(O)COc1ccc(nc1Br)F 34a_100009887730_100011215053 [0,2,0,0,0,0|1,1,0]=4 15771 B15R1.791 COCC(O)COc1ccc(nc1Br)F 7a_100009887730_100011215053 [0,2,0,0,0,0|1,1,0]=4 15772 B15R1.791 COCC(O)COc1ccc(nc1Br)I 34a_100000725334_100011215053 [0,2,0,0,0,0|1,1,0]=4 15773 B15R1.791 COCC(O)COc1ccc(nc1Br)I 7a_100000725334_100011215053 [0,2,0,0,0,0|1,1,0]=4 15774 B15R1.791 COCC(O)COc1ccc(nc1C)Br 34a_100012002022_100011215053 [0,2,0,0,0,0|1,1,0]=4 15775 B15R1.791 COCC(O)COc1ccc(nc1C)Br 7a_100012002022_100011215053 [0,2,0,0,0,0|1,1,0]=4 15776 B15R1.791 COCC(O)COc1ccc(nc1C)C 34a_100011218912_100011215053 [0,2,0,0,0,0|2,0,0]=4 15777 B15R1.791 COCC(O)COc1ccc(nc1C)C 7a_100011218912_100011215053 [0,2,0,0,0,0|2,0,0]=4 15778 B15R1.791 COCC(O)COc1ccc(nc1C)Cl 34a_100012184626_100011215053 [0,2,0,0,0,0|1,0,0]=3 15779 B15R1.791 COCC(O)COc1ccc(nc1C)Cl 7a_100012184626_100011215053 [0,2,0,0,0,0|1,0,0]=3 15780 B15R1.791 COCC(O)COc1ccc(nc1C)F 34a_100009881036_100011215053 [0,2,0,0,0,0|1,1,0]=4 15781 B15R1.791 COCC(O)COc1ccc(nc1C)F 7a_100009881036_100011215053 [0,2,0,0,0,0|1,1,0]=4 15782 B15R1.791 COCC(O)COc1ccc(nc1C)I 34a_100010233687_100011215053 [0,2,0,0,0,0|1,1,0]=4 15783 B15R1.791 COCC(O)COc1ccc(nc1C)I 7a_100010233687_100011215053 [0,2,0,0,0,0|1,1,0]=4 15784 B15R1.791 COCC(O)COc1ccc(nc1Cl)Br 34a_100010246206_100011215053 [0,2,0,0,0,0|1,1,0]=4 15785 B15R1.791 COCC(O)COc1ccc(nc1Cl)Br 7a_100010246206_100011215053 [0,2,0,0,0,0|1,1,0]=4 15786 B15R1.791 COCC(O)COc1ccc(nc1Cl)C 34a_100000086286_100011215053 [0,2,0,0,0,0|2,0,0]=4 15787 B15R1.791 COCC(O)COc1ccc(nc1Cl)C 7a_100000086286_100011215053 [0,2,0,0,0,0|2,0,0]=4 15788 B15R1.791 COCC(O)COc1ccc(nc1Cl)Cl 34a_100000101165_100011215053 [0,2,0,0,0,0|1,0,0]=3 15789 B15R1.791 COCC(O)COc1ccc(nc1Cl)Cl 7a_100000101165_100011215053 [0,2,0,0,0,0|1,0,0]=3 15790 B15R1.791 COCC(O)COc1ccc(nc1Cl)I 34a_100000721234_100011215053 [0,2,0,0,0,0|1,1,0]=4 15791 B15R1.791 COCC(O)COc1ccc(nc1Cl)I 7a_100000721234_100011215053 [0,2,0,0,0,0|1,1,0]=4 15792 B15R1.791 COCC(O)COc1ccc(nc1F)Br 34a_100009819667_100011215053 [0,2,0,0,0,0|1,1,0]=4 15793 B15R1.791 COCC(O)COc1ccc(nc1F)Br 7a_100009819667_100011215053 [0,2,0,0,0,0|1,1,0]=4 15794 B15R1.791 COCC(O)COc1ccc(nc1F)C 34a_100000079963_100011215053 [0,2,0,0,0,0|2,0,0]=4 15795 B15R1.791 COCC(O)COc1ccc(nc1F)C 7a_100000079963_100011215053 [0,2,0,0,0,0|2,0,0]=4 15796 B15R1.791 COCC(O)COc1ccc(nc1F)Cl 34a_100009880201_100011215053 [0,2,0,0,0,0|1,0,0]=3 15797 B15R1.791 COCC(O)COc1ccc(nc1F)Cl 7a_100009880201_100011215053 [0,2,0,0,0,0|1,0,0]=3 15798 B15R1.791 COCC(O)COc1ccc(nc1F)F 34a_100000101184_100011215053 [0,2,0,0,0,0|1,1,0]=4 15799 B15R1.791 COCC(O)COc1ccc(nc1F)F 7a_100000101184_100011215053 [0,2,0,0,0,0|1,1,0]=4 15800 B15R1.791 COCC(O)COc1ccc(nc1I)Br 34a_100010253912_100011215053 [0,2,0,0,0,0|1,1,0]=4 15801 B15R1.791 COCC(O)COc1ccc(nc1I)Br 7a_100010253912_100011215053 [0,2,0,0,0,0|1,1,0]=4 15802 B15R1.791 COCC(O)COc1ccc(nc1I)C 34a_100000023897_100011215053 [0,2,0,0,0,0|2,0,0]=4 15803 B15R1.791 COCC(O)COc1ccc(nc1I)C 7a_100000023897_100011215053 [0,2,0,0,0,0|2,0,0]=4 15804 B15R1.791 COCC(O)COc1ccc(nc1I)Cl 34a_100000696390_100011215053 [0,2,0,0,0,0|1,0,0]=3 15805 B15R1.791 COCC(O)COc1ccc(nc1I)Cl 7a_100000696390_100011215053 [0,2,0,0,0,0|1,0,0]=3 15806 B15R1.791 COCC(O)COc1ccc(nc1I)F 34a_100010382442_100011215053 [0,2,0,0,0,0|1,1,0]=4 15807 B15R1.791 COCC(O)COc1ccc(nc1I)F 7a_100010382442_100011215053 [0,2,0,0,0,0|1,1,0]=4 15808 B15R1.791 COCC(O)COc1ccc(nc1N)Br 34a_100000685527_100011215053 [0,2,0,0,0,0|1,1,0]=4 15809 B15R1.791 COCC(O)COc1ccc(nc1N)Br 7a_100000685527_100011215053 [0,2,0,0,0,0|1,1,0]=4 15810 B15R1.791 COCC(O)COc1ccc(nc1N)C 34a_100000694039_100011215053 [0,2,0,0,0,0|2,0,0]=4 15811 B15R1.791 COCC(O)COc1ccc(nc1N)C 7a_100000694039_100011215053 [0,2,0,0,0,0|2,0,0]=4 15812 B15R1.791 COCC(O)COc1ccc(nc1N)Cl 34a_100000717809_100011215053 [0,2,0,0,0,0|1,0,0]=3 15813 B15R1.791 COCC(O)COc1ccc(nc1N)Cl 7a_100000717809_100011215053 [0,2,0,0,0,0|1,0,0]=3 15814 B15R1.791 COCC(O)COc1cnc(cc1Br)C 34a_100009843476_100011215053 [0,2,0,0,0,0|2,0,0]=4 15815 B15R1.791 COCC(O)COc1cnc(cc1Br)C 7a_100009843476_100011215053 [0,2,0,0,0,0|2,0,0]=4 15816 B15R1.791 COCC(O)COc1cnc(cc1C)C 34a_200000068632_100011215053 [0,2,0,0,0,0|2,0,0]=4 15817 B15R1.791 COCC(O)COc1cnc(cc1C)C 7a_200000068632_100011215053 [0,2,0,0,0,0|2,0,0]=4 15818 B15R1.791 COCC(O)COc1cnc(cc1C)Cl 34a_100000692680_100011215053 [0,2,0,0,0,0|1,0,0]=3 15819 B15R1.791 COCC(O)COc1cnc(cc1C)Cl 7a_100000692680_100011215053 [0,2,0,0,0,0|1,0,0]=3 15820 B15R1.791 COCC(O)COc1cnc(cc1C)F 34a_100009856773_100011215053 [0,2,0,0,0,0|1,1,0]=4 15821 B15R1.791 COCC(O)COc1cnc(cc1C)F 7a_100009856773_100011215053 [0,2,0,0,0,0|1,1,0]=4 15822 B15R1.791 COCC(O)COc1cnc(cc1Cl)Cl 34a_100009868576_100011215053 [0,2,0,0,0,0|1,0,0]=3 15823 B15R1.791 COCC(O)COc1cnc(cc1Cl)Cl 7a_100009868576_100011215053 [0,2,0,0,0,0|1,0,0]=3 15824 B15R1.791 COCC(O)COc1cnc(cc1F)F 34a_100009885687_100011215053 [0,2,0,0,0,0|1,1,0]=4 15825 B15R1.791 COCC(O)COc1cnc(cc1F)F 7a_100009885687_100011215053 [0,2,0,0,0,0|1,1,0]=4 15826 B15R1.791 COCC(O)COc1cnc(cc1I)Cl 34a_100000698892_100011215053 [0,2,0,0,0,0|1,0,0]=3 15827 B15R1.791 COCC(O)COc1cnc(cc1I)Cl 7a_100000698892_100011215053 [0,2,0,0,0,0|1,0,0]=3 15828 B15R1.791 COCC(O)COc1cnc(cc1N)Br 34a_100009819941_100011215053 [0,2,0,0,0,0|1,1,0]=4 15829 B15R1.791 COCC(O)COc1cnc(cc1N)Br 7a_100009819941_100011215053 [0,2,0,0,0,0|1,1,0]=4 15830 B15R1.791 COCC(O)COc1cnc(nc1Cl)Cl 34a_100010725077_100011215053 [0,2,0,0,0,0|2,0,0]=4 15831 B15R1.791 COCC(O)COc1cnc(nc1Cl)Cl 7a_100010725077_100011215053 [0,2,0,0,0,0|2,0,0]=4 15832 B15R1.791 COCC(O)COc1coc(cc1=O)C 34a_100000081520_100011215053 [0,2,0,0,0,0|2,0,0]=4 15833 B15R1.791 COCC(O)COc1ncc(cc1Br)Br 34a_100000701035_100011215053 [0,2,0,0,0,0|1,1,0]=4 15834 B15R1.791 COCC(O)COc1ncc(cc1Br)C 34a_100000719714_100011215053 [0,2,0,0,0,0|2,0,0]=4 15835 B15R1.791 COCC(O)COc1ncc(cc1C)Br 34a_100000685391_100011215053 [0,2,0,0,0,0|1,1,0]=4 15836 B15R1.791 COCC(O)COc1ncc(cc1Cl)Br 34a_100012339560_100011215053 [0,2,0,0,0,0|1,1,0]=4 15837 B15R1.791 COCC(O)COc1ncc(cc1Cl)F 34a_100009847679_100011215053 [0,2,0,0,0,0|1,1,0]=4 15838 B15R1.791 COCC(O)COc1ncc(cc1F)Cl 34a_100011998252_100011215053 [0,2,0,0,0,0|1,0,0]=3 15839 B15R1.791 COCC(O)COc1ncc(cc1F)F 34a_100012025737_100011215053 [0,2,0,0,0,0|1,1,0]=4 15840 B15R1.791 COCC(O)COc1ncc(cc1N)Br 34a_100000743729_100011215053 [0,2,0,0,0,0|1,1,0]=4 15841 B15R1.791 COCC(O)COc1ncc(cc1N)C 34a_100012000488_100011215053 [0,2,0,0,0,0|2,0,0]=4 15842 B15R1.791 COCC(O)COc1ncc(cc1N)Cl 34a_100011998249_100011215053 [0,2,0,0,0,0|1,0,0]=3 15843 B15R1.791 COCC(O)CSc1ccc(cc1Br)Br 62a_100011215053_100011484698 [0,2,0,0,0,0|0,2,0]=4 15844 B15R1.791 COCC(O)CSc1ccc(cc1Br)Br 62a_100011484698_100011215053 [0,2,0,0,0,0|0,2,0]=4 15845 B15R1.791 COCC(O)CSc1ccc(cc1Br)C 62a_100009813563_100011215053 [0,2,0,0,0,0|1,1,0]=4 15846 B15R1.791 COCC(O)CSc1ccc(cc1Br)C 62a_100011215053_100009813563 [0,2,0,0,0,0|1,1,0]=4 15847 B15R1.791 COCC(O)CSc1ccc(cc1Br)Cl 62a_100011215053_100011219703 [0,2,0,0,0,0|0,1,0]=3 15848 B15R1.791 COCC(O)CSc1ccc(cc1Br)Cl 62a_100011219703_100011215053 [0,2,0,0,0,0|0,1,0]=3 15849 B15R1.791 COCC(O)CSc1ccc(cc1Br)F 62a_100011215053_100011217111 [0,2,0,0,0,0|0,2,0]=4 15850 B15R1.791 COCC(O)CSc1ccc(cc1Br)F 62a_100011217111_100011215053 [0,2,0,0,0,0|0,2,0]=4 15851 B15R1.791 COCC(O)CSc1ccc(cc1Br)N 62a_100000750458_100011215053 [0,2,0,0,0,0|1,1,0]=4 15852 B15R1.791 COCC(O)CSc1ccc(cc1Br)N 62a_100011215053_100000750458 [0,2,0,0,0,0|1,1,0]=4 15853 B15R1.791 COCC(O)CSc1ccc(cc1Br)O 62a_100000701344_100011215053 [0,2,0,0,0,0|1,1,0]=4 15854 B15R1.791 COCC(O)CSc1ccc(cc1Br)O 62a_100011215053_100000701344 [0,2,0,0,0,0|1,1,0]=4 15855 B15R1.791 COCC(O)CSc1ccc(cc1C)Br 62a_100000701812_100011215053 [0,2,0,0,0,0|0,2,0]=4 15856 B15R1.791 COCC(O)CSc1ccc(cc1C)Br 62a_100011215053_100000701812 [0,2,0,0,0,0|0,2,0]=4 15857 B15R1.791 COCC(O)CSc1ccc(cc1C)C 62a_100011215053_100011217332 [0,2,0,0,0,0|1,1,0]=4 15858 B15R1.791 COCC(O)CSc1ccc(cc1C)C 62a_100011217332_100011215053 [0,2,0,0,0,0|1,1,0]=4 15859 B15R1.791 COCC(O)CSc1ccc(cc1C)Cl 62a_100011215053_100011219607 [0,2,0,0,0,0|0,1,0]=3 15860 B15R1.791 COCC(O)CSc1ccc(cc1C)Cl 62a_100011219607_100011215053 [0,2,0,0,0,0|0,1,0]=3 15861 B15R1.791 COCC(O)CSc1ccc(cc1C)F 62a_100011205405_100011215053 [0,2,0,0,0,0|0,2,0]=4 15862 B15R1.791 COCC(O)CSc1ccc(cc1C)F 62a_100011215053_100011205405 [0,2,0,0,0,0|0,2,0]=4 15863 B15R1.791 COCC(O)CSc1ccc(cc1C)N 62a_100000210723_100011215053 [0,2,0,0,0,0|1,1,0]=4 15864 B15R1.791 COCC(O)CSc1ccc(cc1C)N 62a_100011215053_100000210723 [0,2,0,0,0,0|1,1,0]=4 15865 B15R1.791 COCC(O)CSc1ccc(cc1C)O 62a_100011215053_100000690111 [0,2,0,0,0,0|1,1,0]=4 15866 B15R1.791 COCC(O)CSc1ccc(cc1Cl)Br 62a_100011215053_100011216062 [0,2,0,0,0,0|0,2,0]=4 15867 B15R1.791 COCC(O)CSc1ccc(cc1Cl)Br 62a_100011216062_100011215053 [0,2,0,0,0,0|0,2,0]=4 15868 B15R1.791 COCC(O)CSc1ccc(cc1Cl)C 62a_100011215053_100011263221 [0,2,0,0,0,0|1,1,0]=4 15869 B15R1.791 COCC(O)CSc1ccc(cc1Cl)C 62a_100011263221_100011215053 [0,2,0,0,0,0|1,1,0]=4 15870 B15R1.791 COCC(O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100011215053 [0,2,0,0,0,0|0,1,0]=3 15871 B15R1.791 COCC(O)CSc1ccc(cc1Cl)Cl 62a_100011215053_100000699841 [0,2,0,0,0,0|0,1,0]=3 15872 B15R1.791 COCC(O)CSc1ccc(cc1Cl)F 62a_100000733362_100011215053 [0,2,0,0,0,0|0,2,0]=4 15873 B15R1.791 COCC(O)CSc1ccc(cc1Cl)F 62a_100011215053_100000733362 [0,2,0,0,0,0|0,2,0]=4 15874 B15R1.791 COCC(O)CSc1ccc(cc1Cl)N 62a_100000761885_100011215053 [0,2,0,0,0,0|1,1,0]=4 15875 B15R1.791 COCC(O)CSc1ccc(cc1Cl)N 62a_100011215053_100000761885 [0,2,0,0,0,0|1,1,0]=4 15876 B15R1.791 COCC(O)CSc1ccc(cc1Cl)O 62a_100000047559_100011215053 [0,2,0,0,0,0|1,1,0]=4 15877 B15R1.791 COCC(O)CSc1ccc(cc1Cl)O 62a_100011215053_100000047559 [0,2,0,0,0,0|1,1,0]=4 15878 B15R1.791 COCC(O)CSc1ccc(cc1F)Br 62a_100009814013_100011215053 [0,2,0,0,0,0|0,2,0]=4 15879 B15R1.791 COCC(O)CSc1ccc(cc1F)Br 62a_100011215053_100009814013 [0,2,0,0,0,0|0,2,0]=4 15880 B15R1.791 COCC(O)CSc1ccc(cc1F)C 62a_100011215053_100011216119 [0,2,0,0,0,0|1,1,0]=4 15881 B15R1.791 COCC(O)CSc1ccc(cc1F)C 62a_100011216119_100011215053 [0,2,0,0,0,0|1,1,0]=4 15882 B15R1.791 COCC(O)CSc1ccc(cc1F)Cl 62a_100011215053_100011216042 [0,2,0,0,0,0|0,1,0]=3 15883 B15R1.791 COCC(O)CSc1ccc(cc1F)Cl 62a_100011216042_100011215053 [0,2,0,0,0,0|0,1,0]=3 15884 B15R1.791 COCC(O)CSc1ccc(cc1F)F 62a_100000750030_100011215053 [0,2,0,0,0,0|0,2,0]=4 15885 B15R1.791 COCC(O)CSc1ccc(cc1F)F 62a_100011215053_100000750030 [0,2,0,0,0,0|0,2,0]=4 15886 B15R1.791 COCC(O)CSc1ccc(cc1F)N 62a_100011215053_100011356925 [0,2,0,0,0,0|1,1,0]=4 15887 B15R1.791 COCC(O)CSc1ccc(cc1F)N 62a_100011356925_100011215053 [0,2,0,0,0,0|1,1,0]=4 15888 B15R1.791 COCC(O)CSc1ccc(cc1F)O 62a_100000755031_100011215053 [0,2,0,0,0,0|1,1,0]=4 15889 B15R1.791 COCC(O)CSc1ccc(cc1F)O 62a_100011215053_100000755031 [0,2,0,0,0,0|1,1,0]=4 15890 B15R1.791 COCC(O)CSc1ccc(cc1N)Br 62a_100000743836_100011215053 [0,2,0,0,0,0|0,2,0]=4 15891 B15R1.791 COCC(O)CSc1ccc(cc1N)Br 62a_100011215053_100000743836 [0,2,0,0,0,0|0,2,0]=4 15892 B15R1.791 COCC(O)CSc1ccc(cc1N)C 62a_100011215053_100011216686 [0,2,0,0,0,0|1,1,0]=4 15893 B15R1.791 COCC(O)CSc1ccc(cc1N)C 62a_100011216686_100011215053 [0,2,0,0,0,0|1,1,0]=4 15894 B15R1.791 COCC(O)CSc1ccc(cc1N)Cl 62a_100000761886_100011215053 [0,2,0,0,0,0|0,1,0]=3 15895 B15R1.791 COCC(O)CSc1ccc(cc1N)Cl 62a_100011215053_100000761886 [0,2,0,0,0,0|0,1,0]=3 15896 B15R1.791 COCC(O)CSc1ccc(cc1N)F 62a_100000687223_100011215053 [0,2,0,0,0,0|0,2,0]=4 15897 B15R1.791 COCC(O)CSc1ccc(cc1N)F 62a_100011215053_100000687223 [0,2,0,0,0,0|0,2,0]=4 15898 B15R1.791 COCC(O)CSc1ccc(cc1N)N 62a_100011215053_200012175722 [0,2,0,0,0,0|1,1,0]=4 15899 B15R1.791 COCC(O)CSc1ccc(cc1N)N 62a_200012175722_100011215053 [0,2,0,0,0,0|1,1,0]=4 15900 B15R1.791 COCC(O)CSc1ccc(cc1N)O 62a_100011215053_100011999798 [0,2,0,0,0,0|1,1,0]=4 15901 B15R1.791 COCC(O)CSc1ccc(cc1N)O 62a_100011999798_100011215053 [0,2,0,0,0,0|1,1,0]=4 15902 B15R1.791 COCC(O)CSc1ccc(cc1O)Br 62a_100011215053_100012344904 [0,2,0,0,0,0|0,2,0]=4 15903 B15R1.791 COCC(O)CSc1ccc(cc1O)Br 62a_100012344904_100011215053 [0,2,0,0,0,0|0,2,0]=4 15904 B15R1.791 COCC(O)CSc1ccc(cc1O)C 62a_100011215053_100012002257 [0,2,0,0,0,0|1,1,0]=4 15905 B15R1.791 COCC(O)CSc1ccc(cc1O)C 62a_100012002257_100011215053 [0,2,0,0,0,0|1,1,0]=4 15906 B15R1.791 COCC(O)CSc1ccc(cc1O)Cl 62a_100000050036_100011215053 [0,2,0,0,0,0|0,1,0]=3 15907 B15R1.791 COCC(O)CSc1ccc(cc1O)Cl 62a_100011215053_100000050036 [0,2,0,0,0,0|0,1,0]=3 15908 B15R1.791 COCC(O)CSc1ccc(cc1O)F 62a_100000690578_100011215053 [0,2,0,0,0,0|0,2,0]=4 15909 B15R1.791 COCC(O)CSc1ccc(cc1O)F 62a_100011215053_100000690578 [0,2,0,0,0,0|0,2,0]=4 15910 B15R1.791 COCC(O)CSc1ccc(cc1O)O 62a_100011215053_100009813921 [0,2,0,0,0,0|1,1,0]=4 15911 B15R1.791 COCC(O)CSc1ccc(nc1C)Cl 62a_100000062408_100011215053 [0,2,0,0,0,0|1,1,0]=4 15912 B15R1.791 COCC(O)CSc1ccc(nc1C)Cl 62a_100011215053_100000062408 [0,2,0,0,0,0|1,1,0]=4 15913 B15R1.791 COCC(O)CSc1ccc(nc1Cl)Cl 62a_100011215053_100000043682 [0,2,0,0,0,0|1,1,0]=4 15914 B15R1.791 COCC(O)CSc1ccc(nc1F)Cl 62a_100010168078_100011215053 [0,2,0,0,0,0|1,1,0]=4 15915 B15R1.791 COCC(O)CSc1ccc(nc1F)Cl 62a_100011215053_100010168078 [0,2,0,0,0,0|1,1,0]=4 15916 B15R1.791 COCC(O)CSc1ccc(nc1N)Cl 62a_100010171640_100011215053 [0,2,0,0,0,0|1,1,0]=4 15917 B15R1.791 COCC(O)CSc1ccc(nc1N)Cl 62a_100011215053_100010171640 [0,2,0,0,0,0|1,1,0]=4 15918 B15R1.791 COCC(O)CSc1cnc(cc1C)Cl 62a_100010172789_100011215053 [0,2,0,0,0,0|1,1,0]=4 15919 B15R1.791 COCC(O)CSc1cnc(cc1C)Cl 62a_100011215053_100010172789 [0,2,0,0,0,0|1,1,0]=4 15920 B15R1.791 COCC(O)CSc1cnc(cc1Cl)Cl 62a_100010200927_100011215053 [0,2,0,0,0,0|1,1,0]=4 15921 B15R1.791 COCC(O)CSc1cnc(cc1Cl)Cl 62a_100011215053_100010200927 [0,2,0,0,0,0|1,1,0]=4 15922 B15R1.791 COCC(O)CSc1cnc(cc1F)Cl 62a_100010128100_100011215053 [0,2,0,0,0,0|1,1,0]=4 15923 B15R1.791 COCC(O)CSc1cnc(cc1F)Cl 62a_100011215053_100010128100 [0,2,0,0,0,0|1,1,0]=4 15924 B15R1.791 COCC(O)CSc1cnc(cc1N)Cl 62a_100010209552_100011215053 [0,2,0,0,0,0|1,1,0]=4 15925 B15R1.791 COCC(O)CSc1cnc(cc1N)Cl 62a_100011215053_100010209552 [0,2,0,0,0,0|1,1,0]=4 15926 B15R1.791 COCC(O)CSc1ncc(cc1Br)Cl 62a_100011215053_100012154958 [0,2,0,0,0,0|1,1,0]=4 15927 B15R1.791 COCC(O)CSc1ncc(cc1Br)Cl 62a_100012154958_100011215053 [0,2,0,0,0,0|1,1,0]=4 15928 B15R1.791 COCC(O)CSc1ncc(cc1F)Cl 62a_100011215053_100012348686 [0,2,0,0,0,0|1,1,0]=4 15929 B15R1.791 COCC(O)CSc1ncc(cc1F)Cl 62a_100012348686_100011215053 [0,2,0,0,0,0|1,1,0]=4 15930 B15R1.791 COCC(O)CSc1ncc(cc1O)Cl 62a_100010233512_100011215053 [0,2,0,0,0,0|1,1,0]=4 15931 B15R1.791 COCC(O)CSc1ncc(cc1O)Cl 62a_100011215053_100010233512 [0,2,0,0,0,0|1,1,0]=4 15932 B15R1.791 Cc1cc(ccc1NC[C@@H](O)CC#N)Cl 7a_100000210418_100000001066 [0,2,0,0,0,0|2,0,0]=4 15933 B15R1.791 Cc1cc(ccc1OCC(=O)CCO)Cl 1458a_100000182498_100000211926 [0,2,0,0,0,0|0,0,2]=4 15934 B15R1.791 Cc1cc(ccc1OCC(=O)NCO)Cl 34a_100000211091_100000185155 [0,2,0,0,0,0|0,0,2]=4 15935 B15R1.791 Cc1cc(ccc1OCC(=O)NCO)Cl 7a_100000211091_100000185155 [0,2,0,0,0,0|0,0,2]=4 15936 B15R1.791 Cc1cc(ccc1OC[C@@H](O)CC#N)Br 7a_100000186361_100000001066 [0,2,0,0,0,0|1,1,0]=4 15937 B15R1.791 Cc1cc(ccc1OC[C@@H](O)CC#N)Cl 7a_100000211091_100000001066 [0,2,0,0,0,0|1,0,0]=3 15938 B15R1.791 Cc1cc(ccc1OC[C@@H](O)CC#N)F 7a_100000764316_100000001066 [0,2,0,0,0,0|1,1,0]=4 15939 B15R1.791 Cc1cc(ccc1OC[C@@H](O)CC#N)I 7a_100011218673_100000001066 [0,2,0,0,0,0|1,1,0]=4 15940 B15R1.791 Cc1cc(ccc1OC[C@@H](O)CC#N)N 7a_100011218179_100000001066 [0,2,0,0,0,0|2,0,0]=4 15941 B15R1.791 Cc1cc(ccc1SC[C@@H](O)CC#N)Cl 62a_100000001066_100011219607 [0,2,0,0,0,0|1,1,0]=4 15942 B15R1.791 Cc1cc(ccc1SC[C@@H](O)CC#N)Cl 62a_100011219607_100000001066 [0,2,0,0,0,0|1,1,0]=4 15943 B15R1.791 Cc1cc(ncc1OC[C@@H](O)CC#N)Cl 7a_100000692680_100000001066 [0,2,0,0,0,0|2,0,0]=4 15944 B15R1.791 Cc1ccc(c(c1)Br)OC[C@@H](O)CC#N 7a_100000210800_100000001066 [0,2,0,0,0,0|2,0,0]=4 15945 B15R1.791 Cc1ccc(c(c1)C)OCC(O)CN[13CH3] 2230a_100015185969_200025704644 [0,2,0,0,0,0|2,0,0]=4 15946 B15R1.791 Cc1ccc(c(c1)C)OCC(O)CN[13CH3] 34a_100015185969_200025704644 [0,2,0,0,0,0|2,0,0]=4 15947 B15R1.791 Cc1ccc(c(c1)C)OC[C@@H](O)CC#N 7a_100000211776_100000001066 [0,2,0,0,0,0|2,0,0]=4 15948 B15R1.791 Cc1ccc(c(c1)Cl)OC[C@@H](O)CC#N 7a_100000749699_100000001066 [0,2,0,0,0,0|2,0,0]=4 15949 B15R1.791 Cc1ccc(c(c1)F)OC[C@@H](O)CC#N 7a_100011216688_100000001066 [0,2,0,0,0,0|2,0,0]=4 15950 B15R1.791 Cc1ccc(c(c1)I)OC[C@@H](O)CC#N 7a_100000765521_100000001066 [0,2,0,0,0,0|2,0,0]=4 15951 B15R1.791 Cc1ccc(c(c1)N)OC[C@@H](O)CC#N 7a_100011215204_100000001066 [0,2,0,0,0,0|2,0,0]=4 15952 B15R1.791 Cc1nc(ccc1OC[C@@H](O)CC#N)Cl 7a_100012184626_100000001066 [0,2,0,0,0,0|2,0,0]=4 15953 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Br)Br 7a_100000188717_100000001066 [0,2,0,0,0,0|1,1,0]=4 15954 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Br)Cl 7a_100000211998_100000001066 [0,2,0,0,0,0|1,0,0]=3 15955 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Br)F 7a_100000211999_100000001066 [0,2,0,0,0,0|1,1,0]=4 15956 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Br)I 7a_100012361655_100000001066 [0,2,0,0,0,0|1,1,0]=4 15957 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Br)N 7a_100011534360_100000001066 [0,2,0,0,0,0|2,0,0]=4 15958 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100000001066 [0,2,0,0,0,0|1,1,0]=4 15959 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000001066 [0,2,0,0,0,0|1,0,0]=3 15960 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100000001066 [0,2,0,0,0,0|1,1,0]=4 15961 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100000001066 [0,2,0,0,0,0|1,1,0]=4 15962 B15R1.791 N#CC[C@H](O)COc1ccc(cc1Cl)N 7a_100000744943_100000001066 [0,2,0,0,0,0|2,0,0]=4 15963 B15R1.791 N#CC[C@H](O)COc1ccc(cc1F)Br 7a_100000185481_100000001066 [0,2,0,0,0,0|1,1,0]=4 15964 B15R1.791 N#CC[C@H](O)COc1ccc(cc1F)Cl 7a_100000230166_100000001066 [0,2,0,0,0,0|1,0,0]=3 15965 B15R1.791 N#CC[C@H](O)COc1ccc(cc1F)F 7a_100000230127_100000001066 [0,2,0,0,0,0|1,1,0]=4 15966 B15R1.791 N#CC[C@H](O)COc1ccc(cc1F)I 7a_100011356965_100000001066 [0,2,0,0,0,0|1,1,0]=4 15967 B15R1.791 N#CC[C@H](O)COc1ccc(cc1F)N 7a_100011220035_100000001066 [0,2,0,0,0,0|2,0,0]=4 15968 B15R1.791 N#CC[C@H](O)COc1ccc(cc1I)Br 7a_100012355227_100000001066 [0,2,0,0,0,0|1,1,0]=4 15969 B15R1.791 N#CC[C@H](O)COc1ccc(cc1I)Cl 7a_100011356953_100000001066 [0,2,0,0,0,0|1,0,0]=3 15970 B15R1.791 N#CC[C@H](O)COc1ccc(cc1I)F 7a_100012355409_100000001066 [0,2,0,0,0,0|1,1,0]=4 15971 B15R1.791 N#CC[C@H](O)COc1ccc(cc1I)I 7a_100010001573_100000001066 [0,2,0,0,0,0|1,1,0]=4 15972 B15R1.791 N#CC[C@H](O)COc1ccc(cc1N)Br 7a_100000752626_100000001066 [0,2,0,0,0,0|1,1,0]=4 15973 B15R1.791 N#CC[C@H](O)COc1ccc(cc1N)Cl 7a_100000210500_100000001066 [0,2,0,0,0,0|1,0,0]=3 15974 B15R1.791 N#CC[C@H](O)COc1ccc(cc1N)F 7a_100000759472_100000001066 [0,2,0,0,0,0|1,1,0]=4 15975 B15R1.791 N#CC[C@H](O)COc1ccc(cc1N)I 7a_100000753495_100000001066 [0,2,0,0,0,0|1,1,0]=4 15976 B15R1.791 N#CC[C@H](O)COc1ccc(nc1Br)Cl 7a_100010219353_100000001066 [0,2,0,0,0,0|2,0,0]=4 15977 B15R1.791 N#CC[C@H](O)COc1ccc(nc1Cl)Cl 7a_100000101165_100000001066 [0,2,0,0,0,0|2,0,0]=4 15978 B15R1.791 N#CC[C@H](O)COc1ccc(nc1F)Cl 7a_100009880201_100000001066 [0,2,0,0,0,0|2,0,0]=4 15979 B15R1.791 N#CC[C@H](O)COc1ccc(nc1I)Cl 7a_100000696390_100000001066 [0,2,0,0,0,0|2,0,0]=4 15980 B15R1.791 N#CC[C@H](O)COc1ccc(nc1N)Cl 7a_100000717809_100000001066 [0,2,0,0,0,0|2,0,0]=4 15981 B15R1.791 N#CC[C@H](O)COc1cnc(cc1Cl)Cl 7a_100009868576_100000001066 [0,2,0,0,0,0|2,0,0]=4 15982 B15R1.791 N#CC[C@H](O)COc1cnc(cc1I)Cl 7a_100000698892_100000001066 [0,2,0,0,0,0|2,0,0]=4 15983 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1Br)Cl 62a_100000001066_100011219703 [0,2,0,0,0,0|1,1,0]=4 15984 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000001066 [0,2,0,0,0,0|1,1,0]=4 15985 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1Cl)Cl 62a_100000001066_100000699841 [0,2,0,0,0,0|1,1,0]=4 15986 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000001066 [0,2,0,0,0,0|1,1,0]=4 15987 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1F)Cl 62a_100000001066_100011216042 [0,2,0,0,0,0|1,1,0]=4 15988 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1F)Cl 62a_100011216042_100000001066 [0,2,0,0,0,0|1,1,0]=4 15989 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1N)Cl 62a_100000001066_100000761886 [0,2,0,0,0,0|1,1,0]=4 15990 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1N)Cl 62a_100000761886_100000001066 [0,2,0,0,0,0|1,1,0]=4 15991 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1O)Cl 62a_100000001066_100000050036 [0,2,0,0,0,0|1,1,0]=4 15992 B15R1.791 N#CC[C@H](O)CSc1ccc(cc1O)Cl 62a_100000050036_100000001066 [0,2,0,0,0,0|1,1,0]=4 15993 B15R1.791 Nc1cc(ccc1OCC(=O)NCO)Cl 34a_100000210500_100000185155 [0,2,0,0,0,0|0,0,2]=4 15994 B15R1.791 Nc1cc(ccc1OCC(=O)NCO)Cl 7a_100000210500_100000185155 [0,2,0,0,0,0|0,0,2]=4 15995 B15R1.791 O=C(CCO)COc1ccc(cc1Br)Cl 1458a_100000184090_100000211926 [0,2,0,0,0,0|0,0,2]=4 15996 B15R1.791 O=C(CCO)COc1ccc(cc1Cl)Cl 1458a_100102647096_100000211926 [0,2,0,0,0,0|0,0,2]=4 15997 B15R1.791 O=C(CCO)COc1ccc(cc1F)Cl 1458a_100012771990_100000211926 [0,2,0,0,0,0|0,0,2]=4 15998 B15R1.791 O=C(CCO)COc1ccc(cc1O)Cl 1458a_100010174420_100000211926 [0,2,0,0,0,0|0,0,2]=4 15999 B15R1.791 O=C(COc1ccc(cc1Br)Cl)NCO 34a_100000211998_100000185155 [0,2,0,0,0,0|0,0,2]=4 16000 B15R1.791 O=C(COc1ccc(cc1Br)Cl)NCO 7a_100000211998_100000185155 [0,2,0,0,0,0|0,0,2]=4 16001 B15R1.791 O=C(COc1ccc(cc1Cl)Cl)NCO 34a_100015191787_100000185155 [0,2,0,0,0,0|0,0,2]=4 16002 B15R1.791 O=C(COc1ccc(cc1Cl)Cl)NCO 7a_100015191787_100000185155 [0,2,0,0,0,0|0,0,2]=4 16003 B15R1.791 O=C(COc1ccc(cc1F)Cl)NCO 34a_100000230166_100000185155 [0,2,0,0,0,0|0,0,2]=4 16004 B15R1.791 O=C(COc1ccc(cc1F)Cl)NCO 7a_100000230166_100000185155 [0,2,0,0,0,0|0,0,2]=4 16005 B15R1.791 O=C(COc1ccc(cc1I)Cl)NCO 34a_100011356953_100000185155 [0,2,0,0,0,0|0,0,2]=4 16006 B15R1.791 O=C(COc1ccc(cc1I)Cl)NCO 7a_100011356953_100000185155 [0,2,0,0,0,0|0,0,2]=4 16007 B15R1.870 CC(COc1ccc(cc1)Cl)CN(C)C 7a_100000210216_100015348159 [0,2,0,0,0,0|2,0,0]=4 16008 B15R1.870 CC(O)CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100011218427 [0,2,0,0,0,0|0,0,2]=4 16009 B15R1.1285 COCC(CO)NCc1ccc(cc1)Cl 207a_100000724102_100000189385 [0,2,0,0,0,0|2,0,0]=4 16010 B15R1.1285 COCC(CO)NCc1ccc(cc1)Cl 2230a_100000724102_100000694040 [0,2,0,0,0,0|2,0,0]=4 16011 B15R1.1285 COCC(CO)NCc1ccc(cc1)Cl 270004a_100000724102_100000189385 [0,2,0,0,0,0|2,0,0]=4 16012 B15R1.1285 COCC(CO)NCc1ccc(cc1)Cl 34a_100000724102_100000694040 [0,2,0,0,0,0|2,0,0]=4 16013 B15R1.10390 CCCC(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011216630 [0,2,0,0,0,0|2,0,0]=4 16014 B15R1.10390 CCCC(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011216630 [0,2,0,0,0,0|2,0,0]=4 16015 B15R1.10390 CCCC(C)COc1ccc(c(c1)C)Cl 34a_100000211092_100011216630 [0,2,0,0,0,0|2,0,0]=4 16016 B15R1.10390 CCCC(C)COc1ccc(c(c1)C)Cl 7a_100000211092_100011216630 [0,2,0,0,0,0|2,0,0]=4 16017 B15R1.10390 CCCC(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011216630 [0,2,0,0,0,0|2,0,0]=4 16018 B15R1.10390 CCCC(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011216630 [0,2,0,0,0,0|2,0,0]=4 16019 B15R1.10390 CCCC(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100011216630 [0,2,0,0,0,0|2,0,0]=4 16020 B15R1.10390 CCCC(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100011216630 [0,2,0,0,0,0|2,0,0]=4 16021 B15R1.10390 CCCC(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100011216630 [0,2,0,0,0,0|2,0,0]=4 16022 B15R1.10390 CCCC(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100011216630 [0,2,0,0,0,0|2,0,0]=4 16023 B15R1.10390 CCCC(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100011216630 [0,2,0,0,0,0|2,0,0]=4 16024 B15R1.10390 CNCC(O)COc1ccc(c(c1)C)Cl 2230a_100011226696_200000210301 [0,2,0,0,0,0|1,0,0]=3 16025 B15R1.10390 CNCC(O)COc1ccc(c(c1)C)Cl 34a_100011226696_200000210301 [0,2,0,0,0,0|1,0,0]=3 16026 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100011215053 [0,2,0,0,0,0|1,1,0]=4 16027 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100011215053 [0,2,0,0,0,0|1,1,0]=4 16028 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)C 34a_100000736455_100011215053 [0,2,0,0,0,0|2,0,0]=4 16029 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)C 7a_100000736455_100011215053 [0,2,0,0,0,0|2,0,0]=4 16030 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100011215053 [0,2,0,0,0,0|1,0,0]=3 16031 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)F 34a_100000760356_100011215053 [0,2,0,0,0,0|1,1,0]=4 16032 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)F 7a_100000760356_100011215053 [0,2,0,0,0,0|1,1,0]=4 16033 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)I 34a_100000750458_100011215053 [0,2,0,0,0,0|1,1,0]=4 16034 B15R1.10390 COCC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011215053 [0,2,0,0,0,0|2,0,0]=4 16035 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)Br 34a_100000210723_100011215053 [0,2,0,0,0,0|1,1,0]=4 16036 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)Br 7a_100000210723_100011215053 [0,2,0,0,0,0|1,1,0]=4 16037 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)C 34a_100000724040_100011215053 [0,2,0,0,0,0|2,0,0]=4 16038 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)C 7a_100000724040_100011215053 [0,2,0,0,0,0|2,0,0]=4 16039 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100011215053 [0,2,0,0,0,0|1,0,0]=3 16040 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100011215053 [0,2,0,0,0,0|1,0,0]=3 16041 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)F 34a_100000750164_100011215053 [0,2,0,0,0,0|1,1,0]=4 16042 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)F 7a_100000750164_100011215053 [0,2,0,0,0,0|1,1,0]=4 16043 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)I 34a_100000198070_100011215053 [0,2,0,0,0,0|1,1,0]=4 16044 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)I 7a_100000198070_100011215053 [0,2,0,0,0,0|1,1,0]=4 16045 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)O 34a_100011218179_100011215053 [0,2,0,0,0,0|2,0,0]=4 16046 B15R1.10390 COCC(O)CNc1ccc(c(c1)C)O 7a_100011218179_100011215053 [0,2,0,0,0,0|2,0,0]=4 16047 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100011215053 [0,2,0,0,0,0|1,1,0]=4 16048 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100011215053 [0,2,0,0,0,0|1,1,0]=4 16049 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)C 34a_100000188892_100011215053 [0,2,0,0,0,0|2,0,0]=4 16050 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)C 7a_100000188892_100011215053 [0,2,0,0,0,0|2,0,0]=4 16051 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011215053 [0,2,0,0,0,0|1,0,0]=3 16052 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100011215053 [0,2,0,0,0,0|1,1,0]=4 16053 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100011215053 [0,2,0,0,0,0|1,1,0]=4 16054 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100011215053 [0,2,0,0,0,0|1,1,0]=4 16055 B15R1.10390 COCC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011215053 [0,2,0,0,0,0|2,0,0]=4 16056 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)Br 34a_100000759894_100011215053 [0,2,0,0,0,0|1,1,0]=4 16057 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)Br 7a_100000759894_100011215053 [0,2,0,0,0,0|1,1,0]=4 16058 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)C 34a_100000210958_100011215053 [0,2,0,0,0,0|2,0,0]=4 16059 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)C 7a_100000210958_100011215053 [0,2,0,0,0,0|2,0,0]=4 16060 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100011215053 [0,2,0,0,0,0|1,0,0]=3 16061 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100011215053 [0,2,0,0,0,0|1,0,0]=3 16062 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)F 34a_100000210724_100011215053 [0,2,0,0,0,0|1,1,0]=4 16063 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)F 7a_100000210724_100011215053 [0,2,0,0,0,0|1,1,0]=4 16064 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)I 34a_100011356925_100011215053 [0,2,0,0,0,0|1,1,0]=4 16065 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)I 7a_100011356925_100011215053 [0,2,0,0,0,0|1,1,0]=4 16066 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011215053 [0,2,0,0,0,0|2,0,0]=4 16067 B15R1.10390 COCC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011215053 [0,2,0,0,0,0|2,0,0]=4 16068 B15R1.10390 COCC(O)CNc1ccc(c(c1)I)Br 34a_100000750459_100011215053 [0,2,0,0,0,0|1,1,0]=4 16069 B15R1.10390 COCC(O)CNc1ccc(c(c1)I)C 34a_100000184131_100011215053 [0,2,0,0,0,0|2,0,0]=4 16070 B15R1.10390 COCC(O)CNc1ccc(c(c1)I)C 7a_100000184131_100011215053 [0,2,0,0,0,0|2,0,0]=4 16071 B15R1.10390 COCC(O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100011215053 [0,2,0,0,0,0|1,0,0]=3 16072 B15R1.10390 COCC(O)CNc1ccc(c(c1)I)F 34a_114828291077_100011215053 [0,2,0,0,0,0|1,1,0]=4 16073 B15R1.10390 COCC(O)CNc1ccc(c(c1)I)F 7a_114828291077_100011215053 [0,2,0,0,0,0|1,1,0]=4 16074 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)C 34a_100000759471_100011215053 [0,2,0,0,0,0|2,0,0]=4 16075 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)C 7a_100000759471_100011215053 [0,2,0,0,0,0|2,0,0]=4 16076 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011215053 [0,2,0,0,0,0|1,0,0]=3 16077 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011215053 [0,2,0,0,0,0|1,1,0]=4 16078 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011215053 [0,2,0,0,0,0|1,1,0]=4 16079 B15R1.10390 COCC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011215053 [0,2,0,0,0,0|2,0,0]=4 16080 B15R1.10390 COCC(O)COc1cc(c(cn1)Br)C 34a_100000766222_100011215053 [0,2,0,0,0,0|1,1,0]=4 16081 B15R1.10390 COCC(O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100011215053 [0,2,0,0,0,0|1,1,0]=4 16082 B15R1.10390 COCC(O)COc1cc(c(cn1)C)Br 34a_100009831917_100011215053 [0,2,0,0,0,0|2,0,0]=4 16083 B15R1.10390 COCC(O)COc1cc(c(cn1)Cl)C 34a_200000085746_100011215053 [0,2,0,0,0,0|1,0,0]=3 16084 B15R1.10390 COCC(O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100011215053 [0,2,0,0,0,0|1,0,0]=3 16085 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)C 34a_100011380479_100011215053 [0,2,0,0,0,0|1,0,0]=3 16086 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)C 7a_100011380479_100011215053 [0,2,0,0,0,0|1,0,0]=3 16087 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011215053 [0,2,0,0,0,0|0,0,0]=2 16088 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011215053 [0,2,0,0,0,0|0,0,0]=2 16089 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100011215053 [0,2,0,0,0,0|0,1,0]=3 16090 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100011215053 [0,2,0,0,0,0|0,1,0]=3 16091 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100011215053 [0,2,0,0,0,0|0,1,0]=3 16092 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100011215053 [0,2,0,0,0,0|0,1,0]=3 16093 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)N 34a_100012001276_100011215053 [0,2,0,0,0,0|1,0,0]=3 16094 B15R1.10390 COCC(O)COc1ccc(c(c1)Br)N 7a_100012001276_100011215053 [0,2,0,0,0,0|1,0,0]=3 16095 B15R1.10390 COCC(O)COc1ccc(c(c1)C)Br 34a_100000690111_100011215053 [0,2,0,0,0,0|0,1,0]=3 16096 B15R1.10390 COCC(O)COc1ccc(c(c1)C)Br 7a_100000690111_100011215053 [0,2,0,0,0,0|0,1,0]=3 16097 B15R1.10390 COCC(O)COc1ccc(c(c1)C)C 34a_100000210932_100011215053 [0,2,0,0,0,0|1,0,0]=3 16098 B15R1.10390 COCC(O)COc1ccc(c(c1)C)C 7a_100000210932_100011215053 [0,2,0,0,0,0|1,0,0]=3 16099 B15R1.10390 COCC(O)COc1ccc(c(c1)C)Cl 34a_100000211092_100011215053 [0,2,0,0,0,0|0,0,0]=2 16100 B15R1.10390 COCC(O)COc1ccc(c(c1)C)Cl 7a_100000211092_100011215053 [0,2,0,0,0,0|0,0,0]=2 16101 B15R1.10390 COCC(O)COc1ccc(c(c1)C)F 34a_100000751312_100011215053 [0,2,0,0,0,0|0,1,0]=3 16102 B15R1.10390 COCC(O)COc1ccc(c(c1)C)F 7a_100000751312_100011215053 [0,2,0,0,0,0|0,1,0]=3 16103 B15R1.10390 COCC(O)COc1ccc(c(c1)C)I 34a_100000729255_100011215053 [0,2,0,0,0,0|0,1,0]=3 16104 B15R1.10390 COCC(O)COc1ccc(c(c1)C)I 7a_100000729255_100011215053 [0,2,0,0,0,0|0,1,0]=3 16105 B15R1.10390 COCC(O)COc1ccc(c(c1)C)N 34a_100000756630_100011215053 [0,2,0,0,0,0|1,0,0]=3 16106 B15R1.10390 COCC(O)COc1ccc(c(c1)C)N 7a_100000756630_100011215053 [0,2,0,0,0,0|1,0,0]=3 16107 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011215053 [0,2,0,0,0,0|0,1,0]=3 16108 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011215053 [0,2,0,0,0,0|0,1,0]=3 16109 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)C 34a_100011265682_100011215053 [0,2,0,0,0,0|1,0,0]=3 16110 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)C 7a_100011265682_100011215053 [0,2,0,0,0,0|1,0,0]=3 16111 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011215053 [0,2,0,0,0,0|0,0,0]=2 16112 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215053 [0,2,0,0,0,0|0,0,0]=2 16113 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100011215053 [0,2,0,0,0,0|0,1,0]=3 16114 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100011215053 [0,2,0,0,0,0|0,1,0]=3 16115 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100011215053 [0,2,0,0,0,0|0,1,0]=3 16116 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100011215053 [0,2,0,0,0,0|0,1,0]=3 16117 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)N 34a_100011215599_100011215053 [0,2,0,0,0,0|1,0,0]=3 16118 B15R1.10390 COCC(O)COc1ccc(c(c1)Cl)N 7a_100011215599_100011215053 [0,2,0,0,0,0|1,0,0]=3 16119 B15R1.10390 COCC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100011215053 [0,2,0,0,0,0|0,1,0]=3 16120 B15R1.10390 COCC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100011215053 [0,2,0,0,0,0|0,1,0]=3 16121 B15R1.10390 COCC(O)COc1ccc(c(c1)F)C 34a_100000722560_100011215053 [0,2,0,0,0,0|1,0,0]=3 16122 B15R1.10390 COCC(O)COc1ccc(c(c1)F)C 7a_100000722560_100011215053 [0,2,0,0,0,0|1,0,0]=3 16123 B15R1.10390 COCC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100011215053 [0,2,0,0,0,0|0,0,0]=2 16124 B15R1.10390 COCC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100011215053 [0,2,0,0,0,0|0,0,0]=2 16125 B15R1.10390 COCC(O)COc1ccc(c(c1)F)F 34a_100000181275_100011215053 [0,2,0,0,0,0|0,1,0]=3 16126 B15R1.10390 COCC(O)COc1ccc(c(c1)F)F 7a_100000181275_100011215053 [0,2,0,0,0,0|0,1,0]=3 16127 B15R1.10390 COCC(O)COc1ccc(c(c1)F)I 34a_100009990212_100011215053 [0,2,0,0,0,0|0,1,0]=3 16128 B15R1.10390 COCC(O)COc1ccc(c(c1)F)I 7a_100009990212_100011215053 [0,2,0,0,0,0|0,1,0]=3 16129 B15R1.10390 COCC(O)COc1ccc(c(c1)F)N 34a_100000759473_100011215053 [0,2,0,0,0,0|1,0,0]=3 16130 B15R1.10390 COCC(O)COc1ccc(c(c1)F)N 7a_100000759473_100011215053 [0,2,0,0,0,0|1,0,0]=3 16131 B15R1.10390 COCC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100011215053 [0,2,0,0,0,0|0,1,0]=3 16132 B15R1.10390 COCC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100011215053 [0,2,0,0,0,0|0,1,0]=3 16133 B15R1.10390 COCC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100011215053 [0,2,0,0,0,0|0,0,0]=2 16134 B15R1.10390 COCC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100011215053 [0,2,0,0,0,0|0,0,0]=2 16135 B15R1.10390 COCC(O)COc1ccc(c(c1)I)N 34a_100010084370_100011215053 [0,2,0,0,0,0|1,0,0]=3 16136 B15R1.10390 COCC(O)COc1ccc(c(c1)I)N 7a_100010084370_100011215053 [0,2,0,0,0,0|1,0,0]=3 16137 B15R1.10390 COCC(O)COc1ccc(c(c1)N)Br 34a_100011999798_100011215053 [0,2,0,0,0,0|0,1,0]=3 16138 B15R1.10390 COCC(O)COc1ccc(c(c1)N)Br 7a_100011999798_100011215053 [0,2,0,0,0,0|0,1,0]=3 16139 B15R1.10390 COCC(O)COc1ccc(c(c1)N)C 34a_100011216113_100011215053 [0,2,0,0,0,0|1,0,0]=3 16140 B15R1.10390 COCC(O)COc1ccc(c(c1)N)C 7a_100011216113_100011215053 [0,2,0,0,0,0|1,0,0]=3 16141 B15R1.10390 COCC(O)COc1ccc(c(c1)N)Cl 34a_100011934297_100011215053 [0,2,0,0,0,0|0,0,0]=2 16142 B15R1.10390 COCC(O)COc1ccc(c(c1)N)F 34a_100012017239_100011215053 [0,2,0,0,0,0|0,1,0]=3 16143 B15R1.10390 COCC(O)COc1ccc(c(c1)N)F 7a_100012017239_100011215053 [0,2,0,0,0,0|0,1,0]=3 16144 B15R1.10390 COCC(O)COc1ccc(c(c1)N)N 34a_100025771000_100011215053 [0,2,0,0,0,0|1,0,0]=3 16145 B15R1.10390 COCC(O)COc1ccc(c(n1)C)Br 34a_100000691680_100011215053 [0,2,0,0,0,0|1,1,0]=4 16146 B15R1.10390 COCC(O)COc1ccc(c(n1)C)Cl 34a_200009863735_100011215053 [0,2,0,0,0,0|1,0,0]=3 16147 B15R1.10390 COCC(O)COc1ccc(c(n1)F)Br 34a_100009879308_100011215053 [0,2,0,0,0,0|1,1,0]=4 16148 B15R1.10390 COCC(O)COc1cnc(c(c1)Br)C 34a_100009819603_100011215053 [0,2,0,0,0,0|2,0,0]=4 16149 B15R1.10390 COCC(O)COc1cnc(c(c1)Br)C 7a_100009819603_100011215053 [0,2,0,0,0,0|2,0,0]=4 16150 B15R1.10390 COCC(O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100011215053 [0,2,0,0,0,0|1,0,0]=3 16151 B15R1.10390 COCC(O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100011215053 [0,2,0,0,0,0|1,0,0]=3 16152 B15R1.10390 COCC(O)COc1cnc(c(c1)Br)F 34a_100009817267_100011215053 [0,2,0,0,0,0|1,1,0]=4 16153 B15R1.10390 COCC(O)COc1cnc(c(c1)Br)F 7a_100009817267_100011215053 [0,2,0,0,0,0|1,1,0]=4 16154 B15R1.10390 COCC(O)COc1cnc(c(c1)C)Br 34a_100012000486_100011215053 [0,2,0,0,0,0|1,1,0]=4 16155 B15R1.10390 COCC(O)COc1cnc(c(c1)C)Br 7a_100012000486_100011215053 [0,2,0,0,0,0|1,1,0]=4 16156 B15R1.10390 COCC(O)COc1cnc(c(c1)C)C 34a_100009854398_100011215053 [0,2,0,0,0,0|2,0,0]=4 16157 B15R1.10390 COCC(O)COc1cnc(c(c1)C)C 7a_100009854398_100011215053 [0,2,0,0,0,0|2,0,0]=4 16158 B15R1.10390 COCC(O)COc1cnc(c(c1)C)Cl 34a_100012002680_100011215053 [0,2,0,0,0,0|1,0,0]=3 16159 B15R1.10390 COCC(O)COc1cnc(c(c1)C)Cl 7a_100012002680_100011215053 [0,2,0,0,0,0|1,0,0]=3 16160 B15R1.10390 COCC(O)COc1cnc(c(c1)C)F 34a_100000094615_100011215053 [0,2,0,0,0,0|1,1,0]=4 16161 B15R1.10390 COCC(O)COc1cnc(c(c1)C)F 7a_100000094615_100011215053 [0,2,0,0,0,0|1,1,0]=4 16162 B15R1.10390 COCC(O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100011215053 [0,2,0,0,0,0|1,1,0]=4 16163 B15R1.10390 COCC(O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100011215053 [0,2,0,0,0,0|1,1,0]=4 16164 B15R1.10390 COCC(O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100011215053 [0,2,0,0,0,0|1,0,0]=3 16165 B15R1.10390 COCC(O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100011215053 [0,2,0,0,0,0|1,0,0]=3 16166 B15R1.10390 COCC(O)COc1cnc(c(c1)Cl)F 34a_100000087088_100011215053 [0,2,0,0,0,0|1,1,0]=4 16167 B15R1.10390 COCC(O)COc1cnc(c(c1)Cl)F 7a_100000087088_100011215053 [0,2,0,0,0,0|1,1,0]=4 16168 B15R1.10390 COCC(O)COc1cnc(c(c1)F)Cl 34a_100000063512_100011215053 [0,2,0,0,0,0|1,0,0]=3 16169 B15R1.10390 COCC(O)COc1cnc(c(c1)F)Cl 7a_100000063512_100011215053 [0,2,0,0,0,0|1,0,0]=3 16170 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)Br 62a_100011215053_100012356285 [0,2,0,0,0,0|0,2,0]=4 16171 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100011215053 [0,2,0,0,0,0|0,2,0]=4 16172 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)C 62a_100011215053_100011847877 [0,2,0,0,0,0|1,1,0]=4 16173 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)C 62a_100011847877_100011215053 [0,2,0,0,0,0|1,1,0]=4 16174 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)Cl 62a_100011215053_100012353702 [0,2,0,0,0,0|0,1,0]=3 16175 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100011215053 [0,2,0,0,0,0|0,1,0]=3 16176 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)F 62a_100011215053_100012047266 [0,2,0,0,0,0|0,2,0]=4 16177 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)F 62a_100012047266_100011215053 [0,2,0,0,0,0|0,2,0]=4 16178 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)N 62a_100000750455_100011215053 [0,2,0,0,0,0|1,1,0]=4 16179 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)N 62a_100011215053_100000750455 [0,2,0,0,0,0|1,1,0]=4 16180 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)O 62a_100011215053_100012361655 [0,2,0,0,0,0|1,1,0]=4 16181 B15R1.10390 COCC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011215053 [0,2,0,0,0,0|1,1,0]=4 16182 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)Br 62a_100009813585_100011215053 [0,2,0,0,0,0|0,2,0]=4 16183 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)Br 62a_100011215053_100009813585 [0,2,0,0,0,0|0,2,0]=4 16184 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)C 62a_100011215053_100011215607 [0,2,0,0,0,0|1,1,0]=4 16185 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)C 62a_100011215607_100011215053 [0,2,0,0,0,0|1,1,0]=4 16186 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100011215053 [0,2,0,0,0,0|0,1,0]=3 16187 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)Cl 62a_100011215053_100000049509 [0,2,0,0,0,0|0,1,0]=3 16188 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)F 62a_100011215053_100011218330 [0,2,0,0,0,0|0,2,0]=4 16189 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)F 62a_100011218330_100011215053 [0,2,0,0,0,0|0,2,0]=4 16190 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)N 62a_100000211769_100011215053 [0,2,0,0,0,0|1,1,0]=4 16191 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)N 62a_100011215053_100000211769 [0,2,0,0,0,0|1,1,0]=4 16192 B15R1.10390 COCC(O)CSc1ccc(c(c1)C)O 62a_100011215053_100000186361 [0,2,0,0,0,0|1,1,0]=4 16193 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)Br 62a_100011215053_100012047281 [0,2,0,0,0,0|0,2,0]=4 16194 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100011215053 [0,2,0,0,0,0|0,2,0]=4 16195 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)C 62a_100011215053_100011216363 [0,2,0,0,0,0|1,1,0]=4 16196 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)C 62a_100011216363_100011215053 [0,2,0,0,0,0|1,1,0]=4 16197 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100011215053 [0,2,0,0,0,0|0,1,0]=3 16198 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)Cl 62a_100011215053_100011214914 [0,2,0,0,0,0|0,1,0]=3 16199 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)F 62a_100011215053_100011215976 [0,2,0,0,0,0|0,2,0]=4 16200 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100011215053 [0,2,0,0,0,0|0,2,0]=4 16201 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)N 62a_100011215053_100011218065 [0,2,0,0,0,0|1,1,0]=4 16202 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100011215053 [0,2,0,0,0,0|1,1,0]=4 16203 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)O 62a_100011215053_100012360047 [0,2,0,0,0,0|1,1,0]=4 16204 B15R1.10390 COCC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011215053 [0,2,0,0,0,0|1,1,0]=4 16205 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)Br 62a_100000685389_100011215053 [0,2,0,0,0,0|0,2,0]=4 16206 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)Br 62a_100011215053_100000685389 [0,2,0,0,0,0|0,2,0]=4 16207 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)C 62a_100000720648_100011215053 [0,2,0,0,0,0|1,1,0]=4 16208 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)C 62a_100011215053_100000720648 [0,2,0,0,0,0|1,1,0]=4 16209 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)Cl 62a_100011215053_100011216805 [0,2,0,0,0,0|0,1,0]=3 16210 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100011215053 [0,2,0,0,0,0|0,1,0]=3 16211 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)F 62a_100000703953_100011215053 [0,2,0,0,0,0|0,2,0]=4 16212 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)F 62a_100011215053_100000703953 [0,2,0,0,0,0|0,2,0]=4 16213 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)N 62a_100011215053_100011215594 [0,2,0,0,0,0|1,1,0]=4 16214 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)N 62a_100011215594_100011215053 [0,2,0,0,0,0|1,1,0]=4 16215 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011215053 [0,2,0,0,0,0|1,1,0]=4 16216 B15R1.10390 COCC(O)CSc1ccc(c(c1)F)O 62a_100011215053_100000185481 [0,2,0,0,0,0|1,1,0]=4 16217 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)Br 62a_100000750456_100011215053 [0,2,0,0,0,0|0,2,0]=4 16218 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)Br 62a_100011215053_100000750456 [0,2,0,0,0,0|0,2,0]=4 16219 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)C 62a_100000761890_100011215053 [0,2,0,0,0,0|1,1,0]=4 16220 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)C 62a_100011215053_100000761890 [0,2,0,0,0,0|1,1,0]=4 16221 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)Cl 62a_100011215053_200000761891 [0,2,0,0,0,0|0,1,0]=3 16222 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100011215053 [0,2,0,0,0,0|0,1,0]=3 16223 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)F 62a_100000740924_100011215053 [0,2,0,0,0,0|0,2,0]=4 16224 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)F 62a_100011215053_100000740924 [0,2,0,0,0,0|0,2,0]=4 16225 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)N 62a_100000741789_100011215053 [0,2,0,0,0,0|1,1,0]=4 16226 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)N 62a_100011215053_100011534411 [0,2,0,0,0,0|1,1,0]=4 16227 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011215053 [0,2,0,0,0,0|1,1,0]=4 16228 B15R1.10390 COCC(O)CSc1ccc(c(c1)N)O 62a_100011215053_100000752626 [0,2,0,0,0,0|1,1,0]=4 16229 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Br 62a_100011215053_100012356990 [0,2,0,0,0,0|0,2,0]=4 16230 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011215053 [0,2,0,0,0,0|0,2,0]=4 16231 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)C 62a_100000685420_100011215053 [0,2,0,0,0,0|1,1,0]=4 16232 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)C 62a_100011215053_100000685420 [0,2,0,0,0,0|1,1,0]=4 16233 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Cl 62a_100011215053_100011356854 [0,2,0,0,0,0|0,1,0]=3 16234 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011215053 [0,2,0,0,0,0|0,1,0]=3 16235 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011215053 [0,2,0,0,0,0|0,2,0]=4 16236 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)F 62a_100011215053_100000686035 [0,2,0,0,0,0|0,2,0]=4 16237 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)N 62a_100000739049_100011215053 [0,2,0,0,0,0|1,1,0]=4 16238 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)N 62a_100011215053_100000739049 [0,2,0,0,0,0|1,1,0]=4 16239 B15R1.10390 COCC(O)CSc1ccc(c(c1)O)O 62a_100011215053_100009813601 [0,2,0,0,0,0|1,1,0]=4 16240 B15R1.10390 COCC(O)CSc1cnc(c(c1)Br)Cl 62a_100010172733_100011215053 [0,2,0,0,0,0|1,1,0]=4 16241 B15R1.10390 COCC(O)CSc1cnc(c(c1)Br)Cl 62a_100011215053_100010172733 [0,2,0,0,0,0|1,1,0]=4 16242 B15R1.10390 COCC(O)CSc1cnc(c(c1)C)Cl 62a_100009922867_100011215053 [0,2,0,0,0,0|1,1,0]=4 16243 B15R1.10390 COCC(O)CSc1cnc(c(c1)C)Cl 62a_100011215053_100009922867 [0,2,0,0,0,0|1,1,0]=4 16244 B15R1.10390 COCC(O)CSc1cnc(c(c1)N)Cl 62a_100009828400_100011215053 [0,2,0,0,0,0|1,1,0]=4 16245 B15R1.10390 COCC(O)CSc1cnc(c(c1)N)Cl 62a_100011215053_100009828400 [0,2,0,0,0,0|1,1,0]=4 16246 B15R1.10390 Cc1cc(ccc1Br)OC[C@@H](O)CC#N 7a_100000690111_100000001066 [0,2,0,0,0,0|1,1,0]=4 16247 B15R1.10390 Cc1cc(ccc1Cl)NC[C@@H](O)CC#N 2230a_100000187808_100000001066 [0,2,0,0,0,0|2,0,0]=4 16248 B15R1.10390 Cc1cc(ccc1Cl)NC[C@@H](O)CC#N 7a_100000187808_100000001066 [0,2,0,0,0,0|2,0,0]=4 16249 B15R1.10390 Cc1cc(ccc1Cl)OCC(=O)CCO 1458a_100000182483_100000211926 [0,2,0,0,0,0|0,0,2]=4 16250 B15R1.10390 Cc1cc(ccc1Cl)OCC(=O)NCO 34a_100000211092_100000185155 [0,2,0,0,0,0|0,0,2]=4 16251 B15R1.10390 Cc1cc(ccc1Cl)OCC(=O)NCO 7a_100000211092_100000185155 [0,2,0,0,0,0|0,0,2]=4 16252 B15R1.10390 Cc1cc(ccc1Cl)OCC(O)CN[13CH3] 2230a_100011226696_200025704644 [0,2,0,0,0,0|1,0,0]=3 16253 B15R1.10390 Cc1cc(ccc1Cl)OCC(O)CN[13CH3] 34a_100011226696_200025704644 [0,2,0,0,0,0|1,0,0]=3 16254 B15R1.10390 Cc1cc(ccc1Cl)OC[C@@H](O)CC#N 7a_100000211092_100000001066 [0,2,0,0,0,0|1,0,0]=3 16255 B15R1.10390 Cc1cc(ccc1Cl)SC[C@@H](O)CC#N 62a_100000001066_100000049509 [0,2,0,0,0,0|1,1,0]=4 16256 B15R1.10390 Cc1cc(ccc1Cl)SC[C@@H](O)CC#N 62a_100000049509_100000001066 [0,2,0,0,0,0|1,1,0]=4 16257 B15R1.10390 Cc1cc(ccc1F)OC[C@@H](O)CC#N 7a_100000751312_100000001066 [0,2,0,0,0,0|1,1,0]=4 16258 B15R1.10390 Cc1cc(ccc1I)OC[C@@H](O)CC#N 7a_100000729255_100000001066 [0,2,0,0,0,0|1,1,0]=4 16259 B15R1.10390 Cc1cc(ccc1N)OC[C@@H](O)CC#N 7a_100000756630_100000001066 [0,2,0,0,0,0|2,0,0]=4 16260 B15R1.10390 Cc1cc(cnc1Cl)OC[C@@H](O)CC#N 7a_100012002680_100000001066 [0,2,0,0,0,0|2,0,0]=4 16261 B15R1.10390 Cc1ccc(cc1Br)OC[C@@H](O)CC#N 7a_100011380479_100000001066 [0,2,0,0,0,0|2,0,0]=4 16262 B15R1.10390 Cc1ccc(cc1C)OC[C@@H](O)CC#N 7a_100000210932_100000001066 [0,2,0,0,0,0|2,0,0]=4 16263 B15R1.10390 Cc1ccc(cc1Cl)OC[C@@H](O)CC#N 7a_100011265682_100000001066 [0,2,0,0,0,0|2,0,0]=4 16264 B15R1.10390 Cc1ccc(cc1F)OC[C@@H](O)CC#N 7a_100000722560_100000001066 [0,2,0,0,0,0|2,0,0]=4 16265 B15R1.10390 Cc1ccc(cc1N)OC[C@@H](O)CC#N 7a_100011216113_100000001066 [0,2,0,0,0,0|2,0,0]=4 16266 B15R1.10390 N#CC[C@H](O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000001066 [0,2,0,0,0,0|2,0,0]=4 16267 B15R1.10390 N#CC[C@H](O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000001066 [0,2,0,0,0,0|2,0,0]=4 16268 B15R1.10390 N#CC[C@H](O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000001066 [0,2,0,0,0,0|2,0,0]=4 16269 B15R1.10390 N#CC[C@H](O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000001066 [0,2,0,0,0,0|2,0,0]=4 16270 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000001066 [0,2,0,0,0,0|1,0,0]=3 16271 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Br)F 7a_100000693481_100000001066 [0,2,0,0,0,0|1,1,0]=4 16272 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Br)I 7a_100000701344_100000001066 [0,2,0,0,0,0|1,1,0]=4 16273 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Br)N 7a_100012001276_100000001066 [0,2,0,0,0,0|2,0,0]=4 16274 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000001066 [0,2,0,0,0,0|1,1,0]=4 16275 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000001066 [0,2,0,0,0,0|1,0,0]=3 16276 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000001066 [0,2,0,0,0,0|1,1,0]=4 16277 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000001066 [0,2,0,0,0,0|1,1,0]=4 16278 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000001066 [0,2,0,0,0,0|2,0,0]=4 16279 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)F)Br 7a_100000755031_100000001066 [0,2,0,0,0,0|1,1,0]=4 16280 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000001066 [0,2,0,0,0,0|1,0,0]=3 16281 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)F)F 7a_100000181275_100000001066 [0,2,0,0,0,0|1,1,0]=4 16282 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)F)I 7a_100009990212_100000001066 [0,2,0,0,0,0|1,1,0]=4 16283 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)F)N 7a_100000759473_100000001066 [0,2,0,0,0,0|2,0,0]=4 16284 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)I)Br 7a_100012339312_100000001066 [0,2,0,0,0,0|1,1,0]=4 16285 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000001066 [0,2,0,0,0,0|1,0,0]=3 16286 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)I)N 7a_100010084370_100000001066 [0,2,0,0,0,0|2,0,0]=4 16287 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)N)Br 7a_100011999798_100000001066 [0,2,0,0,0,0|1,1,0]=4 16288 B15R1.10390 N#CC[C@H](O)COc1ccc(c(c1)N)F 7a_100012017239_100000001066 [0,2,0,0,0,0|1,1,0]=4 16289 B15R1.10390 N#CC[C@H](O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000001066 [0,2,0,0,0,0|2,0,0]=4 16290 B15R1.10390 N#CC[C@H](O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000001066 [0,2,0,0,0,0|2,0,0]=4 16291 B15R1.10390 N#CC[C@H](O)COc1cnc(c(c1)F)Cl 7a_100000063512_100000001066 [0,2,0,0,0,0|2,0,0]=4 16292 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)Br)Cl 62a_100000001066_100012353702 [0,2,0,0,0,0|1,1,0]=4 16293 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000001066 [0,2,0,0,0,0|1,1,0]=4 16294 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100000001066_100011214914 [0,2,0,0,0,0|1,1,0]=4 16295 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000001066 [0,2,0,0,0,0|1,1,0]=4 16296 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)F)Cl 62a_100000001066_100011216805 [0,2,0,0,0,0|1,1,0]=4 16297 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000001066 [0,2,0,0,0,0|1,1,0]=4 16298 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)N)Cl 62a_100000001066_200000761891 [0,2,0,0,0,0|1,1,0]=4 16299 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000001066 [0,2,0,0,0,0|1,1,0]=4 16300 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)O)Cl 62a_100000001066_100011356854 [0,2,0,0,0,0|1,1,0]=4 16301 B15R1.10390 N#CC[C@H](O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000001066 [0,2,0,0,0,0|1,1,0]=4 16302 B15R1.10390 Nc1cc(ccc1Cl)OCC(=O)NCO 34a_100011934297_100000185155 [0,2,0,0,0,0|0,0,2]=4 16303 B15R1.10390 O=C(CCO)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_100000211926 [0,2,0,0,0,0|0,0,2]=4 16304 B15R1.10390 O=C(CCO)COc1ccc(c(c1)F)Cl 1458a_100012982646_100000211926 [0,2,0,0,0,0|0,0,2]=4 16305 B15R1.10390 O=C(COc1ccc(c(c1)Br)Cl)NCO 34a_100011933957_100000185155 [0,2,0,0,0,0|0,0,2]=4 16306 B15R1.10390 O=C(COc1ccc(c(c1)Br)Cl)NCO 7a_100011933957_100000185155 [0,2,0,0,0,0|0,0,2]=4 16307 B15R1.10390 O=C(COc1ccc(c(c1)Cl)Cl)NCO 34a_100000211054_100000185155 [0,2,0,0,0,0|0,0,2]=4 16308 B15R1.10390 O=C(COc1ccc(c(c1)Cl)Cl)NCO 7a_100000211054_100000185155 [0,2,0,0,0,0|0,0,2]=4 16309 B15R1.10390 O=C(COc1ccc(c(c1)F)Cl)NCO 34a_100000691581_100000185155 [0,2,0,0,0,0|0,0,2]=4 16310 B15R1.10390 O=C(COc1ccc(c(c1)F)Cl)NCO 7a_100000691581_100000185155 [0,2,0,0,0,0|0,0,2]=4 16311 B15R1.10390 O=C(COc1ccc(c(c1)I)Cl)NCO 34a_100000049588_100000185155 [0,2,0,0,0,0|0,0,2]=4 16312 B15R1.10390 O=C(COc1ccc(c(c1)I)Cl)NCO 7a_100000049588_100000185155 [0,2,0,0,0,0|0,0,2]=4 16313 B15R1.462 CCC(CC)COc1ccc(cc1Br)Cl 34a_100000211998_100011215472 [0,2,0,0,0,0|2,0,0]=4 16314 B15R1.462 CCC(CC)COc1ccc(cc1Br)Cl 7a_100000211998_100011215472 [0,2,0,0,0,0|2,0,0]=4 16315 B15R1.462 CCC(CC)COc1ccc(cc1C)Cl 34a_100000211091_100011215472 [0,2,0,0,0,0|2,0,0]=4 16316 B15R1.462 CCC(CC)COc1ccc(cc1C)Cl 7a_100000211091_100011215472 [0,2,0,0,0,0|2,0,0]=4 16317 B15R1.462 CCC(CC)COc1ccc(cc1Cl)Cl 34a_100015191787_100011215472 [0,2,0,0,0,0|2,0,0]=4 16318 B15R1.462 CCC(CC)COc1ccc(cc1Cl)Cl 7a_100015191787_100011215472 [0,2,0,0,0,0|2,0,0]=4 16319 B15R1.462 CCC(CC)COc1ccc(cc1F)Cl 34a_100000230166_100011215472 [0,2,0,0,0,0|2,0,0]=4 16320 B15R1.462 CCC(CC)COc1ccc(cc1F)Cl 7a_100000230166_100011215472 [0,2,0,0,0,0|2,0,0]=4 16321 B15R1.462 CCC(CC)COc1ccc(cc1I)Cl 34a_100011356953_100011215472 [0,2,0,0,0,0|2,0,0]=4 16322 B15R1.462 CCC(CC)COc1ccc(cc1I)Cl 7a_100011356953_100011215472 [0,2,0,0,0,0|2,0,0]=4 16323 B15R1.462 CCC(CC)COc1ccc(cc1N)Cl 34a_100000210500_100011215472 [0,2,0,0,0,0|2,0,0]=4 16324 B15R1.462 CCC(CC)COc1ccc(cc1N)Cl 7a_100000210500_100011215472 [0,2,0,0,0,0|2,0,0]=4 16325 B15R1.462 COC(CN)COc1ccc(cc1C)C 34a_100015185969_200000210301 [0,2,0,0,0,0|2,0,0]=4 16326 B15R1.462 COC(COc1ccc(cc1Br)Cl)OC 34a_100000211998_100000211822 [0,2,0,0,0,0|2,0,0]=4 16327 B15R1.462 COC(COc1ccc(cc1Br)Cl)OC 7a_100000211998_100000751394 [0,2,0,0,0,0|2,0,0]=4 16328 B15R1.462 COC(COc1ccc(cc1C)Cl)OC 34a_100000211091_100000211822 [0,2,0,0,0,0|2,0,0]=4 16329 B15R1.462 COC(COc1ccc(cc1C)Cl)OC 7a_100000211091_100000751394 [0,2,0,0,0,0|2,0,0]=4 16330 B15R1.462 COC(COc1ccc(cc1Cl)Cl)OC 34a_100015191787_100000211822 [0,2,0,0,0,0|2,0,0]=4 16331 B15R1.462 COC(COc1ccc(cc1Cl)Cl)OC 7a_100015191787_100000751394 [0,2,0,0,0,0|2,0,0]=4 16332 B15R1.462 COC(COc1ccc(cc1F)Cl)OC 34a_100000230166_100000211822 [0,2,0,0,0,0|2,0,0]=4 16333 B15R1.462 COC(COc1ccc(cc1F)Cl)OC 7a_100000230166_100000751394 [0,2,0,0,0,0|2,0,0]=4 16334 B15R1.462 COC(COc1ccc(cc1I)Cl)OC 34a_100011356953_100000211822 [0,2,0,0,0,0|2,0,0]=4 16335 B15R1.462 COC(COc1ccc(cc1I)Cl)OC 7a_100011356953_100000751394 [0,2,0,0,0,0|2,0,0]=4 16336 B15R1.462 COC(COc1ccc(cc1N)Cl)OC 34a_100000210500_100000211822 [0,2,0,0,0,0|2,0,0]=4 16337 B15R1.462 COC(COc1ccc(cc1N)Cl)OC 7a_100000210500_100000751394 [0,2,0,0,0,0|2,0,0]=4 16338 B15R1.462 Cc1cc(ccc1CNC(CO)CO)Cl 207a_100000759517_100000766358 [0,2,0,0,0,0|2,0,0]=4 16339 B15R1.462 Cc1cc(ccc1CNC(CO)CO)Cl 2230a_100000759517_100012361307 [0,2,0,0,0,0|2,0,0]=4 16340 B15R1.462 Cc1ccc(c(c1)C)OCC(CN)O[13CH3] 34a_100015185969_200025704644 [0,2,0,0,0,0|2,0,0]=4 16341 B15R1.462 OCC(CO)NCc1ccc(cc1Br)Cl 207a_100000759517_100000687667 [0,2,0,0,0,0|2,0,0]=4 16342 B15R1.462 OCC(CO)NCc1ccc(cc1Br)Cl 2230a_100000759517_100000755608 [0,2,0,0,0,0|2,0,0]=4 16343 B15R1.462 OCC(CO)NCc1ccc(cc1Cl)Cl 207a_100000759517_100000188887 [0,2,0,0,0,0|2,0,0]=4 16344 B15R1.462 OCC(CO)NCc1ccc(cc1Cl)Cl 2230a_100000759517_100000188473 [0,2,0,0,0,0|2,0,0]=4 16345 B15R1.462 OCC(CO)NCc1ccc(cc1F)Cl 207a_100000759517_100000697372 [0,2,0,0,0,0|2,0,0]=4 16346 B15R1.462 OCC(CO)NCc1ccc(cc1F)Cl 2230a_100000759517_100000709361 [0,2,0,0,0,0|2,0,0]=4 16347 B15R1.462 OCC(CO)NCc1ccc(cc1I)Cl 2230a_100000759517_100010254388 [0,2,0,0,0,0|2,0,0]=4 16348 B15R1.1361 C[C@@H](O)[C@@H](CO)NCc1ccc(cc1)Cl 207a_100015196842_100000189385 [0,2,0,0,0,0|2,0,0]=4 16349 B15R1.1361 C[C@@H](O)[C@@H](CO)NCc1ccc(cc1)Cl 2230a_100015196842_100000694040 [0,2,0,0,0,0|2,0,0]=4 16350 B15R1.1361 C[C@@H](O)[C@@H](CO)NCc1ccc(cc1)Cl 34a_100015196842_100000694040 [0,2,0,0,0,0|2,0,0]=4 16351 B15R1.1361 O=C(O)C(CO)NCc1ccc(cc1)Cl 269956a_100000187304_100000187161 [0,2,0,0,0,0|2,0,0]=4 16352 B15R1.8626 CCC(CC)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011215472 [0,2,0,0,0,0|2,0,0]=4 16353 B15R1.8626 CCC(CC)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011215472 [0,2,0,0,0,0|2,0,0]=4 16354 B15R1.8626 CCC(CC)COc1ccc(c(c1)C)Cl 34a_100000211092_100011215472 [0,2,0,0,0,0|2,0,0]=4 16355 B15R1.8626 CCC(CC)COc1ccc(c(c1)C)Cl 7a_100000211092_100011215472 [0,2,0,0,0,0|2,0,0]=4 16356 B15R1.8626 CCC(CC)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011215472 [0,2,0,0,0,0|2,0,0]=4 16357 B15R1.8626 CCC(CC)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011215472 [0,2,0,0,0,0|2,0,0]=4 16358 B15R1.8626 CCC(CC)COc1ccc(c(c1)F)Cl 34a_100000691581_100011215472 [0,2,0,0,0,0|2,0,0]=4 16359 B15R1.8626 CCC(CC)COc1ccc(c(c1)F)Cl 7a_100000691581_100011215472 [0,2,0,0,0,0|2,0,0]=4 16360 B15R1.8626 CCC(CC)COc1ccc(c(c1)I)Cl 34a_100000049588_100011215472 [0,2,0,0,0,0|2,0,0]=4 16361 B15R1.8626 CCC(CC)COc1ccc(c(c1)I)Cl 7a_100000049588_100011215472 [0,2,0,0,0,0|2,0,0]=4 16362 B15R1.8626 CCC(CC)COc1ccc(c(c1)N)Cl 34a_100011934297_100011215472 [0,2,0,0,0,0|2,0,0]=4 16363 B15R1.8626 COC(CN)COc1ccc(c(c1)C)Cl 34a_100011226696_200000210301 [0,2,0,0,0,0|1,0,0]=3 16364 B15R1.8626 COC(COc1ccc(c(c1)Br)Cl)OC 34a_100011933957_100000211822 [0,2,0,0,0,0|2,0,0]=4 16365 B15R1.8626 COC(COc1ccc(c(c1)Br)Cl)OC 7a_100011933957_100000751394 [0,2,0,0,0,0|2,0,0]=4 16366 B15R1.8626 COC(COc1ccc(c(c1)C)Cl)OC 34a_100000211092_100000211822 [0,2,0,0,0,0|2,0,0]=4 16367 B15R1.8626 COC(COc1ccc(c(c1)C)Cl)OC 7a_100000211092_100000751394 [0,2,0,0,0,0|2,0,0]=4 16368 B15R1.8626 COC(COc1ccc(c(c1)Cl)Cl)OC 34a_100000211054_100000211822 [0,2,0,0,0,0|2,0,0]=4 16369 B15R1.8626 COC(COc1ccc(c(c1)Cl)Cl)OC 7a_100000211054_100000751394 [0,2,0,0,0,0|2,0,0]=4 16370 B15R1.8626 COC(COc1ccc(c(c1)F)Cl)OC 34a_100000691581_100000211822 [0,2,0,0,0,0|2,0,0]=4 16371 B15R1.8626 COC(COc1ccc(c(c1)F)Cl)OC 7a_100000691581_100000751394 [0,2,0,0,0,0|2,0,0]=4 16372 B15R1.8626 COC(COc1ccc(c(c1)I)Cl)OC 34a_100000049588_100000211822 [0,2,0,0,0,0|2,0,0]=4 16373 B15R1.8626 COC(COc1ccc(c(c1)I)Cl)OC 7a_100000049588_100000751394 [0,2,0,0,0,0|2,0,0]=4 16374 B15R1.8626 COC(COc1ccc(c(c1)N)Cl)OC 34a_100011934297_100000211822 [0,2,0,0,0,0|2,0,0]=4 16375 B15R1.8626 Cc1cc(ccc1Cl)CNC(CO)CO 207a_100000759517_100000698814 [0,2,0,0,0,0|2,0,0]=4 16376 B15R1.8626 Cc1cc(ccc1Cl)CNC(CO)CO 2230a_100000759517_100012184735 [0,2,0,0,0,0|2,0,0]=4 16377 B15R1.8626 Cc1cc(ccc1Cl)OCC(CN)O[13CH3] 34a_100011226696_200025704644 [0,2,0,0,0,0|1,0,0]=3 16378 B15R1.8626 OCC(CO)NCc1ccc(c(c1)Br)Cl 207a_100000759517_100000693810 [0,2,0,0,0,0|2,0,0]=4 16379 B15R1.8626 OCC(CO)NCc1ccc(c(c1)Br)Cl 2230a_100000759517_100012353894 [0,2,0,0,0,0|2,0,0]=4 16380 B15R1.8626 OCC(CO)NCc1ccc(c(c1)Cl)Cl 207a_100000759517_100000188533 [0,2,0,0,0,0|2,0,0]=4 16381 B15R1.8626 OCC(CO)NCc1ccc(c(c1)Cl)Cl 2230a_100000759517_100000184707 [0,2,0,0,0,0|2,0,0]=4 16382 B15R1.8626 OCC(CO)NCc1ccc(c(c1)F)Cl 207a_100000759517_100000745630 [0,2,0,0,0,0|2,0,0]=4 16383 B15R1.8626 OCC(CO)NCc1ccc(c(c1)F)Cl 2230a_100000759517_100000716492 [0,2,0,0,0,0|2,0,0]=4 16384 B15R1.8626 OCC(CO)NCc1ccc(c(c1)I)Cl 207a_100000759517_100010209939 [0,2,0,0,0,0|2,0,0]=4 16385 B15R1.894 Cc1ccc(cc1)OCC(O)C(F)(F)F 34a_100000210336_100000185343 [0,2,0,0,0,0|2,0,0]=4 16386 B15R1.894 Cc1ccc(cc1)OCC(O)C(F)(F)F 7a_100000210336_100000185343 [0,2,0,0,0,0|2,0,0]=4 16387 B15R1.894 Nc1ccc(cc1)OCC(O)C(F)(F)F 34a_100000185829_100000185343 [0,2,0,0,0,0|2,0,0]=4 16388 B15R1.894 OC(CNc1ccc(cc1)Cl)C(F)(F)F 34a_100000210052_100000185343 [0,2,0,0,0,0|2,0,0]=4 16389 B15R1.894 OC(COc1ccc(cc1)Br)C(F)(F)F 34a_100000185759_100000185343 [0,2,0,0,0,0|1,1,0]=4 16390 B15R1.894 OC(COc1ccc(cc1)Br)C(F)(F)F 7a_100000185759_100000185343 [0,2,0,0,0,0|1,1,0]=4 16391 B15R1.894 OC(COc1ccc(cc1)Cl)C(F)(F)F 34a_100000210216_100000185343 [0,2,0,0,0,0|1,0,0]=3 16392 B15R1.894 OC(COc1ccc(cc1)Cl)C(F)(F)F 7a_100000210216_100000185343 [0,2,0,0,0,0|1,0,0]=3 16393 B15R1.894 OC(COc1ccc(cc1)F)C(F)(F)F 34a_100000210339_100000185343 [0,2,0,0,0,0|1,1,0]=4 16394 B15R1.894 OC(COc1ccc(cc1)I)C(F)(F)F 34a_100000212066_100000185343 [0,2,0,0,0,0|1,1,0]=4 16395 B15R1.894 OC(COc1ccc(cc1)I)C(F)(F)F 7a_100000212066_100000185343 [0,2,0,0,0,0|1,1,0]=4 16396 B15R1.894 OC(COc1ccc(cn1)Cl)C(F)(F)F 34a_100011215309_100000185343 [0,2,0,0,0,0|2,0,0]=4 16397 B15R1.894 OC(COc1ccc(nc1)Cl)C(F)(F)F 34a_100000744096_100000185343 [0,2,0,0,0,0|2,0,0]=4 16398 B15R1.894 OC(COc1ccc(nc1)Cl)C(F)(F)F 7a_100000744096_100000185343 [0,2,0,0,0,0|2,0,0]=4 16399 B15R1.894 OC(CSc1ccc(cc1)Cl)C(F)(F)F 62a_100000185343_100000755918 [0,2,0,0,0,0|1,1,0]=4 16400 B15R1.894 OC(CSc1ccc(cc1)Cl)C(F)(F)F 62a_100000755918_100000185343 [0,2,0,0,0,0|1,1,0]=4 16401 B15R1.11472 C=CC(O)COc1cc(c(cc1Br)Cl)C 34a_100022700756_100000730141 [0,2,0,0,0,0|1,0,1]=4 16402 B15R1.11472 C=CC(O)COc1cc(c(cc1Br)Cl)C 7a_100022700756_100000730141 [0,2,0,0,0,0|1,0,1]=4 16403 B15R1.11472 C=CC(O)COc1cc(c(cc1C)Cl)N 34a_100000092876_100000730141 [0,2,0,0,0,0|1,0,1]=4 16404 B15R1.11472 C=CC(O)COc1cc(c(cc1C)Cl)N 7a_100000092876_100000730141 [0,2,0,0,0,0|1,0,1]=4 16405 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000730141 [0,2,0,0,0,0|1,0,1]=4 16406 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000730141 [0,2,0,0,0,0|1,0,1]=4 16407 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)C 34a_100012002691_100000730141 [0,2,0,0,0,0|1,0,1]=4 16408 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)C 7a_100012002691_100000730141 [0,2,0,0,0,0|1,0,1]=4 16409 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000730141 [0,2,0,0,0,0|1,0,1]=4 16410 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000730141 [0,2,0,0,0,0|1,0,1]=4 16411 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000730141 [0,2,0,0,0,0|1,0,1]=4 16412 B15R1.11472 C=CC(O)COc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000730141 [0,2,0,0,0,0|1,0,1]=4 16413 B15R1.11472 C=CC(O)COc1cc(c(cc1N)Cl)C 34a_100000091707_100000730141 [0,2,0,0,0,0|1,0,1]=4 16414 B15R1.11472 C=CC(O)COc1cc(c(cc1N)Cl)C 7a_100000091707_100000730141 [0,2,0,0,0,0|1,0,1]=4 16415 B15R1.11472 C=CC(O)COc1cc(c(cc1N)Cl)Cl 34a_100000696747_100000730141 [0,2,0,0,0,0|1,0,1]=4 16416 B15R1.11472 C=CC(O)COc1cc(c(cc1N)Cl)Cl 7a_100000696747_100000730141 [0,2,0,0,0,0|1,0,1]=4 16417 B15R1.11472 CCC(C)COc1cc(c(cc1Br)Cl)C 34a_100022700756_100000748023 [0,2,0,0,0,0|2,0,0]=4 16418 B15R1.11472 CCC(C)COc1cc(c(cc1Br)Cl)C 7a_100022700756_100000748023 [0,2,0,0,0,0|2,0,0]=4 16419 B15R1.11472 CCC(C)COc1cc(c(cc1C)Cl)N 34a_100000092876_100000748023 [0,2,0,0,0,0|2,0,0]=4 16420 B15R1.11472 CCC(C)COc1cc(c(cc1C)Cl)N 7a_100000092876_100000748023 [0,2,0,0,0,0|2,0,0]=4 16421 B15R1.11472 CCC(C)COc1cc(c(cc1Cl)Cl)C 34a_100012002691_100000748023 [0,2,0,0,0,0|2,0,0]=4 16422 B15R1.11472 CCC(C)COc1cc(c(cc1Cl)Cl)C 7a_100012002691_100000748023 [0,2,0,0,0,0|2,0,0]=4 16423 B15R1.11472 CCC(C)COc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000748023 [0,2,0,0,0,0|2,0,0]=4 16424 B15R1.11472 CCC(C)COc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000748023 [0,2,0,0,0,0|2,0,0]=4 16425 B15R1.11472 CCC(C)COc1cc(c(cc1N)Cl)C 34a_100000091707_100000748023 [0,2,0,0,0,0|2,0,0]=4 16426 B15R1.11472 CCC(C)COc1cc(c(cc1N)Cl)C 7a_100000091707_100000748023 [0,2,0,0,0,0|2,0,0]=4 16427 B15R1.11472 CCC(C)COc1cc(c(cc1N)Cl)Cl 34a_100000696747_100000748023 [0,2,0,0,0,0|2,0,0]=4 16428 B15R1.11472 CCC(C)COc1cc(c(cc1N)Cl)Cl 7a_100000696747_100000748023 [0,2,0,0,0,0|2,0,0]=4 16429 B15R1.11472 CCC(O)CNc1cc(c(cc1Br)Cl)F 34a_100010254744_100011218378 [0,2,0,0,0,0|2,0,0]=4 16430 B15R1.11472 CCC(O)CNc1cc(c(cc1Br)Cl)F 7a_100010254744_100011218378 [0,2,0,0,0,0|2,0,0]=4 16431 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)Br 2230a_100010244688_100011218378 [0,2,0,0,0,0|2,0,0]=4 16432 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)Br 34a_100010244688_100011218378 [0,2,0,0,0,0|2,0,0]=4 16433 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)Br 7a_100010244688_100011218378 [0,2,0,0,0,0|2,0,0]=4 16434 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)C 2230a_100011830454_100011218378 [0,2,0,0,0,0|2,0,0]=4 16435 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)C 34a_100011830454_100011218378 [0,2,0,0,0,0|2,0,0]=4 16436 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)C 7a_100011830454_100011218378 [0,2,0,0,0,0|2,0,0]=4 16437 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)Cl 34a_100012017293_100011218378 [0,2,0,0,0,0|2,0,0]=4 16438 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)Cl 7a_100012017293_100011218378 [0,2,0,0,0,0|2,0,0]=4 16439 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)O 34a_100009961766_100011218378 [0,2,0,0,0,0|2,0,0]=4 16440 B15R1.11472 CCC(O)CNc1cc(c(cc1C)Cl)O 7a_100009961766_100011218378 [0,2,0,0,0,0|2,0,0]=4 16441 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100011218378 [0,2,0,0,0,0|2,0,0]=4 16442 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100011218378 [0,2,0,0,0,0|2,0,0]=4 16443 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)C 34a_100012000392_100011218378 [0,2,0,0,0,0|2,0,0]=4 16444 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)C 7a_100012000392_100011218378 [0,2,0,0,0,0|2,0,0]=4 16445 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100011218378 [0,2,0,0,0,0|2,0,0]=4 16446 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100011218378 [0,2,0,0,0,0|2,0,0]=4 16447 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100011218378 [0,2,0,0,0,0|2,0,0]=4 16448 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100011218378 [0,2,0,0,0,0|2,0,0]=4 16449 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100011218378 [0,2,0,0,0,0|2,0,0]=4 16450 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100011218378 [0,2,0,0,0,0|2,0,0]=4 16451 B15R1.11472 CCC(O)CNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100011218378 [0,2,0,0,0,0|2,0,0]=4 16452 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)Br 34a_100013023876_100011218378 [0,2,0,0,0,0|2,0,0]=4 16453 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)Br 7a_100013023876_100011218378 [0,2,0,0,0,0|2,0,0]=4 16454 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)C 34a_100000091823_100011218378 [0,2,0,0,0,0|2,0,0]=4 16455 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)C 7a_100000091823_100011218378 [0,2,0,0,0,0|2,0,0]=4 16456 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100011218378 [0,2,0,0,0,0|2,0,0]=4 16457 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100011218378 [0,2,0,0,0,0|2,0,0]=4 16458 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)F 34a_100011998097_100011218378 [0,2,0,0,0,0|2,0,0]=4 16459 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)F 7a_100011998097_100011218378 [0,2,0,0,0,0|2,0,0]=4 16460 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)O 34a_100000042052_100011218378 [0,2,0,0,0,0|2,0,0]=4 16461 B15R1.11472 CCC(O)CNc1cc(c(cc1F)Cl)O 7a_100000042052_100011218378 [0,2,0,0,0,0|2,0,0]=4 16462 B15R1.11472 CCC(O)CNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100011218378 [0,2,0,0,0,0|2,0,0]=4 16463 B15R1.11472 CCC(O)CNc1cc(c(cc1I)Cl)F 34a_100010892166_100011218378 [0,2,0,0,0,0|2,0,0]=4 16464 B15R1.11472 CCC(O)CNc1cc(c(cc1I)Cl)F 7a_100010892166_100011218378 [0,2,0,0,0,0|2,0,0]=4 16465 B15R1.11472 CCC(O)CNc1cc(c(cc1O)Cl)Br 34a_100013488937_100011218378 [0,2,0,0,0,0|2,0,0]=4 16466 B15R1.11472 CCC(O)CNc1cc(c(cc1O)Cl)Br 7a_100013488937_100011218378 [0,2,0,0,0,0|2,0,0]=4 16467 B15R1.11472 CCC(O)CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100011218378 [0,2,0,0,0,0|2,0,0]=4 16468 B15R1.11472 CCC(O)CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100011218378 [0,2,0,0,0,0|2,0,0]=4 16469 B15R1.11472 CCC(O)COc1cc(c(cc1Br)C)C 34a_100009814663_100011218378 [0,2,0,0,0,0|2,0,0]=4 16470 B15R1.11472 CCC(O)COc1cc(c(cc1Br)C)C 7a_100009814663_100011218378 [0,2,0,0,0,0|2,0,0]=4 16471 B15R1.11472 CCC(O)COc1cc(c(cc1Br)Cl)C 34a_100022700756_100011218378 [0,2,0,0,0,0|1,0,0]=3 16472 B15R1.11472 CCC(O)COc1cc(c(cc1Br)Cl)C 7a_100022700756_100011218378 [0,2,0,0,0,0|1,0,0]=3 16473 B15R1.11472 CCC(O)COc1cc(c(cc1Br)F)F 34a_100009813768_100011218378 [0,2,0,0,0,0|1,1,0]=4 16474 B15R1.11472 CCC(O)COc1cc(c(cc1Br)F)F 7a_100009813768_100011218378 [0,2,0,0,0,0|1,1,0]=4 16475 B15R1.11472 CCC(O)COc1cc(c(cc1Br)N)Br 34a_100011080774_100011218378 [0,2,0,0,0,0|2,0,0]=4 16476 B15R1.11472 CCC(O)COc1cc(c(cc1Br)N)Br 7a_100011080774_100011218378 [0,2,0,0,0,0|2,0,0]=4 16477 B15R1.11472 CCC(O)COc1cc(c(cc1C)Br)C 34a_100000698207_100011218378 [0,2,0,0,0,0|1,1,0]=4 16478 B15R1.11472 CCC(O)COc1cc(c(cc1C)Br)C 7a_100000698207_100011218378 [0,2,0,0,0,0|1,1,0]=4 16479 B15R1.11472 CCC(O)COc1cc(c(cc1C)C)C 34a_200000047129_100011218378 [0,2,0,0,0,0|2,0,0]=4 16480 B15R1.11472 CCC(O)COc1cc(c(cc1C)C)C 7a_200000047129_100011218378 [0,2,0,0,0,0|2,0,0]=4 16481 B15R1.11472 CCC(O)COc1cc(c(cc1C)Cl)N 34a_100000092876_100011218378 [0,2,0,0,0,0|1,0,0]=3 16482 B15R1.11472 CCC(O)COc1cc(c(cc1C)Cl)N 7a_100000092876_100011218378 [0,2,0,0,0,0|1,0,0]=3 16483 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)Br 34a_100014242602_100011218378 [0,2,0,0,0,0|1,1,0]=4 16484 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)Br 7a_100014242602_100011218378 [0,2,0,0,0,0|1,1,0]=4 16485 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)C 34a_100010674473_100011218378 [0,2,0,0,0,0|1,1,0]=4 16486 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)C 7a_100010674473_100011218378 [0,2,0,0,0,0|1,1,0]=4 16487 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)F 34a_100000728840_100011218378 [0,2,0,0,0,0|1,1,0]=4 16488 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)F 7a_100000728840_100011218378 [0,2,0,0,0,0|1,1,0]=4 16489 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)I 34a_100010080512_100011218378 [0,2,0,0,0,0|1,1,0]=4 16490 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)I 7a_100010080512_100011218378 [0,2,0,0,0,0|1,1,0]=4 16491 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)N 34a_100000117193_100011218378 [0,2,0,0,0,0|1,1,0]=4 16492 B15R1.11472 CCC(O)COc1cc(c(cc1C)F)N 7a_100000117193_100011218378 [0,2,0,0,0,0|1,1,0]=4 16493 B15R1.11472 CCC(O)COc1cc(c(cc1C)I)C 34a_200011215153_100011218378 [0,2,0,0,0,0|1,1,0]=4 16494 B15R1.11472 CCC(O)COc1cc(c(cc1C)I)C 7a_200011215153_100011218378 [0,2,0,0,0,0|1,1,0]=4 16495 B15R1.11472 CCC(O)COc1cc(c(cc1C)N)C 34a_100000720036_100011218378 [0,2,0,0,0,0|2,0,0]=4 16496 B15R1.11472 CCC(O)COc1cc(c(cc1C)N)C 7a_100000720036_100011218378 [0,2,0,0,0,0|2,0,0]=4 16497 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)C 34a_200012350488_100011218378 [0,2,0,0,0,0|1,1,0]=4 16498 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)C 7a_200012350488_100011218378 [0,2,0,0,0,0|1,1,0]=4 16499 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100011218378 [0,2,0,0,0,0|1,1,0]=4 16500 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100011218378 [0,2,0,0,0,0|1,1,0]=4 16501 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)F 34a_100000726166_100011218378 [0,2,0,0,0,0|1,1,0]=4 16502 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)F 7a_100000726166_100011218378 [0,2,0,0,0,0|1,1,0]=4 16503 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)I 34a_100021297947_100011218378 [0,2,0,0,0,0|1,1,0]=4 16504 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Br)I 7a_100021297947_100011218378 [0,2,0,0,0,0|1,1,0]=4 16505 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)C)C 34a_100000031796_100011218378 [0,2,0,0,0,0|2,0,0]=4 16506 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)C)C 7a_100000031796_100011218378 [0,2,0,0,0,0|2,0,0]=4 16507 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)C)N 34a_100009961766_100011218378 [0,2,0,0,0,0|2,0,0]=4 16508 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)C)N 7a_100009961766_100011218378 [0,2,0,0,0,0|2,0,0]=4 16509 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100011218378 [0,2,0,0,0,0|1,0,0]=3 16510 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100011218378 [0,2,0,0,0,0|1,0,0]=3 16511 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)C 34a_100012002691_100011218378 [0,2,0,0,0,0|1,0,0]=3 16512 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)C 7a_100012002691_100011218378 [0,2,0,0,0,0|1,0,0]=3 16513 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100011218378 [0,2,0,0,0,0|1,0,0]=3 16514 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100011218378 [0,2,0,0,0,0|1,0,0]=3 16515 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)N 34a_100000037174_100011218378 [0,2,0,0,0,0|1,0,0]=3 16516 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)Cl)N 7a_100000037174_100011218378 [0,2,0,0,0,0|1,0,0]=3 16517 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)Br 34a_100010189047_100011218378 [0,2,0,0,0,0|1,1,0]=4 16518 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)Br 7a_100010189047_100011218378 [0,2,0,0,0,0|1,1,0]=4 16519 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)F 34a_100009848785_100011218378 [0,2,0,0,0,0|1,1,0]=4 16520 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)F 7a_100009848785_100011218378 [0,2,0,0,0,0|1,1,0]=4 16521 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)I 34a_100010735246_100011218378 [0,2,0,0,0,0|1,1,0]=4 16522 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)I 7a_100010735246_100011218378 [0,2,0,0,0,0|1,1,0]=4 16523 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)N 34a_100000042052_100011218378 [0,2,0,0,0,0|1,1,0]=4 16524 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)F)N 7a_100000042052_100011218378 [0,2,0,0,0,0|1,1,0]=4 16525 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)N)Cl 34a_100012000071_100011218378 [0,2,0,0,0,0|2,0,0]=4 16526 B15R1.11472 CCC(O)COc1cc(c(cc1Cl)N)Cl 7a_100012000071_100011218378 [0,2,0,0,0,0|2,0,0]=4 16527 B15R1.11472 CCC(O)COc1cc(c(cc1F)Br)C 34a_100012355673_100011218378 [0,2,0,0,0,0|1,1,0]=4 16528 B15R1.11472 CCC(O)COc1cc(c(cc1F)Br)C 7a_100012355673_100011218378 [0,2,0,0,0,0|1,1,0]=4 16529 B15R1.11472 CCC(O)COc1cc(c(cc1F)Br)F 34a_100011830439_100011218378 [0,2,0,0,0,0|1,1,0]=4 16530 B15R1.11472 CCC(O)COc1cc(c(cc1F)Br)F 7a_100011830439_100011218378 [0,2,0,0,0,0|1,1,0]=4 16531 B15R1.11472 CCC(O)COc1cc(c(cc1F)C)Br 34a_100010068922_100011218378 [0,2,0,0,0,0|2,0,0]=4 16532 B15R1.11472 CCC(O)COc1cc(c(cc1F)C)Br 7a_100010068922_100011218378 [0,2,0,0,0,0|2,0,0]=4 16533 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)Br 34a_100012457948_100011218378 [0,2,0,0,0,0|1,1,0]=4 16534 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)Br 7a_100012457948_100011218378 [0,2,0,0,0,0|1,1,0]=4 16535 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)F 34a_100000237555_100011218378 [0,2,0,0,0,0|1,1,0]=4 16536 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)F 7a_100000237555_100011218378 [0,2,0,0,0,0|1,1,0]=4 16537 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)I 34a_100015789030_100011218378 [0,2,0,0,0,0|1,1,0]=4 16538 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)I 7a_100015789030_100011218378 [0,2,0,0,0,0|1,1,0]=4 16539 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)N 34a_100011219470_100011218378 [0,2,0,0,0,0|1,1,0]=4 16540 B15R1.11472 CCC(O)COc1cc(c(cc1F)F)N 7a_100011219470_100011218378 [0,2,0,0,0,0|1,1,0]=4 16541 B15R1.11472 CCC(O)COc1cc(c(cc1F)N)Cl 34a_100009886023_100011218378 [0,2,0,0,0,0|2,0,0]=4 16542 B15R1.11472 CCC(O)COc1cc(c(cc1F)N)Cl 7a_100009886023_100011218378 [0,2,0,0,0,0|2,0,0]=4 16543 B15R1.11472 CCC(O)COc1cc(c(cc1F)N)F 34a_100020635945_100011218378 [0,2,0,0,0,0|2,0,0]=4 16544 B15R1.11472 CCC(O)COc1cc(c(cc1F)N)F 7a_100020635945_100011218378 [0,2,0,0,0,0|2,0,0]=4 16545 B15R1.11472 CCC(O)COc1cc(c(cc1I)F)F 34a_100010749349_100011218378 [0,2,0,0,0,0|1,1,0]=4 16546 B15R1.11472 CCC(O)COc1cc(c(cc1I)F)F 7a_100010749349_100011218378 [0,2,0,0,0,0|1,1,0]=4 16547 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)Br 34a_200010781931_100011218378 [0,2,0,0,0,0|1,1,0]=4 16548 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)Br 7a_200010781931_100011218378 [0,2,0,0,0,0|1,1,0]=4 16549 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)C 34a_200010235796_100011218378 [0,2,0,0,0,0|1,1,0]=4 16550 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)C 7a_200010235796_100011218378 [0,2,0,0,0,0|1,1,0]=4 16551 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)Cl 34a_100013488937_100011218378 [0,2,0,0,0,0|1,1,0]=4 16552 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)Cl 7a_100013488937_100011218378 [0,2,0,0,0,0|1,1,0]=4 16553 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)F 34a_100012359894_100011218378 [0,2,0,0,0,0|1,1,0]=4 16554 B15R1.11472 CCC(O)COc1cc(c(cc1N)Br)F 7a_100012359894_100011218378 [0,2,0,0,0,0|1,1,0]=4 16555 B15R1.11472 CCC(O)COc1cc(c(cc1N)C)Br 34a_200010107346_100011218378 [0,2,0,0,0,0|2,0,0]=4 16556 B15R1.11472 CCC(O)COc1cc(c(cc1N)C)Br 7a_200010107346_100011218378 [0,2,0,0,0,0|2,0,0]=4 16557 B15R1.11472 CCC(O)COc1cc(c(cc1N)C)C 34a_100133014134_100011218378 [0,2,0,0,0,0|2,0,0]=4 16558 B15R1.11472 CCC(O)COc1cc(c(cc1N)C)C 7a_100133014134_100011218378 [0,2,0,0,0,0|2,0,0]=4 16559 B15R1.11472 CCC(O)COc1cc(c(cc1N)C)F 34a_100012022779_100011218378 [0,2,0,0,0,0|2,0,0]=4 16560 B15R1.11472 CCC(O)COc1cc(c(cc1N)C)F 7a_100012022779_100011218378 [0,2,0,0,0,0|2,0,0]=4 16561 B15R1.11472 CCC(O)COc1cc(c(cc1N)Cl)C 34a_100000091707_100011218378 [0,2,0,0,0,0|1,0,0]=3 16562 B15R1.11472 CCC(O)COc1cc(c(cc1N)Cl)C 7a_100000091707_100011218378 [0,2,0,0,0,0|1,0,0]=3 16563 B15R1.11472 CCC(O)COc1cc(c(cc1N)Cl)Cl 34a_100000696747_100011218378 [0,2,0,0,0,0|1,0,0]=3 16564 B15R1.11472 CCC(O)COc1cc(c(cc1N)Cl)Cl 7a_100000696747_100011218378 [0,2,0,0,0,0|1,0,0]=3 16565 B15R1.11472 CCC(O)COc1cc(c(cc1N)F)Br 34a_100013038943_100011218378 [0,2,0,0,0,0|1,1,0]=4 16566 B15R1.11472 CCC(O)COc1cc(c(cc1N)F)Br 7a_100013038943_100011218378 [0,2,0,0,0,0|1,1,0]=4 16567 B15R1.11472 CCC(O)COc1cc(c(cc1N)F)F 34a_100011217416_100011218378 [0,2,0,0,0,0|1,1,0]=4 16568 B15R1.11472 CCC(O)COc1cc(c(cc1N)F)F 7a_100011217416_100011218378 [0,2,0,0,0,0|1,1,0]=4 16569 B15R1.11472 CCC(O)COc1cc(c(cc1N)I)Cl 34a_100011011175_100011218378 [0,2,0,0,0,0|1,1,0]=4 16570 B15R1.11472 CCC(O)COc1cc(c(cc1N)I)Cl 7a_100011011175_100011218378 [0,2,0,0,0,0|1,1,0]=4 16571 B15R1.11472 CCC(O)COc1cc(c(nc1N)Cl)Br 34a_100010136811_100011218378 [0,2,0,0,0,0|2,0,0]=4 16572 B15R1.11472 CCC(O)COc1cc(c(nc1N)Cl)Br 7a_100010136811_100011218378 [0,2,0,0,0,0|2,0,0]=4 16573 B15R1.11472 CCC(O)COc1nc(c(cc1Br)Cl)C 34a_200010749519_100011218378 [0,2,0,0,0,0|2,0,0]=4 16574 B15R1.11472 CCC(O)COc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100011218378 [0,2,0,0,0,0|2,0,0]=4 16575 B15R1.11472 CCC(O)CSc1cc(c(cc1Br)Cl)F 62a_100010254745_100011218378 [0,2,0,0,0,0|1,1,0]=4 16576 B15R1.11472 CCC(O)CSc1cc(c(cc1Br)Cl)F 62a_100011218378_100010254745 [0,2,0,0,0,0|1,1,0]=4 16577 B15R1.11472 CCC(O)CSc1cc(c(cc1Br)Cl)O 62a_100011218378_100021297947 [0,2,0,0,0,0|1,1,0]=4 16578 B15R1.11472 CCC(O)CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100011218378 [0,2,0,0,0,0|1,1,0]=4 16579 B15R1.11472 CCC(O)CSc1cc(c(cc1C)Cl)C 62a_100011218378_100012357408 [0,2,0,0,0,0|1,1,0]=4 16580 B15R1.11472 CCC(O)CSc1cc(c(cc1C)Cl)C 62a_100012357408_100011218378 [0,2,0,0,0,0|1,1,0]=4 16581 B15R1.11472 CCC(O)CSc1cc(c(cc1Cl)Cl)Cl 62a_100011218378_200011216203 [0,2,0,0,0,0|1,1,0]=4 16582 B15R1.11472 CCC(O)CSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100011218378 [0,2,0,0,0,0|1,1,0]=4 16583 B15R1.11472 CCC(O)CSc1cc(c(cc1Cl)Cl)N 62a_100011218378_100016224655 [0,2,0,0,0,0|1,1,0]=4 16584 B15R1.11472 CCC(O)CSc1cc(c(cc1Cl)Cl)N 62a_100016224655_100011218378 [0,2,0,0,0,0|1,1,0]=4 16585 B15R1.11472 CCC(O)CSc1cc(c(cc1F)Cl)F 62a_100010142863_100011218378 [0,2,0,0,0,0|1,1,0]=4 16586 B15R1.11472 CCC(O)CSc1cc(c(cc1F)Cl)F 62a_100011218378_100010142863 [0,2,0,0,0,0|1,1,0]=4 16587 B15R1.11472 CCC(O)CSc1cc(c(cc1F)Cl)O 62a_100010735246_100011218378 [0,2,0,0,0,0|1,1,0]=4 16588 B15R1.11472 CCC(O)CSc1cc(c(cc1F)Cl)O 62a_100011218378_100010735246 [0,2,0,0,0,0|1,1,0]=4 16589 B15R1.11472 CCC(O)CSc1cc(c(cc1N)Cl)Cl 62a_100011218378_200011093942 [0,2,0,0,0,0|1,1,0]=4 16590 B15R1.11472 CCC(O)CSc1cc(c(cc1N)Cl)Cl 62a_200011093942_100011218378 [0,2,0,0,0,0|1,1,0]=4 16591 B15R1.11472 CCC(O)CSc1cc(c(cc1N)Cl)F 62a_100011218378_200010992381 [0,2,0,0,0,0|1,1,0]=4 16592 B15R1.11472 CCC(O)CSc1cc(c(cc1N)Cl)F 62a_200010992381_100011218378 [0,2,0,0,0,0|1,1,0]=4 16593 B15R1.11472 CC[C@H](C)COc1cc(c(cc1Br)Cl)C 34a_100022700756_100009816398 [0,2,0,0,0,0|2,0,0]=4 16594 B15R1.11472 CC[C@H](C)COc1cc(c(cc1Br)Cl)C 7a_100022700756_100009816398 [0,2,0,0,0,0|2,0,0]=4 16595 B15R1.11472 CC[C@H](C)COc1cc(c(cc1C)Cl)N 34a_100000092876_100009816398 [0,2,0,0,0,0|2,0,0]=4 16596 B15R1.11472 CC[C@H](C)COc1cc(c(cc1C)Cl)N 7a_100000092876_100009816398 [0,2,0,0,0,0|2,0,0]=4 16597 B15R1.11472 CC[C@H](C)COc1cc(c(cc1Cl)Cl)C 34a_100012002691_100009816398 [0,2,0,0,0,0|2,0,0]=4 16598 B15R1.11472 CC[C@H](C)COc1cc(c(cc1Cl)Cl)C 7a_100012002691_100009816398 [0,2,0,0,0,0|2,0,0]=4 16599 B15R1.11472 CC[C@H](C)COc1cc(c(cc1Cl)Cl)N 34a_100000037174_100009816398 [0,2,0,0,0,0|2,0,0]=4 16600 B15R1.11472 CC[C@H](C)COc1cc(c(cc1Cl)Cl)N 7a_100000037174_100009816398 [0,2,0,0,0,0|2,0,0]=4 16601 B15R1.11472 CC[C@H](C)COc1cc(c(cc1N)Cl)C 34a_100000091707_100009816398 [0,2,0,0,0,0|2,0,0]=4 16602 B15R1.11472 CC[C@H](C)COc1cc(c(cc1N)Cl)C 7a_100000091707_100009816398 [0,2,0,0,0,0|2,0,0]=4 16603 B15R1.11472 CC[C@H](C)COc1cc(c(cc1N)Cl)Cl 34a_100000696747_100009816398 [0,2,0,0,0,0|2,0,0]=4 16604 B15R1.11472 CC[C@H](C)COc1cc(c(cc1N)Cl)Cl 7a_100000696747_100009816398 [0,2,0,0,0,0|2,0,0]=4 16605 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Br)Cl)F 34a_100010254744_100000059175 [0,2,0,0,0,0|2,0,0]=4 16606 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Br)Cl)F 7a_100010254744_100000059175 [0,2,0,0,0,0|2,0,0]=4 16607 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100000059175 [0,2,0,0,0,0|2,0,0]=4 16608 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100000059175 [0,2,0,0,0,0|2,0,0]=4 16609 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100000059175 [0,2,0,0,0,0|2,0,0]=4 16610 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100000059175 [0,2,0,0,0,0|2,0,0]=4 16611 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100000059175 [0,2,0,0,0,0|2,0,0]=4 16612 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100000059175 [0,2,0,0,0,0|2,0,0]=4 16613 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100000059175 [0,2,0,0,0,0|2,0,0]=4 16614 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100000059175 [0,2,0,0,0,0|2,0,0]=4 16615 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100000059175 [0,2,0,0,0,0|2,0,0]=4 16616 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)Br 34a_100013023876_100000059175 [0,2,0,0,0,0|2,0,0]=4 16617 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)Br 7a_100013023876_100000059175 [0,2,0,0,0,0|2,0,0]=4 16618 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100000059175 [0,2,0,0,0,0|2,0,0]=4 16619 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100000059175 [0,2,0,0,0,0|2,0,0]=4 16620 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)F 34a_100011998097_100000059175 [0,2,0,0,0,0|2,0,0]=4 16621 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)F 7a_100011998097_100000059175 [0,2,0,0,0,0|2,0,0]=4 16622 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)O 34a_100000042052_100000059175 [0,2,0,0,0,0|2,0,0]=4 16623 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1F)Cl)O 7a_100000042052_100000059175 [0,2,0,0,0,0|2,0,0]=4 16624 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100000059175 [0,2,0,0,0,0|2,0,0]=4 16625 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1I)Cl)F 34a_100010892166_100000059175 [0,2,0,0,0,0|2,0,0]=4 16626 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1I)Cl)F 7a_100010892166_100000059175 [0,2,0,0,0,0|2,0,0]=4 16627 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1O)Cl)Br 34a_100013488937_100000059175 [0,2,0,0,0,0|2,0,0]=4 16628 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1O)Cl)Br 7a_100013488937_100000059175 [0,2,0,0,0,0|2,0,0]=4 16629 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100000059175 [0,2,0,0,0,0|2,0,0]=4 16630 B15R1.11472 C[C@@H](CO)CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100000059175 [0,2,0,0,0,0|2,0,0]=4 16631 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Br)F)F 34a_100009813768_100000059175 [0,2,0,0,0,0|1,1,0]=4 16632 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Br)F)F 7a_100009813768_100000059175 [0,2,0,0,0,0|1,1,0]=4 16633 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Br)N)Br 34a_100011080774_100000059175 [0,2,0,0,0,0|2,0,0]=4 16634 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Br)N)Br 7a_100011080774_100000059175 [0,2,0,0,0,0|2,0,0]=4 16635 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100000059175 [0,2,0,0,0,0|1,1,0]=4 16636 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100000059175 [0,2,0,0,0,0|1,1,0]=4 16637 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Br)F 34a_100000726166_100000059175 [0,2,0,0,0,0|1,1,0]=4 16638 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Br)F 7a_100000726166_100000059175 [0,2,0,0,0,0|1,1,0]=4 16639 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Br)I 34a_100021297947_100000059175 [0,2,0,0,0,0|1,1,0]=4 16640 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Br)I 7a_100021297947_100000059175 [0,2,0,0,0,0|1,1,0]=4 16641 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000059175 [0,2,0,0,0,0|1,0,0]=3 16642 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000059175 [0,2,0,0,0,0|1,0,0]=3 16643 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000059175 [0,2,0,0,0,0|1,0,0]=3 16644 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000059175 [0,2,0,0,0,0|1,0,0]=3 16645 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000059175 [0,2,0,0,0,0|1,0,0]=3 16646 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000059175 [0,2,0,0,0,0|1,0,0]=3 16647 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)Br 34a_100010189047_100000059175 [0,2,0,0,0,0|1,1,0]=4 16648 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)Br 7a_100010189047_100000059175 [0,2,0,0,0,0|1,1,0]=4 16649 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)F 34a_100009848785_100000059175 [0,2,0,0,0,0|1,1,0]=4 16650 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)F 7a_100009848785_100000059175 [0,2,0,0,0,0|1,1,0]=4 16651 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)I 34a_100010735246_100000059175 [0,2,0,0,0,0|1,1,0]=4 16652 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)I 7a_100010735246_100000059175 [0,2,0,0,0,0|1,1,0]=4 16653 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)N 34a_100000042052_100000059175 [0,2,0,0,0,0|1,1,0]=4 16654 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)F)N 7a_100000042052_100000059175 [0,2,0,0,0,0|1,1,0]=4 16655 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)N)Cl 34a_100012000071_100000059175 [0,2,0,0,0,0|2,0,0]=4 16656 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1Cl)N)Cl 7a_100012000071_100000059175 [0,2,0,0,0,0|2,0,0]=4 16657 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)Br)F 34a_100011830439_100000059175 [0,2,0,0,0,0|1,1,0]=4 16658 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)Br)F 7a_100011830439_100000059175 [0,2,0,0,0,0|1,1,0]=4 16659 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)Br 34a_100012457948_100000059175 [0,2,0,0,0,0|1,1,0]=4 16660 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)Br 7a_100012457948_100000059175 [0,2,0,0,0,0|1,1,0]=4 16661 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)F 34a_100000237555_100000059175 [0,2,0,0,0,0|1,1,0]=4 16662 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)F 7a_100000237555_100000059175 [0,2,0,0,0,0|1,1,0]=4 16663 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)I 34a_100015789030_100000059175 [0,2,0,0,0,0|1,1,0]=4 16664 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)I 7a_100015789030_100000059175 [0,2,0,0,0,0|1,1,0]=4 16665 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)N 34a_100011219470_100000059175 [0,2,0,0,0,0|1,1,0]=4 16666 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)F)N 7a_100011219470_100000059175 [0,2,0,0,0,0|1,1,0]=4 16667 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)N)Cl 34a_100009886023_100000059175 [0,2,0,0,0,0|2,0,0]=4 16668 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)N)Cl 7a_100009886023_100000059175 [0,2,0,0,0,0|2,0,0]=4 16669 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)N)F 34a_100020635945_100000059175 [0,2,0,0,0,0|2,0,0]=4 16670 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1F)N)F 7a_100020635945_100000059175 [0,2,0,0,0,0|2,0,0]=4 16671 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1I)F)F 34a_100010749349_100000059175 [0,2,0,0,0,0|1,1,0]=4 16672 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1I)F)F 7a_100010749349_100000059175 [0,2,0,0,0,0|1,1,0]=4 16673 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Br)Br 34a_200010781931_100000059175 [0,2,0,0,0,0|1,1,0]=4 16674 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Br)Br 7a_200010781931_100000059175 [0,2,0,0,0,0|1,1,0]=4 16675 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Br)Cl 34a_100013488937_100000059175 [0,2,0,0,0,0|1,1,0]=4 16676 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Br)Cl 7a_100013488937_100000059175 [0,2,0,0,0,0|1,1,0]=4 16677 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Br)F 34a_100012359894_100000059175 [0,2,0,0,0,0|1,1,0]=4 16678 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Br)F 7a_100012359894_100000059175 [0,2,0,0,0,0|1,1,0]=4 16679 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Cl)Cl 34a_100000696747_100000059175 [0,2,0,0,0,0|1,0,0]=3 16680 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)Cl)Cl 7a_100000696747_100000059175 [0,2,0,0,0,0|1,0,0]=3 16681 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)F)Br 34a_100013038943_100000059175 [0,2,0,0,0,0|1,1,0]=4 16682 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)F)Br 7a_100013038943_100000059175 [0,2,0,0,0,0|1,1,0]=4 16683 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)F)F 34a_100011217416_100000059175 [0,2,0,0,0,0|1,1,0]=4 16684 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)F)F 7a_100011217416_100000059175 [0,2,0,0,0,0|1,1,0]=4 16685 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)I)Cl 34a_100011011175_100000059175 [0,2,0,0,0,0|1,1,0]=4 16686 B15R1.11472 C[C@@H](CO)COc1cc(c(cc1N)I)Cl 7a_100011011175_100000059175 [0,2,0,0,0,0|1,1,0]=4 16687 B15R1.11472 C[C@@H](CO)COc1cc(c(nc1N)Cl)Br 34a_100010136811_100000059175 [0,2,0,0,0,0|2,0,0]=4 16688 B15R1.11472 C[C@@H](CO)COc1cc(c(nc1N)Cl)Br 7a_100010136811_100000059175 [0,2,0,0,0,0|2,0,0]=4 16689 B15R1.11472 C[C@@H](CO)COc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100000059175 [0,2,0,0,0,0|2,0,0]=4 16690 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Br)Cl)F 62a_100000059175_100010254745 [0,2,0,0,0,0|1,1,0]=4 16691 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Br)Cl)F 62a_100010254745_100000059175 [0,2,0,0,0,0|1,1,0]=4 16692 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Br)Cl)O 62a_100000059175_100021297947 [0,2,0,0,0,0|1,1,0]=4 16693 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100000059175 [0,2,0,0,0,0|1,1,0]=4 16694 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Cl)Cl)Cl 62a_100000059175_200011216203 [0,2,0,0,0,0|1,1,0]=4 16695 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100000059175 [0,2,0,0,0,0|1,1,0]=4 16696 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Cl)Cl)N 62a_100000059175_100016224655 [0,2,0,0,0,0|1,1,0]=4 16697 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1Cl)Cl)N 62a_100016224655_100000059175 [0,2,0,0,0,0|1,1,0]=4 16698 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1F)Cl)F 62a_100000059175_100010142863 [0,2,0,0,0,0|1,1,0]=4 16699 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1F)Cl)F 62a_100010142863_100000059175 [0,2,0,0,0,0|1,1,0]=4 16700 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1F)Cl)O 62a_100000059175_100010735246 [0,2,0,0,0,0|1,1,0]=4 16701 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1F)Cl)O 62a_100010735246_100000059175 [0,2,0,0,0,0|1,1,0]=4 16702 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1N)Cl)Cl 62a_100000059175_200011093942 [0,2,0,0,0,0|1,1,0]=4 16703 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1N)Cl)Cl 62a_200011093942_100000059175 [0,2,0,0,0,0|1,1,0]=4 16704 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1N)Cl)F 62a_100000059175_200010992381 [0,2,0,0,0,0|1,1,0]=4 16705 B15R1.11472 C[C@@H](CO)CSc1cc(c(cc1N)Cl)F 62a_200010992381_100000059175 [0,2,0,0,0,0|1,1,0]=4 16706 B15R1.11472 Cc1cc(c(cc1Br)Br)NCC(O)CO 34a_100009995518_100011219619 [0,2,0,0,0,0|1,1,0]=4 16707 B15R1.11472 Cc1cc(c(cc1Br)Br)NCC(O)CO 7a_100009995518_100011219619 [0,2,0,0,0,0|1,1,0]=4 16708 B15R1.11472 Cc1cc(c(cc1Br)Br)NC[C@@H](O)CO 34a_100009995518_100009815848 [0,2,0,0,0,0|1,1,0]=4 16709 B15R1.11472 Cc1cc(c(cc1Br)Br)NC[C@@H](O)CO 7a_100009995518_100009815848 [0,2,0,0,0,0|1,1,0]=4 16710 B15R1.11472 Cc1cc(c(cc1Br)C)NCC(O)CO 2230a_100011934712_100011219619 [0,2,0,0,0,0|1,1,0]=4 16711 B15R1.11472 Cc1cc(c(cc1Br)C)NCC(O)CO 34a_100011934712_100011219619 [0,2,0,0,0,0|1,1,0]=4 16712 B15R1.11472 Cc1cc(c(cc1Br)C)NCC(O)CO 7a_100011934712_100011219619 [0,2,0,0,0,0|1,1,0]=4 16713 B15R1.11472 Cc1cc(c(cc1Br)C)NC[C@@H](O)CO 2230a_100011934712_100009815848 [0,2,0,0,0,0|1,1,0]=4 16714 B15R1.11472 Cc1cc(c(cc1Br)C)NC[C@@H](O)CO 34a_100011934712_100009815848 [0,2,0,0,0,0|1,1,0]=4 16715 B15R1.11472 Cc1cc(c(cc1Br)C)NC[C@@H](O)CO 7a_100011934712_100009815848 [0,2,0,0,0,0|1,1,0]=4 16716 B15R1.11472 Cc1cc(c(cc1Br)C)OCC(O)CO 34a_100000698207_100011219619 [0,2,0,0,0,0|0,1,0]=3 16717 B15R1.11472 Cc1cc(c(cc1Br)C)OCC(O)CO 7a_100000698207_100011219619 [0,2,0,0,0,0|0,1,0]=3 16718 B15R1.11472 Cc1cc(c(cc1Br)C)OC[C@@H](C)CO 34a_100000698207_100000059175 [0,2,0,0,0,0|1,1,0]=4 16719 B15R1.11472 Cc1cc(c(cc1Br)C)OC[C@@H](C)CO 7a_100000698207_100000059175 [0,2,0,0,0,0|1,1,0]=4 16720 B15R1.11472 Cc1cc(c(cc1Br)C)OC[C@@H](O)CF 34a_100000698207_100015614560 [0,2,0,0,0,0|1,1,0]=4 16721 B15R1.11472 Cc1cc(c(cc1Br)C)OC[C@@H](O)CF 7a_100000698207_100015614560 [0,2,0,0,0,0|1,1,0]=4 16722 B15R1.11472 Cc1cc(c(cc1Br)C)OC[C@@H](O)CO 34a_100000698207_100009815848 [0,2,0,0,0,0|0,1,0]=3 16723 B15R1.11472 Cc1cc(c(cc1Br)C)OC[C@@H](O)CO 7a_100000698207_100009815848 [0,2,0,0,0,0|0,1,0]=3 16724 B15R1.11472 Cc1cc(c(cc1Br)C)SCC(O)CO 62a_100011219619_100011356911 [0,2,0,0,0,0|0,2,0]=4 16725 B15R1.11472 Cc1cc(c(cc1Br)C)SCC(O)CO 62a_100011356911_100011219619 [0,2,0,0,0,0|0,2,0]=4 16726 B15R1.11472 Cc1cc(c(cc1Br)C)SC[C@@H](O)CO 62a_100009815848_100011356911 [0,2,0,0,0,0|0,2,0]=4 16727 B15R1.11472 Cc1cc(c(cc1Br)C)SC[C@@H](O)CO 62a_100011356911_100009815848 [0,2,0,0,0,0|0,2,0]=4 16728 B15R1.11472 Cc1cc(c(cc1Br)Cl)OCC(O)CO 34a_200012350488_100011219619 [0,2,0,0,0,0|0,1,0]=3 16729 B15R1.11472 Cc1cc(c(cc1Br)Cl)OCC(O)CO 7a_200012350488_100011219619 [0,2,0,0,0,0|0,1,0]=3 16730 B15R1.11472 Cc1cc(c(cc1Br)Cl)OC[C@@H](C)CO 34a_200012350488_100000059175 [0,2,0,0,0,0|1,1,0]=4 16731 B15R1.11472 Cc1cc(c(cc1Br)Cl)OC[C@@H](C)CO 7a_200012350488_100000059175 [0,2,0,0,0,0|1,1,0]=4 16732 B15R1.11472 Cc1cc(c(cc1Br)Cl)OC[C@@H](O)CF 34a_200012350488_100015614560 [0,2,0,0,0,0|1,1,0]=4 16733 B15R1.11472 Cc1cc(c(cc1Br)Cl)OC[C@@H](O)CF 7a_200012350488_100015614560 [0,2,0,0,0,0|1,1,0]=4 16734 B15R1.11472 Cc1cc(c(cc1Br)Cl)OC[C@@H](O)CO 34a_200012350488_100009815848 [0,2,0,0,0,0|0,1,0]=3 16735 B15R1.11472 Cc1cc(c(cc1Br)Cl)OC[C@@H](O)CO 7a_200012350488_100009815848 [0,2,0,0,0,0|0,1,0]=3 16736 B15R1.11472 Cc1cc(c(cc1Br)Cl)SCC(O)CO 62a_100010259621_100011219619 [0,2,0,0,0,0|0,2,0]=4 16737 B15R1.11472 Cc1cc(c(cc1Br)Cl)SCC(O)CO 62a_100011219619_100010259621 [0,2,0,0,0,0|0,2,0]=4 16738 B15R1.11472 Cc1cc(c(cc1Br)Cl)SC[C@@H](O)CO 62a_100009815848_100010259621 [0,2,0,0,0,0|0,2,0]=4 16739 B15R1.11472 Cc1cc(c(cc1Br)Cl)SC[C@@H](O)CO 62a_100010259621_100009815848 [0,2,0,0,0,0|0,2,0]=4 16740 B15R1.11472 Cc1cc(c(cc1Br)F)NCC(O)CO 2230a_100000691575_100011219619 [0,2,0,0,0,0|1,1,0]=4 16741 B15R1.11472 Cc1cc(c(cc1Br)F)NCC(O)CO 34a_100000691575_100011219619 [0,2,0,0,0,0|1,1,0]=4 16742 B15R1.11472 Cc1cc(c(cc1Br)F)NCC(O)CO 7a_100000691575_100011219619 [0,2,0,0,0,0|1,1,0]=4 16743 B15R1.11472 Cc1cc(c(cc1Br)F)NC[C@@H](O)CO 2230a_100000691575_100009815848 [0,2,0,0,0,0|1,1,0]=4 16744 B15R1.11472 Cc1cc(c(cc1Br)F)NC[C@@H](O)CO 34a_100000691575_100009815848 [0,2,0,0,0,0|1,1,0]=4 16745 B15R1.11472 Cc1cc(c(cc1Br)F)NC[C@@H](O)CO 7a_100000691575_100009815848 [0,2,0,0,0,0|1,1,0]=4 16746 B15R1.11472 Cc1cc(c(cc1Br)F)OCC(O)CO 34a_100012355673_100011219619 [0,2,0,0,0,0|0,1,0]=3 16747 B15R1.11472 Cc1cc(c(cc1Br)F)OCC(O)CO 7a_100012355673_100011219619 [0,2,0,0,0,0|0,1,0]=3 16748 B15R1.11472 Cc1cc(c(cc1Br)F)OC[C@@H](C)CO 34a_100012355673_100000059175 [0,2,0,0,0,0|1,1,0]=4 16749 B15R1.11472 Cc1cc(c(cc1Br)F)OC[C@@H](C)CO 7a_100012355673_100000059175 [0,2,0,0,0,0|1,1,0]=4 16750 B15R1.11472 Cc1cc(c(cc1Br)F)OC[C@@H](O)CF 34a_100012355673_100015614560 [0,2,0,0,0,0|1,1,0]=4 16751 B15R1.11472 Cc1cc(c(cc1Br)F)OC[C@@H](O)CF 7a_100012355673_100015614560 [0,2,0,0,0,0|1,1,0]=4 16752 B15R1.11472 Cc1cc(c(cc1Br)F)OC[C@@H](O)CO 34a_100012355673_100009815848 [0,2,0,0,0,0|0,1,0]=3 16753 B15R1.11472 Cc1cc(c(cc1Br)F)OC[C@@H](O)CO 7a_100012355673_100009815848 [0,2,0,0,0,0|0,1,0]=3 16754 B15R1.11472 Cc1cc(c(cc1Br)F)SCC(O)CO 62a_100011219619_200009814772 [0,2,0,0,0,0|0,2,0]=4 16755 B15R1.11472 Cc1cc(c(cc1Br)F)SCC(O)CO 62a_200009814772_100011219619 [0,2,0,0,0,0|0,2,0]=4 16756 B15R1.11472 Cc1cc(c(cc1Br)F)SC[C@@H](O)CO 62a_100009815848_200009814772 [0,2,0,0,0,0|0,2,0]=4 16757 B15R1.11472 Cc1cc(c(cc1Br)F)SC[C@@H](O)CO 62a_200009814772_100009815848 [0,2,0,0,0,0|0,2,0]=4 16758 B15R1.11472 Cc1cc(c(cc1Br)N)OCC(O)CO 34a_200010235796_100011219619 [0,2,0,0,0,0|0,1,0]=3 16759 B15R1.11472 Cc1cc(c(cc1Br)N)OCC(O)CO 7a_200010235796_100011219619 [0,2,0,0,0,0|0,1,0]=3 16760 B15R1.11472 Cc1cc(c(cc1Br)N)OC[C@@H](C)CO 34a_200010235796_100000059175 [0,2,0,0,0,0|1,1,0]=4 16761 B15R1.11472 Cc1cc(c(cc1Br)N)OC[C@@H](C)CO 7a_200010235796_100000059175 [0,2,0,0,0,0|1,1,0]=4 16762 B15R1.11472 Cc1cc(c(cc1Br)N)OC[C@@H](O)CF 34a_200010235796_100015614560 [0,2,0,0,0,0|1,1,0]=4 16763 B15R1.11472 Cc1cc(c(cc1Br)N)OC[C@@H](O)CF 7a_200010235796_100015614560 [0,2,0,0,0,0|1,1,0]=4 16764 B15R1.11472 Cc1cc(c(cc1Br)N)OC[C@@H](O)CO 34a_200010235796_100009815848 [0,2,0,0,0,0|0,1,0]=3 16765 B15R1.11472 Cc1cc(c(cc1Br)N)OC[C@@H](O)CO 7a_200010235796_100009815848 [0,2,0,0,0,0|0,1,0]=3 16766 B15R1.11472 Cc1cc(c(cc1Br)N)SCC(O)CO 62a_100011219619_200015600912 [0,2,0,0,0,0|0,2,0]=4 16767 B15R1.11472 Cc1cc(c(cc1Br)N)SCC(O)CO 62a_200015600912_100011219619 [0,2,0,0,0,0|0,2,0]=4 16768 B15R1.11472 Cc1cc(c(cc1Br)N)SC[C@@H](O)CO 62a_100009815848_200015600912 [0,2,0,0,0,0|0,2,0]=4 16769 B15R1.11472 Cc1cc(c(cc1Br)N)SC[C@@H](O)CO 62a_200015600912_100009815848 [0,2,0,0,0,0|0,2,0]=4 16770 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)Br 34a_100012348304_100011219619 [0,2,0,0,0,0|2,0,0]=4 16771 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)Br 7a_100012348304_100011219619 [0,2,0,0,0,0|2,0,0]=4 16772 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)C 2230a_100000703630_100011219619 [0,2,0,0,0,0|2,0,0]=4 16773 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)C 34a_100000703630_100011219619 [0,2,0,0,0,0|2,0,0]=4 16774 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)C 7a_100000703630_100011219619 [0,2,0,0,0,0|2,0,0]=4 16775 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)F 2230a_100010239588_100011219619 [0,2,0,0,0,0|2,0,0]=4 16776 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)F 34a_100010239588_100011219619 [0,2,0,0,0,0|2,0,0]=4 16777 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)F 7a_100010239588_100011219619 [0,2,0,0,0,0|2,0,0]=4 16778 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)I 34a_200015600912_100011219619 [0,2,0,0,0,0|2,0,0]=4 16779 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)I 7a_200015600912_100011219619 [0,2,0,0,0,0|2,0,0]=4 16780 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)O 34a_200010235796_100011219619 [0,2,0,0,0,0|2,0,0]=4 16781 B15R1.11472 Cc1cc(c(cc1Br)NCC(O)CO)O 7a_200010235796_100011219619 [0,2,0,0,0,0|2,0,0]=4 16782 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)Br 34a_100012348304_100009815848 [0,2,0,0,0,0|2,0,0]=4 16783 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)Br 7a_100012348304_100009815848 [0,2,0,0,0,0|2,0,0]=4 16784 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)C 2230a_100000703630_100009815848 [0,2,0,0,0,0|2,0,0]=4 16785 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)C 34a_100000703630_100009815848 [0,2,0,0,0,0|2,0,0]=4 16786 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)C 7a_100000703630_100009815848 [0,2,0,0,0,0|2,0,0]=4 16787 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)F 2230a_100010239588_100009815848 [0,2,0,0,0,0|2,0,0]=4 16788 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)F 34a_100010239588_100009815848 [0,2,0,0,0,0|2,0,0]=4 16789 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)F 7a_100010239588_100009815848 [0,2,0,0,0,0|2,0,0]=4 16790 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)I 34a_200015600912_100009815848 [0,2,0,0,0,0|2,0,0]=4 16791 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)I 7a_200015600912_100009815848 [0,2,0,0,0,0|2,0,0]=4 16792 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)O 34a_200010235796_100009815848 [0,2,0,0,0,0|2,0,0]=4 16793 B15R1.11472 Cc1cc(c(cc1Br)NC[C@@H](O)CO)O 7a_200010235796_100009815848 [0,2,0,0,0,0|2,0,0]=4 16794 B15R1.11472 Cc1cc(c(cc1Br)O)NCC(O)CO 34a_200010107346_100011219619 [0,2,0,0,0,0|1,1,0]=4 16795 B15R1.11472 Cc1cc(c(cc1Br)O)NC[C@@H](O)CO 34a_200010107346_100009815848 [0,2,0,0,0,0|1,1,0]=4 16796 B15R1.11472 Cc1cc(c(cc1Br)OCC(O)CO)F 34a_100010068922_100011219619 [0,2,0,0,0,0|1,0,0]=3 16797 B15R1.11472 Cc1cc(c(cc1Br)OCC(O)CO)F 7a_100010068922_100011219619 [0,2,0,0,0,0|1,0,0]=3 16798 B15R1.11472 Cc1cc(c(cc1Br)OCC(O)CO)N 34a_200010107346_100011219619 [0,2,0,0,0,0|1,0,0]=3 16799 B15R1.11472 Cc1cc(c(cc1Br)OCC(O)CO)N 7a_200010107346_100011219619 [0,2,0,0,0,0|1,0,0]=3 16800 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](C)CO)F 34a_100010068922_100000059175 [0,2,0,0,0,0|2,0,0]=4 16801 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](C)CO)F 7a_100010068922_100000059175 [0,2,0,0,0,0|2,0,0]=4 16802 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](C)CO)N 34a_200010107346_100000059175 [0,2,0,0,0,0|2,0,0]=4 16803 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](C)CO)N 7a_200010107346_100000059175 [0,2,0,0,0,0|2,0,0]=4 16804 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CF)F 34a_100010068922_100015614560 [0,2,0,0,0,0|2,0,0]=4 16805 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CF)F 7a_100010068922_100015614560 [0,2,0,0,0,0|2,0,0]=4 16806 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CF)N 34a_200010107346_100015614560 [0,2,0,0,0,0|2,0,0]=4 16807 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CF)N 7a_200010107346_100015614560 [0,2,0,0,0,0|2,0,0]=4 16808 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CO)F 34a_100010068922_100009815848 [0,2,0,0,0,0|1,0,0]=3 16809 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CO)F 7a_100010068922_100009815848 [0,2,0,0,0,0|1,0,0]=3 16810 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CO)N 34a_200010107346_100009815848 [0,2,0,0,0,0|1,0,0]=3 16811 B15R1.11472 Cc1cc(c(cc1Br)OC[C@@H](O)CO)N 7a_200010107346_100009815848 [0,2,0,0,0,0|1,0,0]=3 16812 B15R1.11472 Cc1cc(c(cc1Br)SCC(O)CO)Br 62a_100011219619_100012929169 [0,2,0,0,0,0|1,1,0]=4 16813 B15R1.11472 Cc1cc(c(cc1Br)SCC(O)CO)Br 62a_100012929169_100011219619 [0,2,0,0,0,0|1,1,0]=4 16814 B15R1.11472 Cc1cc(c(cc1Br)SCC(O)CO)F 62a_100011068846_100011219619 [0,2,0,0,0,0|1,1,0]=4 16815 B15R1.11472 Cc1cc(c(cc1Br)SCC(O)CO)F 62a_100011219619_100011068846 [0,2,0,0,0,0|1,1,0]=4 16816 B15R1.11472 Cc1cc(c(cc1Br)SC[C@@H](O)CO)Br 62a_100009815848_100012929169 [0,2,0,0,0,0|1,1,0]=4 16817 B15R1.11472 Cc1cc(c(cc1Br)SC[C@@H](O)CO)Br 62a_100012929169_100009815848 [0,2,0,0,0,0|1,1,0]=4 16818 B15R1.11472 Cc1cc(c(cc1Br)SC[C@@H](O)CO)F 62a_100009815848_100011068846 [0,2,0,0,0,0|1,1,0]=4 16819 B15R1.11472 Cc1cc(c(cc1Br)SC[C@@H](O)CO)F 62a_100011068846_100009815848 [0,2,0,0,0,0|1,1,0]=4 16820 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)Br 34a_100012337760_100011219619 [0,2,0,0,0,0|2,0,0]=4 16821 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)Br 7a_100012337760_100011219619 [0,2,0,0,0,0|2,0,0]=4 16822 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)C 2230a_100011217141_100011219619 [0,2,0,0,0,0|2,0,0]=4 16823 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)C 34a_100011217141_100011219619 [0,2,0,0,0,0|2,0,0]=4 16824 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)C 7a_100011217141_100011219619 [0,2,0,0,0,0|2,0,0]=4 16825 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)Cl 34a_100012183282_100011219619 [0,2,0,0,0,0|2,0,0]=4 16826 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)Cl 7a_100012183282_100011219619 [0,2,0,0,0,0|2,0,0]=4 16827 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)I 34a_100012353678_100011219619 [0,2,0,0,0,0|2,0,0]=4 16828 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)I 7a_100012353678_100011219619 [0,2,0,0,0,0|2,0,0]=4 16829 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)O 34a_100133014134_100011219619 [0,2,0,0,0,0|2,0,0]=4 16830 B15R1.11472 Cc1cc(c(cc1C)NCC(O)CO)O 7a_100133014134_100011219619 [0,2,0,0,0,0|2,0,0]=4 16831 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)Br 34a_100012337760_100009815848 [0,2,0,0,0,0|2,0,0]=4 16832 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)Br 7a_100012337760_100009815848 [0,2,0,0,0,0|2,0,0]=4 16833 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)C 2230a_100011217141_100009815848 [0,2,0,0,0,0|2,0,0]=4 16834 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)C 34a_100011217141_100009815848 [0,2,0,0,0,0|2,0,0]=4 16835 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)C 7a_100011217141_100009815848 [0,2,0,0,0,0|2,0,0]=4 16836 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)Cl 34a_100012183282_100009815848 [0,2,0,0,0,0|2,0,0]=4 16837 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)Cl 7a_100012183282_100009815848 [0,2,0,0,0,0|2,0,0]=4 16838 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)I 34a_100012353678_100009815848 [0,2,0,0,0,0|2,0,0]=4 16839 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)I 7a_100012353678_100009815848 [0,2,0,0,0,0|2,0,0]=4 16840 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)O 34a_100133014134_100009815848 [0,2,0,0,0,0|2,0,0]=4 16841 B15R1.11472 Cc1cc(c(cc1C)NC[C@@H](O)CO)O 7a_100133014134_100009815848 [0,2,0,0,0,0|2,0,0]=4 16842 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)Br 34a_100009814663_100011219619 [0,2,0,0,0,0|1,0,0]=3 16843 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)Br 7a_100009814663_100011219619 [0,2,0,0,0,0|1,0,0]=3 16844 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)C 34a_200000047129_100011219619 [0,2,0,0,0,0|1,0,0]=3 16845 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)C 7a_200000047129_100011219619 [0,2,0,0,0,0|1,0,0]=3 16846 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)Cl 34a_100000031796_100011219619 [0,2,0,0,0,0|1,0,0]=3 16847 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)Cl 7a_100000031796_100011219619 [0,2,0,0,0,0|1,0,0]=3 16848 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)N 34a_100133014134_100011219619 [0,2,0,0,0,0|1,0,0]=3 16849 B15R1.11472 Cc1cc(c(cc1C)OCC(O)CO)N 7a_100133014134_100011219619 [0,2,0,0,0,0|1,0,0]=3 16850 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)Br 34a_100009814663_100000059175 [0,2,0,0,0,0|2,0,0]=4 16851 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)Br 7a_100009814663_100000059175 [0,2,0,0,0,0|2,0,0]=4 16852 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)C 34a_200000047129_100000059175 [0,2,0,0,0,0|2,0,0]=4 16853 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)C 7a_200000047129_100000059175 [0,2,0,0,0,0|2,0,0]=4 16854 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)Cl 34a_100000031796_100000059175 [0,2,0,0,0,0|2,0,0]=4 16855 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)Cl 7a_100000031796_100000059175 [0,2,0,0,0,0|2,0,0]=4 16856 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)N 34a_100133014134_100000059175 [0,2,0,0,0,0|2,0,0]=4 16857 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](C)CO)N 7a_100133014134_100000059175 [0,2,0,0,0,0|2,0,0]=4 16858 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)Br 34a_100009814663_100015614560 [0,2,0,0,0,0|2,0,0]=4 16859 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)Br 7a_100009814663_100015614560 [0,2,0,0,0,0|2,0,0]=4 16860 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)C 34a_200000047129_100015614560 [0,2,0,0,0,0|2,0,0]=4 16861 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)C 7a_200000047129_100015614560 [0,2,0,0,0,0|2,0,0]=4 16862 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)Cl 34a_100000031796_100015614560 [0,2,0,0,0,0|2,0,0]=4 16863 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)Cl 7a_100000031796_100015614560 [0,2,0,0,0,0|2,0,0]=4 16864 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)N 34a_100133014134_100015614560 [0,2,0,0,0,0|2,0,0]=4 16865 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CF)N 7a_100133014134_100015614560 [0,2,0,0,0,0|2,0,0]=4 16866 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)Br 34a_100009814663_100009815848 [0,2,0,0,0,0|1,0,0]=3 16867 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)Br 7a_100009814663_100009815848 [0,2,0,0,0,0|1,0,0]=3 16868 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)C 34a_200000047129_100009815848 [0,2,0,0,0,0|1,0,0]=3 16869 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)C 7a_200000047129_100009815848 [0,2,0,0,0,0|1,0,0]=3 16870 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)Cl 34a_100000031796_100009815848 [0,2,0,0,0,0|1,0,0]=3 16871 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)Cl 7a_100000031796_100009815848 [0,2,0,0,0,0|1,0,0]=3 16872 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)N 34a_100133014134_100009815848 [0,2,0,0,0,0|1,0,0]=3 16873 B15R1.11472 Cc1cc(c(cc1C)OC[C@@H](O)CO)N 7a_100133014134_100009815848 [0,2,0,0,0,0|1,0,0]=3 16874 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)C 62a_100000759388_100011219619 [0,2,0,0,0,0|1,1,0]=4 16875 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)C 62a_100011219619_100000759388 [0,2,0,0,0,0|1,1,0]=4 16876 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)F 62a_100010197417_100011219619 [0,2,0,0,0,0|1,1,0]=4 16877 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)F 62a_100011219619_100010197417 [0,2,0,0,0,0|1,1,0]=4 16878 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)N 62a_100011219619_100012337760 [0,2,0,0,0,0|1,1,0]=4 16879 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)N 62a_100012337760_100011219619 [0,2,0,0,0,0|1,1,0]=4 16880 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)O 62a_100009814663_100011219619 [0,2,0,0,0,0|1,1,0]=4 16881 B15R1.11472 Cc1cc(c(cc1C)SCC(O)CO)O 62a_100011219619_100009814663 [0,2,0,0,0,0|1,1,0]=4 16882 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)C 62a_100000759388_100009815848 [0,2,0,0,0,0|1,1,0]=4 16883 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)C 62a_100009815848_100000759388 [0,2,0,0,0,0|1,1,0]=4 16884 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)F 62a_100009815848_100010197417 [0,2,0,0,0,0|1,1,0]=4 16885 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)F 62a_100010197417_100009815848 [0,2,0,0,0,0|1,1,0]=4 16886 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)N 62a_100009815848_100012337760 [0,2,0,0,0,0|1,1,0]=4 16887 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)N 62a_100012337760_100009815848 [0,2,0,0,0,0|1,1,0]=4 16888 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)O 62a_100009814663_100009815848 [0,2,0,0,0,0|1,1,0]=4 16889 B15R1.11472 Cc1cc(c(cc1C)SC[C@@H](O)CO)O 62a_100009815848_100009814663 [0,2,0,0,0,0|1,1,0]=4 16890 B15R1.11472 Cc1cc(c(cc1Cl)Br)OCC(O)CO 34a_100022700756_100011219619 [0,2,0,0,0,0|0,0,0]=2 16891 B15R1.11472 Cc1cc(c(cc1Cl)Br)OCC(O)CO 7a_100022700756_100011219619 [0,2,0,0,0,0|0,0,0]=2 16892 B15R1.11472 Cc1cc(c(cc1Cl)Br)OC[C@@H](C)CO 34a_100022700756_100000059175 [0,2,0,0,0,0|1,0,0]=3 16893 B15R1.11472 Cc1cc(c(cc1Cl)Br)OC[C@@H](C)CO 7a_100022700756_100000059175 [0,2,0,0,0,0|1,0,0]=3 16894 B15R1.11472 Cc1cc(c(cc1Cl)Br)OC[C@@H](O)CF 34a_100022700756_100015614560 [0,2,0,0,0,0|1,0,0]=3 16895 B15R1.11472 Cc1cc(c(cc1Cl)Br)OC[C@@H](O)CF 7a_100022700756_100015614560 [0,2,0,0,0,0|1,0,0]=3 16896 B15R1.11472 Cc1cc(c(cc1Cl)Br)OC[C@@H](O)CO 34a_100022700756_100009815848 [0,2,0,0,0,0|0,0,0]=2 16897 B15R1.11472 Cc1cc(c(cc1Cl)Br)OC[C@@H](O)CO 7a_100022700756_100009815848 [0,2,0,0,0,0|0,0,0]=2 16898 B15R1.11472 Cc1cc(c(cc1Cl)C)NCC(O)CO 2230a_100011830454_100011219619 [0,2,0,0,0,0|1,0,0]=3 16899 B15R1.11472 Cc1cc(c(cc1Cl)C)NCC(O)CO 34a_100011830454_100011219619 [0,2,0,0,0,0|1,0,0]=3 16900 B15R1.11472 Cc1cc(c(cc1Cl)C)NCC(O)CO 7a_100011830454_100011219619 [0,2,0,0,0,0|1,0,0]=3 16901 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](C)CO 2230a_100011830454_100000059175 [0,2,0,0,0,0|2,0,0]=4 16902 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](C)CO 34a_100011830454_100000059175 [0,2,0,0,0,0|2,0,0]=4 16903 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](C)CO 7a_100011830454_100000059175 [0,2,0,0,0,0|2,0,0]=4 16904 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](O)CF 2230a_100011830454_100015614560 [0,2,0,0,0,0|2,0,0]=4 16905 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](O)CF 34a_100011830454_100015614560 [0,2,0,0,0,0|2,0,0]=4 16906 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](O)CF 7a_100011830454_100015614560 [0,2,0,0,0,0|2,0,0]=4 16907 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](O)CO 2230a_100011830454_100009815848 [0,2,0,0,0,0|1,0,0]=3 16908 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](O)CO 34a_100011830454_100009815848 [0,2,0,0,0,0|1,0,0]=3 16909 B15R1.11472 Cc1cc(c(cc1Cl)C)NC[C@@H](O)CO 7a_100011830454_100009815848 [0,2,0,0,0,0|1,0,0]=3 16910 B15R1.11472 Cc1cc(c(cc1Cl)C)SCC(O)CO 62a_100011219619_100012357408 [0,2,0,0,0,0|0,1,0]=3 16911 B15R1.11472 Cc1cc(c(cc1Cl)C)SCC(O)CO 62a_100012357408_100011219619 [0,2,0,0,0,0|0,1,0]=3 16912 B15R1.11472 Cc1cc(c(cc1Cl)C)SC[C@@H](C)CO 62a_100000059175_100012357408 [0,2,0,0,0,0|1,1,0]=4 16913 B15R1.11472 Cc1cc(c(cc1Cl)C)SC[C@@H](C)CO 62a_100012357408_100000059175 [0,2,0,0,0,0|1,1,0]=4 16914 B15R1.11472 Cc1cc(c(cc1Cl)C)SC[C@@H](O)CF 62a_100012357408_100015614560 [0,2,0,0,0,0|1,1,0]=4 16915 B15R1.11472 Cc1cc(c(cc1Cl)C)SC[C@@H](O)CF 62a_100015614560_100012357408 [0,2,0,0,0,0|1,1,0]=4 16916 B15R1.11472 Cc1cc(c(cc1Cl)C)SC[C@@H](O)CO 62a_100009815848_100012357408 [0,2,0,0,0,0|0,1,0]=3 16917 B15R1.11472 Cc1cc(c(cc1Cl)C)SC[C@@H](O)CO 62a_100012357408_100009815848 [0,2,0,0,0,0|0,1,0]=3 16918 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NCC(O)CO 34a_100012000392_100011219619 [0,2,0,0,0,0|1,0,0]=3 16919 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NCC(O)CO 7a_100012000392_100011219619 [0,2,0,0,0,0|1,0,0]=3 16920 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NC[C@@H](C)CO 34a_100012000392_100000059175 [0,2,0,0,0,0|2,0,0]=4 16921 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NC[C@@H](C)CO 7a_100012000392_100000059175 [0,2,0,0,0,0|2,0,0]=4 16922 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NC[C@@H](O)CF 34a_100012000392_100015614560 [0,2,0,0,0,0|2,0,0]=4 16923 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NC[C@@H](O)CF 7a_100012000392_100015614560 [0,2,0,0,0,0|2,0,0]=4 16924 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NC[C@@H](O)CO 34a_100012000392_100009815848 [0,2,0,0,0,0|1,0,0]=3 16925 B15R1.11472 Cc1cc(c(cc1Cl)Cl)NC[C@@H](O)CO 7a_100012000392_100009815848 [0,2,0,0,0,0|1,0,0]=3 16926 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OCC(O)CO 34a_100012002691_100011219619 [0,2,0,0,0,0|0,0,0]=2 16927 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OCC(O)CO 7a_100012002691_100011219619 [0,2,0,0,0,0|0,0,0]=2 16928 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OC[C@@H](C)CO 34a_100012002691_100000059175 [0,2,0,0,0,0|1,0,0]=3 16929 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OC[C@@H](C)CO 7a_100012002691_100000059175 [0,2,0,0,0,0|1,0,0]=3 16930 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OC[C@@H](O)CF 34a_100012002691_100015614560 [0,2,0,0,0,0|1,0,0]=3 16931 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OC[C@@H](O)CF 7a_100012002691_100015614560 [0,2,0,0,0,0|1,0,0]=3 16932 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OC[C@@H](O)CO 34a_100012002691_100009815848 [0,2,0,0,0,0|0,0,0]=2 16933 B15R1.11472 Cc1cc(c(cc1Cl)Cl)OC[C@@H](O)CO 7a_100012002691_100009815848 [0,2,0,0,0,0|0,0,0]=2 16934 B15R1.11472 Cc1cc(c(cc1Cl)F)NCC(O)CO 34a_100000091823_100011219619 [0,2,0,0,0,0|1,0,0]=3 16935 B15R1.11472 Cc1cc(c(cc1Cl)F)NCC(O)CO 7a_100000091823_100011219619 [0,2,0,0,0,0|1,0,0]=3 16936 B15R1.11472 Cc1cc(c(cc1Cl)F)NC[C@@H](C)CO 34a_100000091823_100000059175 [0,2,0,0,0,0|2,0,0]=4 16937 B15R1.11472 Cc1cc(c(cc1Cl)F)NC[C@@H](C)CO 7a_100000091823_100000059175 [0,2,0,0,0,0|2,0,0]=4 16938 B15R1.11472 Cc1cc(c(cc1Cl)F)NC[C@@H](O)CF 34a_100000091823_100015614560 [0,2,0,0,0,0|2,0,0]=4 16939 B15R1.11472 Cc1cc(c(cc1Cl)F)NC[C@@H](O)CF 7a_100000091823_100015614560 [0,2,0,0,0,0|2,0,0]=4 16940 B15R1.11472 Cc1cc(c(cc1Cl)F)NC[C@@H](O)CO 34a_100000091823_100009815848 [0,2,0,0,0,0|1,0,0]=3 16941 B15R1.11472 Cc1cc(c(cc1Cl)F)NC[C@@H](O)CO 7a_100000091823_100009815848 [0,2,0,0,0,0|1,0,0]=3 16942 B15R1.11472 Cc1cc(c(cc1Cl)N)OCC(O)CO 34a_100000091707_100011219619 [0,2,0,0,0,0|0,0,0]=2 16943 B15R1.11472 Cc1cc(c(cc1Cl)N)OCC(O)CO 7a_100000091707_100011219619 [0,2,0,0,0,0|0,0,0]=2 16944 B15R1.11472 Cc1cc(c(cc1Cl)N)OC[C@@H](C)CO 34a_100000091707_100000059175 [0,2,0,0,0,0|1,0,0]=3 16945 B15R1.11472 Cc1cc(c(cc1Cl)N)OC[C@@H](C)CO 7a_100000091707_100000059175 [0,2,0,0,0,0|1,0,0]=3 16946 B15R1.11472 Cc1cc(c(cc1Cl)N)OC[C@@H](O)CF 34a_100000091707_100015614560 [0,2,0,0,0,0|1,0,0]=3 16947 B15R1.11472 Cc1cc(c(cc1Cl)N)OC[C@@H](O)CF 7a_100000091707_100015614560 [0,2,0,0,0,0|1,0,0]=3 16948 B15R1.11472 Cc1cc(c(cc1Cl)N)OC[C@@H](O)CO 34a_100000091707_100009815848 [0,2,0,0,0,0|0,0,0]=2 16949 B15R1.11472 Cc1cc(c(cc1Cl)N)OC[C@@H](O)CO 7a_100000091707_100009815848 [0,2,0,0,0,0|0,0,0]=2 16950 B15R1.11472 Cc1cc(c(cc1Cl)NCC(O)CO)Br 34a_100000702286_100011219619 [0,2,0,0,0,0|2,0,0]=4 16951 B15R1.11472 Cc1cc(c(cc1Cl)NCC(O)CO)Br 7a_100000702286_100011219619 [0,2,0,0,0,0|2,0,0]=4 16952 B15R1.11472 Cc1cc(c(cc1Cl)NCC(O)CO)O 34a_100000091707_100011219619 [0,2,0,0,0,0|2,0,0]=4 16953 B15R1.11472 Cc1cc(c(cc1Cl)NC[C@@H](O)CO)Br 34a_100000702286_100009815848 [0,2,0,0,0,0|2,0,0]=4 16954 B15R1.11472 Cc1cc(c(cc1Cl)NC[C@@H](O)CO)Br 7a_100000702286_100009815848 [0,2,0,0,0,0|2,0,0]=4 16955 B15R1.11472 Cc1cc(c(cc1Cl)NC[C@@H](O)CO)O 34a_100000091707_100009815848 [0,2,0,0,0,0|2,0,0]=4 16956 B15R1.11472 Cc1cc(c(cc1F)Br)NCC(O)CO 34a_100010233353_100011219619 [0,2,0,0,0,0|1,1,0]=4 16957 B15R1.11472 Cc1cc(c(cc1F)Br)NCC(O)CO 7a_100010233353_100011219619 [0,2,0,0,0,0|1,1,0]=4 16958 B15R1.11472 Cc1cc(c(cc1F)Br)NC[C@@H](O)CO 34a_100010233353_100009815848 [0,2,0,0,0,0|1,1,0]=4 16959 B15R1.11472 Cc1cc(c(cc1F)Br)NC[C@@H](O)CO 7a_100010233353_100009815848 [0,2,0,0,0,0|1,1,0]=4 16960 B15R1.11472 Cc1cc(c(cc1F)Br)SCC(O)CO 62a_100011219619_200009814773 [0,2,0,0,0,0|0,2,0]=4 16961 B15R1.11472 Cc1cc(c(cc1F)Br)SCC(O)CO 62a_200009814773_100011219619 [0,2,0,0,0,0|0,2,0]=4 16962 B15R1.11472 Cc1cc(c(cc1F)Br)SC[C@@H](O)CO 62a_100009815848_200009814773 [0,2,0,0,0,0|0,2,0]=4 16963 B15R1.11472 Cc1cc(c(cc1F)Br)SC[C@@H](O)CO 62a_200009814773_100009815848 [0,2,0,0,0,0|0,2,0]=4 16964 B15R1.11472 Cc1cc(c(cc1F)C)OCC(O)CO 34a_100010674473_100011219619 [0,2,0,0,0,0|0,1,0]=3 16965 B15R1.11472 Cc1cc(c(cc1F)C)OCC(O)CO 7a_100010674473_100011219619 [0,2,0,0,0,0|0,1,0]=3 16966 B15R1.11472 Cc1cc(c(cc1F)C)OC[C@@H](C)CO 34a_100010674473_100000059175 [0,2,0,0,0,0|1,1,0]=4 16967 B15R1.11472 Cc1cc(c(cc1F)C)OC[C@@H](C)CO 7a_100010674473_100000059175 [0,2,0,0,0,0|1,1,0]=4 16968 B15R1.11472 Cc1cc(c(cc1F)C)OC[C@@H](O)CF 34a_100010674473_100015614560 [0,2,0,0,0,0|1,1,0]=4 16969 B15R1.11472 Cc1cc(c(cc1F)C)OC[C@@H](O)CF 7a_100010674473_100015614560 [0,2,0,0,0,0|1,1,0]=4 16970 B15R1.11472 Cc1cc(c(cc1F)C)OC[C@@H](O)CO 34a_100010674473_100009815848 [0,2,0,0,0,0|0,1,0]=3 16971 B15R1.11472 Cc1cc(c(cc1F)C)OC[C@@H](O)CO 7a_100010674473_100009815848 [0,2,0,0,0,0|0,1,0]=3 16972 B15R1.11472 Cc1cc(c(cc1F)C)SCC(O)CO 62a_100010212296_100011219619 [0,2,0,0,0,0|0,2,0]=4 16973 B15R1.11472 Cc1cc(c(cc1F)C)SCC(O)CO 62a_100011219619_100010212296 [0,2,0,0,0,0|0,2,0]=4 16974 B15R1.11472 Cc1cc(c(cc1F)C)SC[C@@H](O)CO 62a_100009815848_100010212296 [0,2,0,0,0,0|0,2,0]=4 16975 B15R1.11472 Cc1cc(c(cc1F)C)SC[C@@H](O)CO 62a_100010212296_100009815848 [0,2,0,0,0,0|0,2,0]=4 16976 B15R1.11472 Cc1cc(c(cc1F)Cl)NCC(O)CO 34a_100000729549_100011219619 [0,2,0,0,0,0|1,1,0]=4 16977 B15R1.11472 Cc1cc(c(cc1F)Cl)NCC(O)CO 7a_100000729549_100011219619 [0,2,0,0,0,0|1,1,0]=4 16978 B15R1.11472 Cc1cc(c(cc1F)Cl)NC[C@@H](O)CO 34a_100000729549_100009815848 [0,2,0,0,0,0|1,1,0]=4 16979 B15R1.11472 Cc1cc(c(cc1F)Cl)NC[C@@H](O)CO 7a_100000729549_100009815848 [0,2,0,0,0,0|1,1,0]=4 16980 B15R1.11472 Cc1cc(c(cc1F)F)SCC(O)CO 62a_100000692463_100011219619 [0,2,0,0,0,0|0,2,0]=4 16981 B15R1.11472 Cc1cc(c(cc1F)F)SCC(O)CO 62a_100011219619_100000692463 [0,2,0,0,0,0|0,2,0]=4 16982 B15R1.11472 Cc1cc(c(cc1F)F)SC[C@@H](O)CO 62a_100000692463_100009815848 [0,2,0,0,0,0|0,2,0]=4 16983 B15R1.11472 Cc1cc(c(cc1F)F)SC[C@@H](O)CO 62a_100009815848_100000692463 [0,2,0,0,0,0|0,2,0]=4 16984 B15R1.11472 Cc1cc(c(cc1F)I)NCC(O)CO 34a_100010238302_100011219619 [0,2,0,0,0,0|1,1,0]=4 16985 B15R1.11472 Cc1cc(c(cc1F)I)NCC(O)CO 7a_100010238302_100011219619 [0,2,0,0,0,0|1,1,0]=4 16986 B15R1.11472 Cc1cc(c(cc1F)I)NC[C@@H](O)CO 34a_100010238302_100009815848 [0,2,0,0,0,0|1,1,0]=4 16987 B15R1.11472 Cc1cc(c(cc1F)I)NC[C@@H](O)CO 7a_100010238302_100009815848 [0,2,0,0,0,0|1,1,0]=4 16988 B15R1.11472 Cc1cc(c(cc1F)N)SCC(O)CO 62a_100011218008_100011219619 [0,2,0,0,0,0|0,2,0]=4 16989 B15R1.11472 Cc1cc(c(cc1F)N)SCC(O)CO 62a_100011219619_100011218008 [0,2,0,0,0,0|0,2,0]=4 16990 B15R1.11472 Cc1cc(c(cc1F)N)SC[C@@H](O)CO 62a_100009815848_100011218008 [0,2,0,0,0,0|0,2,0]=4 16991 B15R1.11472 Cc1cc(c(cc1F)N)SC[C@@H](O)CO 62a_100011218008_100009815848 [0,2,0,0,0,0|0,2,0]=4 16992 B15R1.11472 Cc1cc(c(cc1F)NCC(O)CO)Br 34a_100011218008_100011219619 [0,2,0,0,0,0|2,0,0]=4 16993 B15R1.11472 Cc1cc(c(cc1F)NCC(O)CO)Br 7a_100011218008_100011219619 [0,2,0,0,0,0|2,0,0]=4 16994 B15R1.11472 Cc1cc(c(cc1F)NCC(O)CO)F 2230a_100012002673_100011219619 [0,2,0,0,0,0|2,0,0]=4 16995 B15R1.11472 Cc1cc(c(cc1F)NCC(O)CO)F 34a_100012002673_100011219619 [0,2,0,0,0,0|2,0,0]=4 16996 B15R1.11472 Cc1cc(c(cc1F)NCC(O)CO)F 7a_100012002673_100011219619 [0,2,0,0,0,0|2,0,0]=4 16997 B15R1.11472 Cc1cc(c(cc1F)NC[C@@H](O)CO)Br 34a_100011218008_100009815848 [0,2,0,0,0,0|2,0,0]=4 16998 B15R1.11472 Cc1cc(c(cc1F)NC[C@@H](O)CO)Br 7a_100011218008_100009815848 [0,2,0,0,0,0|2,0,0]=4 16999 B15R1.11472 Cc1cc(c(cc1F)NC[C@@H](O)CO)F 2230a_100012002673_100009815848 [0,2,0,0,0,0|2,0,0]=4 17000 B15R1.11472 Cc1cc(c(cc1F)NC[C@@H](O)CO)F 34a_100012002673_100009815848 [0,2,0,0,0,0|2,0,0]=4 17001 B15R1.11472 Cc1cc(c(cc1F)NC[C@@H](O)CO)F 7a_100012002673_100009815848 [0,2,0,0,0,0|2,0,0]=4 17002 B15R1.11472 Cc1cc(c(cc1F)O)NCC(O)CO 34a_100012022779_100011219619 [0,2,0,0,0,0|1,1,0]=4 17003 B15R1.11472 Cc1cc(c(cc1F)O)NCC(O)CO 7a_100012022779_100011219619 [0,2,0,0,0,0|1,1,0]=4 17004 B15R1.11472 Cc1cc(c(cc1F)O)NC[C@@H](O)CO 34a_100012022779_100009815848 [0,2,0,0,0,0|1,1,0]=4 17005 B15R1.11472 Cc1cc(c(cc1F)O)NC[C@@H](O)CO 7a_100012022779_100009815848 [0,2,0,0,0,0|1,1,0]=4 17006 B15R1.11472 Cc1cc(c(cc1F)OCC(O)CO)N 34a_100012022779_100011219619 [0,2,0,0,0,0|1,0,0]=3 17007 B15R1.11472 Cc1cc(c(cc1F)OCC(O)CO)N 7a_100012022779_100011219619 [0,2,0,0,0,0|1,0,0]=3 17008 B15R1.11472 Cc1cc(c(cc1F)OC[C@@H](C)CO)N 34a_100012022779_100000059175 [0,2,0,0,0,0|2,0,0]=4 17009 B15R1.11472 Cc1cc(c(cc1F)OC[C@@H](C)CO)N 7a_100012022779_100000059175 [0,2,0,0,0,0|2,0,0]=4 17010 B15R1.11472 Cc1cc(c(cc1F)OC[C@@H](O)CF)N 34a_100012022779_100015614560 [0,2,0,0,0,0|2,0,0]=4 17011 B15R1.11472 Cc1cc(c(cc1F)OC[C@@H](O)CF)N 7a_100012022779_100015614560 [0,2,0,0,0,0|2,0,0]=4 17012 B15R1.11472 Cc1cc(c(cc1F)OC[C@@H](O)CO)N 34a_100012022779_100009815848 [0,2,0,0,0,0|1,0,0]=3 17013 B15R1.11472 Cc1cc(c(cc1F)OC[C@@H](O)CO)N 7a_100012022779_100009815848 [0,2,0,0,0,0|1,0,0]=3 17014 B15R1.11472 Cc1cc(c(cc1F)SCC(O)CO)Br 62a_100011219619_200009814774 [0,2,0,0,0,0|1,1,0]=4 17015 B15R1.11472 Cc1cc(c(cc1F)SCC(O)CO)Br 62a_200009814774_100011219619 [0,2,0,0,0,0|1,1,0]=4 17016 B15R1.11472 Cc1cc(c(cc1F)SCC(O)CO)F 62a_100011219510_100011219619 [0,2,0,0,0,0|1,1,0]=4 17017 B15R1.11472 Cc1cc(c(cc1F)SCC(O)CO)F 62a_100011219619_100011219510 [0,2,0,0,0,0|1,1,0]=4 17018 B15R1.11472 Cc1cc(c(cc1F)SCC(O)CO)N 62a_100010233353_100011219619 [0,2,0,0,0,0|1,1,0]=4 17019 B15R1.11472 Cc1cc(c(cc1F)SCC(O)CO)N 62a_100011219619_100010233353 [0,2,0,0,0,0|1,1,0]=4 17020 B15R1.11472 Cc1cc(c(cc1F)SC[C@@H](O)CO)Br 62a_100009815848_200009814774 [0,2,0,0,0,0|1,1,0]=4 17021 B15R1.11472 Cc1cc(c(cc1F)SC[C@@H](O)CO)Br 62a_200009814774_100009815848 [0,2,0,0,0,0|1,1,0]=4 17022 B15R1.11472 Cc1cc(c(cc1F)SC[C@@H](O)CO)F 62a_100009815848_100011219510 [0,2,0,0,0,0|1,1,0]=4 17023 B15R1.11472 Cc1cc(c(cc1F)SC[C@@H](O)CO)F 62a_100011219510_100009815848 [0,2,0,0,0,0|1,1,0]=4 17024 B15R1.11472 Cc1cc(c(cc1F)SC[C@@H](O)CO)N 62a_100009815848_100010233353 [0,2,0,0,0,0|1,1,0]=4 17025 B15R1.11472 Cc1cc(c(cc1F)SC[C@@H](O)CO)N 62a_100010233353_100009815848 [0,2,0,0,0,0|1,1,0]=4 17026 B15R1.11472 Cc1cc(c(cc1I)C)OCC(O)CO 34a_200011215153_100011219619 [0,2,0,0,0,0|0,1,0]=3 17027 B15R1.11472 Cc1cc(c(cc1I)C)OCC(O)CO 7a_200011215153_100011219619 [0,2,0,0,0,0|0,1,0]=3 17028 B15R1.11472 Cc1cc(c(cc1I)C)OC[C@@H](C)CO 34a_200011215153_100000059175 [0,2,0,0,0,0|1,1,0]=4 17029 B15R1.11472 Cc1cc(c(cc1I)C)OC[C@@H](C)CO 7a_200011215153_100000059175 [0,2,0,0,0,0|1,1,0]=4 17030 B15R1.11472 Cc1cc(c(cc1I)C)OC[C@@H](O)CF 34a_200011215153_100015614560 [0,2,0,0,0,0|1,1,0]=4 17031 B15R1.11472 Cc1cc(c(cc1I)C)OC[C@@H](O)CF 7a_200011215153_100015614560 [0,2,0,0,0,0|1,1,0]=4 17032 B15R1.11472 Cc1cc(c(cc1I)C)OC[C@@H](O)CO 34a_200011215153_100009815848 [0,2,0,0,0,0|0,1,0]=3 17033 B15R1.11472 Cc1cc(c(cc1I)C)OC[C@@H](O)CO 7a_200011215153_100009815848 [0,2,0,0,0,0|0,1,0]=3 17034 B15R1.11472 Cc1cc(c(cc1I)NCC(O)CO)F 34a_100011014115_100011219619 [0,2,0,0,0,0|2,0,0]=4 17035 B15R1.11472 Cc1cc(c(cc1I)NCC(O)CO)F 7a_100011014115_100011219619 [0,2,0,0,0,0|2,0,0]=4 17036 B15R1.11472 Cc1cc(c(cc1I)NC[C@@H](O)CO)F 34a_100011014115_100009815848 [0,2,0,0,0,0|2,0,0]=4 17037 B15R1.11472 Cc1cc(c(cc1I)NC[C@@H](O)CO)F 7a_100011014115_100009815848 [0,2,0,0,0,0|2,0,0]=4 17038 B15R1.11472 Cc1cc(c(cc1N)C)OCC(O)CO 34a_100000720036_100011219619 [0,2,0,0,0,0|1,0,0]=3 17039 B15R1.11472 Cc1cc(c(cc1N)C)OCC(O)CO 7a_100000720036_100011219619 [0,2,0,0,0,0|1,0,0]=3 17040 B15R1.11472 Cc1cc(c(cc1N)C)OC[C@@H](C)CO 34a_100000720036_100000059175 [0,2,0,0,0,0|2,0,0]=4 17041 B15R1.11472 Cc1cc(c(cc1N)C)OC[C@@H](C)CO 7a_100000720036_100000059175 [0,2,0,0,0,0|2,0,0]=4 17042 B15R1.11472 Cc1cc(c(cc1N)C)OC[C@@H](O)CF 34a_100000720036_100015614560 [0,2,0,0,0,0|2,0,0]=4 17043 B15R1.11472 Cc1cc(c(cc1N)C)OC[C@@H](O)CF 7a_100000720036_100015614560 [0,2,0,0,0,0|2,0,0]=4 17044 B15R1.11472 Cc1cc(c(cc1N)C)OC[C@@H](O)CO 34a_100000720036_100009815848 [0,2,0,0,0,0|1,0,0]=3 17045 B15R1.11472 Cc1cc(c(cc1N)C)OC[C@@H](O)CO 7a_100000720036_100009815848 [0,2,0,0,0,0|1,0,0]=3 17046 B15R1.11472 Cc1cc(c(cc1N)C)SCC(O)CO 62a_100011219619_100011934712 [0,2,0,0,0,0|1,1,0]=4 17047 B15R1.11472 Cc1cc(c(cc1N)C)SCC(O)CO 62a_100011934712_100011219619 [0,2,0,0,0,0|1,1,0]=4 17048 B15R1.11472 Cc1cc(c(cc1N)C)SC[C@@H](O)CO 62a_100009815848_100011934712 [0,2,0,0,0,0|1,1,0]=4 17049 B15R1.11472 Cc1cc(c(cc1N)C)SC[C@@H](O)CO 62a_100011934712_100009815848 [0,2,0,0,0,0|1,1,0]=4 17050 B15R1.11472 Cc1cc(c(cc1N)F)SCC(O)CO 62a_100000695870_100011219619 [0,2,0,0,0,0|1,1,0]=4 17051 B15R1.11472 Cc1cc(c(cc1N)F)SCC(O)CO 62a_100011219619_100000695870 [0,2,0,0,0,0|1,1,0]=4 17052 B15R1.11472 Cc1cc(c(cc1N)F)SC[C@@H](O)CO 62a_100000695870_100009815848 [0,2,0,0,0,0|1,1,0]=4 17053 B15R1.11472 Cc1cc(c(cc1N)F)SC[C@@H](O)CO 62a_100009815848_100000695870 [0,2,0,0,0,0|1,1,0]=4 17054 B15R1.11472 Cc1cc(c(cc1N)N)SCC(O)CO 62a_100011219619_200013038441 [0,2,0,0,0,0|1,1,0]=4 17055 B15R1.11472 Cc1cc(c(cc1N)N)SCC(O)CO 62a_200013038441_100011219619 [0,2,0,0,0,0|1,1,0]=4 17056 B15R1.11472 Cc1cc(c(cc1N)N)SC[C@@H](O)CO 62a_100009815848_200013038441 [0,2,0,0,0,0|1,1,0]=4 17057 B15R1.11472 Cc1cc(c(cc1N)N)SC[C@@H](O)CO 62a_200013038441_100009815848 [0,2,0,0,0,0|1,1,0]=4 17058 B15R1.11472 Cc1cc(c(cc1N)OCC(O)CO)Cl 34a_100009961766_100011219619 [0,2,0,0,0,0|1,0,0]=3 17059 B15R1.11472 Cc1cc(c(cc1N)OCC(O)CO)Cl 7a_100009961766_100011219619 [0,2,0,0,0,0|1,0,0]=3 17060 B15R1.11472 Cc1cc(c(cc1N)OC[C@@H](C)CO)Cl 34a_100009961766_100000059175 [0,2,0,0,0,0|2,0,0]=4 17061 B15R1.11472 Cc1cc(c(cc1N)OC[C@@H](C)CO)Cl 7a_100009961766_100000059175 [0,2,0,0,0,0|2,0,0]=4 17062 B15R1.11472 Cc1cc(c(cc1N)OC[C@@H](O)CF)Cl 34a_100009961766_100015614560 [0,2,0,0,0,0|2,0,0]=4 17063 B15R1.11472 Cc1cc(c(cc1N)OC[C@@H](O)CF)Cl 7a_100009961766_100015614560 [0,2,0,0,0,0|2,0,0]=4 17064 B15R1.11472 Cc1cc(c(cc1N)OC[C@@H](O)CO)Cl 34a_100009961766_100009815848 [0,2,0,0,0,0|1,0,0]=3 17065 B15R1.11472 Cc1cc(c(cc1N)OC[C@@H](O)CO)Cl 7a_100009961766_100009815848 [0,2,0,0,0,0|1,0,0]=3 17066 B15R1.11472 Cc1cc(c(cc1N)SCC(O)CO)C 62a_100000703630_100011219619 [0,2,0,0,0,0|1,1,0]=4 17067 B15R1.11472 Cc1cc(c(cc1N)SCC(O)CO)C 62a_100011219619_100000703630 [0,2,0,0,0,0|1,1,0]=4 17068 B15R1.11472 Cc1cc(c(cc1N)SCC(O)CO)F 62a_100000717900_100011219619 [0,2,0,0,0,0|1,1,0]=4 17069 B15R1.11472 Cc1cc(c(cc1N)SCC(O)CO)F 62a_100011219619_100000717900 [0,2,0,0,0,0|1,1,0]=4 17070 B15R1.11472 Cc1cc(c(cc1N)SC[C@@H](O)CO)C 62a_100000703630_100009815848 [0,2,0,0,0,0|1,1,0]=4 17071 B15R1.11472 Cc1cc(c(cc1N)SC[C@@H](O)CO)C 62a_100009815848_100000703630 [0,2,0,0,0,0|1,1,0]=4 17072 B15R1.11472 Cc1cc(c(cc1N)SC[C@@H](O)CO)F 62a_100000717900_100009815848 [0,2,0,0,0,0|1,1,0]=4 17073 B15R1.11472 Cc1cc(c(cc1N)SC[C@@H](O)CO)F 62a_100009815848_100000717900 [0,2,0,0,0,0|1,1,0]=4 17074 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Br)Cl 2230a_100010244688_100011219619 [0,2,0,0,0,0|1,0,0]=3 17075 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Br)Cl 34a_100010244688_100011219619 [0,2,0,0,0,0|1,0,0]=3 17076 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Br)Cl 7a_100010244688_100011219619 [0,2,0,0,0,0|1,0,0]=3 17077 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Br)F 2230a_100000717900_100011219619 [0,2,0,0,0,0|1,1,0]=4 17078 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Br)F 34a_100000717900_100011219619 [0,2,0,0,0,0|1,1,0]=4 17079 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Br)F 7a_100000717900_100011219619 [0,2,0,0,0,0|1,1,0]=4 17080 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)Br 2230a_100012353740_100011219619 [0,2,0,0,0,0|1,1,0]=4 17081 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)Br 34a_100012353740_100011219619 [0,2,0,0,0,0|1,1,0]=4 17082 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)Br 7a_100012353740_100011219619 [0,2,0,0,0,0|1,1,0]=4 17083 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)Cl 34a_100012017293_100011219619 [0,2,0,0,0,0|1,0,0]=3 17084 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)Cl 7a_100012017293_100011219619 [0,2,0,0,0,0|1,0,0]=3 17085 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)F 2230a_100012017673_100011219619 [0,2,0,0,0,0|1,1,0]=4 17086 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)F 34a_100012017673_100011219619 [0,2,0,0,0,0|1,1,0]=4 17087 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)Cl)F 7a_100012017673_100011219619 [0,2,0,0,0,0|1,1,0]=4 17088 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)Br 2230a_100000695870_100011219619 [0,2,0,0,0,0|1,1,0]=4 17089 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)Br 34a_100000695870_100011219619 [0,2,0,0,0,0|1,1,0]=4 17090 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)Br 7a_100000695870_100011219619 [0,2,0,0,0,0|1,1,0]=4 17091 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)F 2230a_100011830416_100011219619 [0,2,0,0,0,0|1,1,0]=4 17092 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)F 34a_100011830416_100011219619 [0,2,0,0,0,0|1,1,0]=4 17093 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)F 7a_100011830416_100011219619 [0,2,0,0,0,0|1,1,0]=4 17094 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)I 34a_100010291052_100011219619 [0,2,0,0,0,0|1,1,0]=4 17095 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)F)I 7a_100010291052_100011219619 [0,2,0,0,0,0|1,1,0]=4 17096 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)O)Cl 34a_100009961766_100011219619 [0,2,0,0,0,0|1,0,0]=3 17097 B15R1.11472 Cc1cc(c(cc1NCC(O)CO)O)Cl 7a_100009961766_100011219619 [0,2,0,0,0,0|1,0,0]=3 17098 B15R1.11472 Cc1cc(c(cc1NC[C@@H](C)CO)Br)Cl 2230a_100010244688_100000059175 [0,2,0,0,0,0|2,0,0]=4 17099 B15R1.11472 Cc1cc(c(cc1NC[C@@H](C)CO)Br)Cl 34a_100010244688_100000059175 [0,2,0,0,0,0|2,0,0]=4 17100 B15R1.11472 Cc1cc(c(cc1NC[C@@H](C)CO)Br)Cl 7a_100010244688_100000059175 [0,2,0,0,0,0|2,0,0]=4 17101 B15R1.11472 Cc1cc(c(cc1NC[C@@H](C)CO)Cl)Cl 34a_100012017293_100000059175 [0,2,0,0,0,0|2,0,0]=4 17102 B15R1.11472 Cc1cc(c(cc1NC[C@@H](C)CO)Cl)Cl 7a_100012017293_100000059175 [0,2,0,0,0,0|2,0,0]=4 17103 B15R1.11472 Cc1cc(c(cc1NC[C@@H](C)CO)O)Cl 34a_100009961766_100000059175 [0,2,0,0,0,0|2,0,0]=4 17104 B15R1.11472 Cc1cc(c(cc1NC[C@@H](C)CO)O)Cl 7a_100009961766_100000059175 [0,2,0,0,0,0|2,0,0]=4 17105 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CF)Br)Cl 2230a_100010244688_100015614560 [0,2,0,0,0,0|2,0,0]=4 17106 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CF)Br)Cl 34a_100010244688_100015614560 [0,2,0,0,0,0|2,0,0]=4 17107 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CF)Br)Cl 7a_100010244688_100015614560 [0,2,0,0,0,0|2,0,0]=4 17108 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CF)Cl)Cl 34a_100012017293_100015614560 [0,2,0,0,0,0|2,0,0]=4 17109 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CF)Cl)Cl 7a_100012017293_100015614560 [0,2,0,0,0,0|2,0,0]=4 17110 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CF)O)Cl 34a_100009961766_100015614560 [0,2,0,0,0,0|2,0,0]=4 17111 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CF)O)Cl 7a_100009961766_100015614560 [0,2,0,0,0,0|2,0,0]=4 17112 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Br)Cl 2230a_100010244688_100009815848 [0,2,0,0,0,0|1,0,0]=3 17113 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Br)Cl 34a_100010244688_100009815848 [0,2,0,0,0,0|1,0,0]=3 17114 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Br)Cl 7a_100010244688_100009815848 [0,2,0,0,0,0|1,0,0]=3 17115 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Br)F 2230a_100000717900_100009815848 [0,2,0,0,0,0|1,1,0]=4 17116 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Br)F 34a_100000717900_100009815848 [0,2,0,0,0,0|1,1,0]=4 17117 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Br)F 7a_100000717900_100009815848 [0,2,0,0,0,0|1,1,0]=4 17118 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)Br 2230a_100012353740_100009815848 [0,2,0,0,0,0|1,1,0]=4 17119 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)Br 34a_100012353740_100009815848 [0,2,0,0,0,0|1,1,0]=4 17120 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)Br 7a_100012353740_100009815848 [0,2,0,0,0,0|1,1,0]=4 17121 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)Cl 34a_100012017293_100009815848 [0,2,0,0,0,0|1,0,0]=3 17122 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)Cl 7a_100012017293_100009815848 [0,2,0,0,0,0|1,0,0]=3 17123 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)F 2230a_100012017673_100009815848 [0,2,0,0,0,0|1,1,0]=4 17124 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)F 34a_100012017673_100009815848 [0,2,0,0,0,0|1,1,0]=4 17125 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)Cl)F 7a_100012017673_100009815848 [0,2,0,0,0,0|1,1,0]=4 17126 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)Br 2230a_100000695870_100009815848 [0,2,0,0,0,0|1,1,0]=4 17127 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)Br 34a_100000695870_100009815848 [0,2,0,0,0,0|1,1,0]=4 17128 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)Br 7a_100000695870_100009815848 [0,2,0,0,0,0|1,1,0]=4 17129 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)F 2230a_100011830416_100009815848 [0,2,0,0,0,0|1,1,0]=4 17130 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)F 34a_100011830416_100009815848 [0,2,0,0,0,0|1,1,0]=4 17131 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)F 7a_100011830416_100009815848 [0,2,0,0,0,0|1,1,0]=4 17132 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)I 34a_100010291052_100009815848 [0,2,0,0,0,0|1,1,0]=4 17133 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)F)I 7a_100010291052_100009815848 [0,2,0,0,0,0|1,1,0]=4 17134 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)O)Cl 34a_100009961766_100009815848 [0,2,0,0,0,0|1,0,0]=3 17135 B15R1.11472 Cc1cc(c(cc1NC[C@@H](O)CO)O)Cl 7a_100009961766_100009815848 [0,2,0,0,0,0|1,0,0]=3 17136 B15R1.11472 Cc1cc(c(cc1O)C)NCC(O)CO 34a_100000720036_100011219619 [0,2,0,0,0,0|2,0,0]=4 17137 B15R1.11472 Cc1cc(c(cc1O)C)NCC(O)CO 7a_100000720036_100011219619 [0,2,0,0,0,0|2,0,0]=4 17138 B15R1.11472 Cc1cc(c(cc1O)C)NC[C@@H](O)CO 34a_100000720036_100009815848 [0,2,0,0,0,0|2,0,0]=4 17139 B15R1.11472 Cc1cc(c(cc1O)C)NC[C@@H](O)CO 7a_100000720036_100009815848 [0,2,0,0,0,0|2,0,0]=4 17140 B15R1.11472 Cc1cc(c(cc1O)C)SCC(O)CO 62a_100000698207_100011219619 [0,2,0,0,0,0|1,1,0]=4 17141 B15R1.11472 Cc1cc(c(cc1O)C)SCC(O)CO 62a_100011219619_100000698207 [0,2,0,0,0,0|1,1,0]=4 17142 B15R1.11472 Cc1cc(c(cc1O)C)SC[C@@H](O)CO 62a_100000698207_100009815848 [0,2,0,0,0,0|1,1,0]=4 17143 B15R1.11472 Cc1cc(c(cc1O)C)SC[C@@H](O)CO 62a_100009815848_100000698207 [0,2,0,0,0,0|1,1,0]=4 17144 B15R1.11472 Cc1cc(c(cc1O)NCC(O)CO)Cl 34a_100000092876_100011219619 [0,2,0,0,0,0|2,0,0]=4 17145 B15R1.11472 Cc1cc(c(cc1O)NCC(O)CO)Cl 7a_100000092876_100011219619 [0,2,0,0,0,0|2,0,0]=4 17146 B15R1.11472 Cc1cc(c(cc1O)NCC(O)CO)F 34a_100000117193_100011219619 [0,2,0,0,0,0|2,0,0]=4 17147 B15R1.11472 Cc1cc(c(cc1O)NCC(O)CO)F 7a_100000117193_100011219619 [0,2,0,0,0,0|2,0,0]=4 17148 B15R1.11472 Cc1cc(c(cc1O)NC[C@@H](O)CO)Cl 34a_100000092876_100009815848 [0,2,0,0,0,0|2,0,0]=4 17149 B15R1.11472 Cc1cc(c(cc1O)NC[C@@H](O)CO)Cl 7a_100000092876_100009815848 [0,2,0,0,0,0|2,0,0]=4 17150 B15R1.11472 Cc1cc(c(cc1O)NC[C@@H](O)CO)F 34a_100000117193_100009815848 [0,2,0,0,0,0|2,0,0]=4 17151 B15R1.11472 Cc1cc(c(cc1O)NC[C@@H](O)CO)F 7a_100000117193_100009815848 [0,2,0,0,0,0|2,0,0]=4 17152 B15R1.11472 Cc1cc(c(cc1O)SCC(O)CO)F 62a_100011219619_100014242602 [0,2,0,0,0,0|1,1,0]=4 17153 B15R1.11472 Cc1cc(c(cc1O)SCC(O)CO)F 62a_100014242602_100011219619 [0,2,0,0,0,0|1,1,0]=4 17154 B15R1.11472 Cc1cc(c(cc1O)SC[C@@H](O)CO)F 62a_100009815848_100014242602 [0,2,0,0,0,0|1,1,0]=4 17155 B15R1.11472 Cc1cc(c(cc1O)SC[C@@H](O)CO)F 62a_100014242602_100009815848 [0,2,0,0,0,0|1,1,0]=4 17156 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)Br)F 34a_100014242602_100011219619 [0,2,0,0,0,0|0,1,0]=3 17157 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)Br)F 7a_100014242602_100011219619 [0,2,0,0,0,0|0,1,0]=3 17158 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)F)F 34a_100000728840_100011219619 [0,2,0,0,0,0|0,1,0]=3 17159 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)F)F 7a_100000728840_100011219619 [0,2,0,0,0,0|0,1,0]=3 17160 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)I)F 34a_100010080512_100011219619 [0,2,0,0,0,0|0,1,0]=3 17161 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)I)F 7a_100010080512_100011219619 [0,2,0,0,0,0|0,1,0]=3 17162 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)N)Cl 34a_100000092876_100011219619 [0,2,0,0,0,0|0,0,0]=2 17163 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)N)Cl 7a_100000092876_100011219619 [0,2,0,0,0,0|0,0,0]=2 17164 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)N)F 34a_100000117193_100011219619 [0,2,0,0,0,0|0,1,0]=3 17165 B15R1.11472 Cc1cc(c(cc1OCC(O)CO)N)F 7a_100000117193_100011219619 [0,2,0,0,0,0|0,1,0]=3 17166 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)Br)F 34a_100014242602_100000059175 [0,2,0,0,0,0|1,1,0]=4 17167 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)Br)F 7a_100014242602_100000059175 [0,2,0,0,0,0|1,1,0]=4 17168 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)F)F 34a_100000728840_100000059175 [0,2,0,0,0,0|1,1,0]=4 17169 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)F)F 7a_100000728840_100000059175 [0,2,0,0,0,0|1,1,0]=4 17170 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)I)F 34a_100010080512_100000059175 [0,2,0,0,0,0|1,1,0]=4 17171 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)I)F 7a_100010080512_100000059175 [0,2,0,0,0,0|1,1,0]=4 17172 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)N)Cl 34a_100000092876_100000059175 [0,2,0,0,0,0|1,0,0]=3 17173 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)N)Cl 7a_100000092876_100000059175 [0,2,0,0,0,0|1,0,0]=3 17174 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)N)F 34a_100000117193_100000059175 [0,2,0,0,0,0|1,1,0]=4 17175 B15R1.11472 Cc1cc(c(cc1OC[C@@H](C)CO)N)F 7a_100000117193_100000059175 [0,2,0,0,0,0|1,1,0]=4 17176 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)Br)F 34a_100014242602_100015614560 [0,2,0,0,0,0|1,1,0]=4 17177 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)Br)F 7a_100014242602_100015614560 [0,2,0,0,0,0|1,1,0]=4 17178 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)F)F 34a_100000728840_100015614560 [0,2,0,0,0,0|1,1,0]=4 17179 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)F)F 7a_100000728840_100015614560 [0,2,0,0,0,0|1,1,0]=4 17180 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)I)F 34a_100010080512_100015614560 [0,2,0,0,0,0|1,1,0]=4 17181 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)I)F 7a_100010080512_100015614560 [0,2,0,0,0,0|1,1,0]=4 17182 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)N)Cl 34a_100000092876_100015614560 [0,2,0,0,0,0|1,0,0]=3 17183 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)N)Cl 7a_100000092876_100015614560 [0,2,0,0,0,0|1,0,0]=3 17184 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)N)F 34a_100000117193_100015614560 [0,2,0,0,0,0|1,1,0]=4 17185 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CF)N)F 7a_100000117193_100015614560 [0,2,0,0,0,0|1,1,0]=4 17186 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)Br)F 34a_100014242602_100009815848 [0,2,0,0,0,0|0,1,0]=3 17187 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)Br)F 7a_100014242602_100009815848 [0,2,0,0,0,0|0,1,0]=3 17188 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)F)F 34a_100000728840_100009815848 [0,2,0,0,0,0|0,1,0]=3 17189 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)F)F 7a_100000728840_100009815848 [0,2,0,0,0,0|0,1,0]=3 17190 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)I)F 34a_100010080512_100009815848 [0,2,0,0,0,0|0,1,0]=3 17191 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)I)F 7a_100010080512_100009815848 [0,2,0,0,0,0|0,1,0]=3 17192 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)N)Cl 34a_100000092876_100009815848 [0,2,0,0,0,0|0,0,0]=2 17193 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)N)Cl 7a_100000092876_100009815848 [0,2,0,0,0,0|0,0,0]=2 17194 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)N)F 34a_100000117193_100009815848 [0,2,0,0,0,0|0,1,0]=3 17195 B15R1.11472 Cc1cc(c(cc1OC[C@@H](O)CO)N)F 7a_100000117193_100009815848 [0,2,0,0,0,0|0,1,0]=3 17196 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)Br)F 62a_100011216669_100011219619 [0,2,0,0,0,0|0,2,0]=4 17197 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)Br)F 62a_100011219619_100011216669 [0,2,0,0,0,0|0,2,0]=4 17198 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)Cl)Br 62a_100011219619_200009814780 [0,2,0,0,0,0|0,2,0]=4 17199 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)Cl)Br 62a_200009814780_100011219619 [0,2,0,0,0,0|0,2,0]=4 17200 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)Br 62a_100011219619_100011356895 [0,2,0,0,0,0|0,2,0]=4 17201 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)Br 62a_100011356895_100011219619 [0,2,0,0,0,0|0,2,0]=4 17202 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)F 62a_100009815990_100011219619 [0,2,0,0,0,0|0,2,0]=4 17203 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)F 62a_100011219619_100009815990 [0,2,0,0,0,0|0,2,0]=4 17204 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)N 62a_100000691575_100011219619 [0,2,0,0,0,0|1,1,0]=4 17205 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)N 62a_100011219619_100000691575 [0,2,0,0,0,0|1,1,0]=4 17206 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)O 62a_100011219619_100012355673 [0,2,0,0,0,0|1,1,0]=4 17207 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)F)O 62a_100012355673_100011219619 [0,2,0,0,0,0|1,1,0]=4 17208 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)N)F 62a_100011014115_100011219619 [0,2,0,0,0,0|0,2,0]=4 17209 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)N)F 62a_100011219619_100011014115 [0,2,0,0,0,0|0,2,0]=4 17210 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)N)N 62a_100010080480_100011219619 [0,2,0,0,0,0|1,1,0]=4 17211 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)N)N 62a_100011219619_100010080480 [0,2,0,0,0,0|1,1,0]=4 17212 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)N)O 62a_100011219619_200010235796 [0,2,0,0,0,0|1,1,0]=4 17213 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)N)O 62a_200010235796_100011219619 [0,2,0,0,0,0|1,1,0]=4 17214 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)O)F 62a_100010068922_100011219619 [0,2,0,0,0,0|0,2,0]=4 17215 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)O)F 62a_100011219619_100010068922 [0,2,0,0,0,0|0,2,0]=4 17216 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)O)N 62a_100011219619_200010107346 [0,2,0,0,0,0|1,1,0]=4 17217 B15R1.11472 Cc1cc(c(cc1SCC(O)CO)O)N 62a_200010107346_100011219619 [0,2,0,0,0,0|1,1,0]=4 17218 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)Br)F 62a_100009815848_100011216669 [0,2,0,0,0,0|0,2,0]=4 17219 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)Br)F 62a_100011216669_100009815848 [0,2,0,0,0,0|0,2,0]=4 17220 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)Cl)Br 62a_100009815848_200009814780 [0,2,0,0,0,0|0,2,0]=4 17221 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)Cl)Br 62a_200009814780_100009815848 [0,2,0,0,0,0|0,2,0]=4 17222 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)Br 62a_100009815848_100011356895 [0,2,0,0,0,0|0,2,0]=4 17223 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)Br 62a_100011356895_100009815848 [0,2,0,0,0,0|0,2,0]=4 17224 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)F 62a_100009815848_100009815990 [0,2,0,0,0,0|0,2,0]=4 17225 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)F 62a_100009815990_100009815848 [0,2,0,0,0,0|0,2,0]=4 17226 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)N 62a_100000691575_100009815848 [0,2,0,0,0,0|1,1,0]=4 17227 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)N 62a_100009815848_100000691575 [0,2,0,0,0,0|1,1,0]=4 17228 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)O 62a_100009815848_100012355673 [0,2,0,0,0,0|1,1,0]=4 17229 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)F)O 62a_100012355673_100009815848 [0,2,0,0,0,0|1,1,0]=4 17230 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)N)F 62a_100009815848_100011014115 [0,2,0,0,0,0|0,2,0]=4 17231 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)N)F 62a_100011014115_100009815848 [0,2,0,0,0,0|0,2,0]=4 17232 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)N)N 62a_100009815848_100010080480 [0,2,0,0,0,0|1,1,0]=4 17233 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)N)N 62a_100010080480_100009815848 [0,2,0,0,0,0|1,1,0]=4 17234 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)N)O 62a_100009815848_200010235796 [0,2,0,0,0,0|1,1,0]=4 17235 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)N)O 62a_200010235796_100009815848 [0,2,0,0,0,0|1,1,0]=4 17236 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)O)F 62a_100009815848_100010068922 [0,2,0,0,0,0|0,2,0]=4 17237 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)O)F 62a_100010068922_100009815848 [0,2,0,0,0,0|0,2,0]=4 17238 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)O)N 62a_100009815848_200010107346 [0,2,0,0,0,0|1,1,0]=4 17239 B15R1.11472 Cc1cc(c(cc1SC[C@@H](O)CO)O)N 62a_200010107346_100009815848 [0,2,0,0,0,0|1,1,0]=4 17240 B15R1.11472 Cc1nc(c(cc1Cl)Br)OCC(O)CO 34a_200010749519_100011219619 [0,2,0,0,0,0|1,0,0]=3 17241 B15R1.11472 Cc1nc(c(cc1Cl)Br)OC[C@@H](C)CO 34a_200010749519_100000059175 [0,2,0,0,0,0|2,0,0]=4 17242 B15R1.11472 Cc1nc(c(cc1Cl)Br)OC[C@@H](O)CF 34a_200010749519_100015614560 [0,2,0,0,0,0|2,0,0]=4 17243 B15R1.11472 Cc1nc(c(cc1Cl)Br)OC[C@@H](O)CO 34a_200010749519_100009815848 [0,2,0,0,0,0|1,0,0]=3 17244 B15R1.11472 Nc1cc(c(cc1Br)OCC(O)CO)Br 34a_100011080774_100011219619 [0,2,0,0,0,0|1,0,0]=3 17245 B15R1.11472 Nc1cc(c(cc1Br)OCC(O)CO)Br 7a_100011080774_100011219619 [0,2,0,0,0,0|1,0,0]=3 17246 B15R1.11472 Nc1cc(c(cc1Br)OC[C@@H](O)CF)Br 34a_100011080774_100015614560 [0,2,0,0,0,0|2,0,0]=4 17247 B15R1.11472 Nc1cc(c(cc1Br)OC[C@@H](O)CF)Br 7a_100011080774_100015614560 [0,2,0,0,0,0|2,0,0]=4 17248 B15R1.11472 Nc1cc(c(cc1Br)OC[C@@H](O)CO)Br 34a_100011080774_100009815848 [0,2,0,0,0,0|1,0,0]=3 17249 B15R1.11472 Nc1cc(c(cc1Br)OC[C@@H](O)CO)Br 7a_100011080774_100009815848 [0,2,0,0,0,0|1,0,0]=3 17250 B15R1.11472 Nc1cc(c(cc1Cl)Cl)OCC(O)CO 34a_100000037174_100011219619 [0,2,0,0,0,0|0,0,0]=2 17251 B15R1.11472 Nc1cc(c(cc1Cl)Cl)OCC(O)CO 7a_100000037174_100011219619 [0,2,0,0,0,0|0,0,0]=2 17252 B15R1.11472 Nc1cc(c(cc1Cl)Cl)OC[C@@H](O)CF 34a_100000037174_100015614560 [0,2,0,0,0,0|1,0,0]=3 17253 B15R1.11472 Nc1cc(c(cc1Cl)Cl)OC[C@@H](O)CF 7a_100000037174_100015614560 [0,2,0,0,0,0|1,0,0]=3 17254 B15R1.11472 Nc1cc(c(cc1Cl)Cl)OC[C@@H](O)CO 34a_100000037174_100009815848 [0,2,0,0,0,0|0,0,0]=2 17255 B15R1.11472 Nc1cc(c(cc1Cl)Cl)OC[C@@H](O)CO 7a_100000037174_100009815848 [0,2,0,0,0,0|0,0,0]=2 17256 B15R1.11472 Nc1cc(c(cc1Cl)Cl)SCC(O)CO 62a_100011219619_100016224655 [0,2,0,0,0,0|0,1,0]=3 17257 B15R1.11472 Nc1cc(c(cc1Cl)Cl)SCC(O)CO 62a_100016224655_100011219619 [0,2,0,0,0,0|0,1,0]=3 17258 B15R1.11472 Nc1cc(c(cc1Cl)Cl)SC[C@@H](O)CF 62a_100015614560_100016224655 [0,2,0,0,0,0|1,1,0]=4 17259 B15R1.11472 Nc1cc(c(cc1Cl)Cl)SC[C@@H](O)CF 62a_100016224655_100015614560 [0,2,0,0,0,0|1,1,0]=4 17260 B15R1.11472 Nc1cc(c(cc1Cl)Cl)SC[C@@H](O)CO 62a_100009815848_100016224655 [0,2,0,0,0,0|0,1,0]=3 17261 B15R1.11472 Nc1cc(c(cc1Cl)Cl)SC[C@@H](O)CO 62a_100016224655_100009815848 [0,2,0,0,0,0|0,1,0]=3 17262 B15R1.11472 Nc1cc(c(cc1Cl)OCC(O)CO)Cl 34a_100012000071_100011219619 [0,2,0,0,0,0|1,0,0]=3 17263 B15R1.11472 Nc1cc(c(cc1Cl)OCC(O)CO)Cl 7a_100012000071_100011219619 [0,2,0,0,0,0|1,0,0]=3 17264 B15R1.11472 Nc1cc(c(cc1Cl)OCC(O)CO)F 34a_100009886023_100011219619 [0,2,0,0,0,0|1,0,0]=3 17265 B15R1.11472 Nc1cc(c(cc1Cl)OCC(O)CO)F 7a_100009886023_100011219619 [0,2,0,0,0,0|1,0,0]=3 17266 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CF)Cl 34a_100012000071_100015614560 [0,2,0,0,0,0|2,0,0]=4 17267 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CF)Cl 7a_100012000071_100015614560 [0,2,0,0,0,0|2,0,0]=4 17268 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CF)F 34a_100009886023_100015614560 [0,2,0,0,0,0|2,0,0]=4 17269 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CF)F 7a_100009886023_100015614560 [0,2,0,0,0,0|2,0,0]=4 17270 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CO)Cl 34a_100012000071_100009815848 [0,2,0,0,0,0|1,0,0]=3 17271 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CO)Cl 7a_100012000071_100009815848 [0,2,0,0,0,0|1,0,0]=3 17272 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CO)F 34a_100009886023_100009815848 [0,2,0,0,0,0|1,0,0]=3 17273 B15R1.11472 Nc1cc(c(cc1Cl)OC[C@@H](O)CO)F 7a_100009886023_100009815848 [0,2,0,0,0,0|1,0,0]=3 17274 B15R1.11472 Nc1cc(c(cc1F)Cl)OCC(O)CO 34a_100000042052_100011219619 [0,2,0,0,0,0|0,1,0]=3 17275 B15R1.11472 Nc1cc(c(cc1F)Cl)OCC(O)CO 7a_100000042052_100011219619 [0,2,0,0,0,0|0,1,0]=3 17276 B15R1.11472 Nc1cc(c(cc1F)Cl)OC[C@@H](O)CF 34a_100000042052_100015614560 [0,2,0,0,0,0|1,1,0]=4 17277 B15R1.11472 Nc1cc(c(cc1F)Cl)OC[C@@H](O)CF 7a_100000042052_100015614560 [0,2,0,0,0,0|1,1,0]=4 17278 B15R1.11472 Nc1cc(c(cc1F)Cl)OC[C@@H](O)CO 34a_100000042052_100009815848 [0,2,0,0,0,0|0,1,0]=3 17279 B15R1.11472 Nc1cc(c(cc1F)Cl)OC[C@@H](O)CO 7a_100000042052_100009815848 [0,2,0,0,0,0|0,1,0]=3 17280 B15R1.11472 Nc1cc(c(cc1F)F)OCC(O)CO 34a_100011219470_100011219619 [0,2,0,0,0,0|0,1,0]=3 17281 B15R1.11472 Nc1cc(c(cc1F)F)OCC(O)CO 7a_100011219470_100011219619 [0,2,0,0,0,0|0,1,0]=3 17282 B15R1.11472 Nc1cc(c(cc1F)F)OC[C@@H](O)CF 34a_100011219470_100015614560 [0,2,0,0,0,0|1,1,0]=4 17283 B15R1.11472 Nc1cc(c(cc1F)F)OC[C@@H](O)CF 7a_100011219470_100015614560 [0,2,0,0,0,0|1,1,0]=4 17284 B15R1.11472 Nc1cc(c(cc1F)F)OC[C@@H](O)CO 34a_100011219470_100009815848 [0,2,0,0,0,0|0,1,0]=3 17285 B15R1.11472 Nc1cc(c(cc1F)F)OC[C@@H](O)CO 7a_100011219470_100009815848 [0,2,0,0,0,0|0,1,0]=3 17286 B15R1.11472 Nc1cc(c(cc1F)F)SCC(O)CO 62a_100000700208_100011219619 [0,2,0,0,0,0|0,2,0]=4 17287 B15R1.11472 Nc1cc(c(cc1F)F)SCC(O)CO 62a_100011219619_100000700208 [0,2,0,0,0,0|0,2,0]=4 17288 B15R1.11472 Nc1cc(c(cc1F)F)SC[C@@H](O)CO 62a_100000700208_100009815848 [0,2,0,0,0,0|0,2,0]=4 17289 B15R1.11472 Nc1cc(c(cc1F)F)SC[C@@H](O)CO 62a_100009815848_100000700208 [0,2,0,0,0,0|0,2,0]=4 17290 B15R1.11472 Nc1cc(c(cc1F)OCC(O)CO)F 34a_100020635945_100011219619 [0,2,0,0,0,0|1,0,0]=3 17291 B15R1.11472 Nc1cc(c(cc1F)OCC(O)CO)F 7a_100020635945_100011219619 [0,2,0,0,0,0|1,0,0]=3 17292 B15R1.11472 Nc1cc(c(cc1F)OC[C@@H](O)CF)F 34a_100020635945_100015614560 [0,2,0,0,0,0|2,0,0]=4 17293 B15R1.11472 Nc1cc(c(cc1F)OC[C@@H](O)CF)F 7a_100020635945_100015614560 [0,2,0,0,0,0|2,0,0]=4 17294 B15R1.11472 Nc1cc(c(cc1F)OC[C@@H](O)CO)F 34a_100020635945_100009815848 [0,2,0,0,0,0|1,0,0]=3 17295 B15R1.11472 Nc1cc(c(cc1F)OC[C@@H](O)CO)F 7a_100020635945_100009815848 [0,2,0,0,0,0|1,0,0]=3 17296 B15R1.11472 Nc1cc(c(cc1F)SCC(O)CO)F 62a_100000690247_100011219619 [0,2,0,0,0,0|1,1,0]=4 17297 B15R1.11472 Nc1cc(c(cc1F)SCC(O)CO)F 62a_100011219619_100000690247 [0,2,0,0,0,0|1,1,0]=4 17298 B15R1.11472 Nc1cc(c(cc1F)SCC(O)CO)N 62a_100011219619_200010115645 [0,2,0,0,0,0|1,1,0]=4 17299 B15R1.11472 Nc1cc(c(cc1F)SCC(O)CO)N 62a_200010115645_100011219619 [0,2,0,0,0,0|1,1,0]=4 17300 B15R1.11472 Nc1cc(c(cc1F)SC[C@@H](O)CO)F 62a_100000690247_100009815848 [0,2,0,0,0,0|1,1,0]=4 17301 B15R1.11472 Nc1cc(c(cc1F)SC[C@@H](O)CO)F 62a_100009815848_100000690247 [0,2,0,0,0,0|1,1,0]=4 17302 B15R1.11472 Nc1cc(c(cc1F)SC[C@@H](O)CO)N 62a_100009815848_200010115645 [0,2,0,0,0,0|1,1,0]=4 17303 B15R1.11472 Nc1cc(c(cc1F)SC[C@@H](O)CO)N 62a_200010115645_100009815848 [0,2,0,0,0,0|1,1,0]=4 17304 B15R1.11472 Nc1cc(c(cc1N)SCC(O)CO)F 62a_100000766667_100011219619 [0,2,0,0,0,0|1,1,0]=4 17305 B15R1.11472 Nc1cc(c(cc1N)SCC(O)CO)F 62a_100011219619_100000766667 [0,2,0,0,0,0|1,1,0]=4 17306 B15R1.11472 Nc1cc(c(cc1N)SC[C@@H](O)CO)F 62a_100000766667_100009815848 [0,2,0,0,0,0|1,1,0]=4 17307 B15R1.11472 Nc1cc(c(cc1N)SC[C@@H](O)CO)F 62a_100009815848_100000766667 [0,2,0,0,0,0|1,1,0]=4 17308 B15R1.11472 Nc1cc(c(cc1O)Cl)SCC(O)CO 62a_100011011175_100011219619 [0,2,0,0,0,0|1,1,0]=4 17309 B15R1.11472 Nc1cc(c(cc1O)Cl)SCC(O)CO 62a_100011219619_100011011175 [0,2,0,0,0,0|1,1,0]=4 17310 B15R1.11472 Nc1cc(c(cc1O)Cl)SC[C@@H](O)CO 62a_100009815848_100011011175 [0,2,0,0,0,0|1,1,0]=4 17311 B15R1.11472 Nc1cc(c(cc1O)Cl)SC[C@@H](O)CO 62a_100011011175_100009815848 [0,2,0,0,0,0|1,1,0]=4 17312 B15R1.11472 Nc1cc(c(cc1O)F)SCC(O)CO 62a_100011219619_100012359894 [0,2,0,0,0,0|1,1,0]=4 17313 B15R1.11472 Nc1cc(c(cc1O)F)SCC(O)CO 62a_100012359894_100011219619 [0,2,0,0,0,0|1,1,0]=4 17314 B15R1.11472 Nc1cc(c(cc1O)F)SC[C@@H](O)CO 62a_100009815848_100012359894 [0,2,0,0,0,0|1,1,0]=4 17315 B15R1.11472 Nc1cc(c(cc1O)F)SC[C@@H](O)CO 62a_100012359894_100009815848 [0,2,0,0,0,0|1,1,0]=4 17316 B15R1.11472 Nc1cc(c(cc1O)SCC(O)CO)F 62a_100011219619_100013038943 [0,2,0,0,0,0|1,1,0]=4 17317 B15R1.11472 Nc1cc(c(cc1O)SCC(O)CO)F 62a_100013038943_100011219619 [0,2,0,0,0,0|1,1,0]=4 17318 B15R1.11472 Nc1cc(c(cc1O)SC[C@@H](O)CO)F 62a_100009815848_100013038943 [0,2,0,0,0,0|1,1,0]=4 17319 B15R1.11472 Nc1cc(c(cc1O)SC[C@@H](O)CO)F 62a_100013038943_100009815848 [0,2,0,0,0,0|1,1,0]=4 17320 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Br)Br 34a_200010781931_100011219619 [0,2,0,0,0,0|0,1,0]=3 17321 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Br)Br 7a_200010781931_100011219619 [0,2,0,0,0,0|0,1,0]=3 17322 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Br)F 34a_100013038943_100011219619 [0,2,0,0,0,0|0,1,0]=3 17323 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Br)F 7a_100013038943_100011219619 [0,2,0,0,0,0|0,1,0]=3 17324 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Cl)Br 34a_100013488937_100011219619 [0,2,0,0,0,0|0,1,0]=3 17325 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Cl)Br 7a_100013488937_100011219619 [0,2,0,0,0,0|0,1,0]=3 17326 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Cl)Cl 34a_100000696747_100011219619 [0,2,0,0,0,0|0,0,0]=2 17327 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Cl)Cl 7a_100000696747_100011219619 [0,2,0,0,0,0|0,0,0]=2 17328 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Cl)I 34a_100011011175_100011219619 [0,2,0,0,0,0|0,1,0]=3 17329 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)Cl)I 7a_100011011175_100011219619 [0,2,0,0,0,0|0,1,0]=3 17330 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)F)Br 34a_100012359894_100011219619 [0,2,0,0,0,0|0,1,0]=3 17331 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)F)Br 7a_100012359894_100011219619 [0,2,0,0,0,0|0,1,0]=3 17332 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)F)F 34a_100011217416_100011219619 [0,2,0,0,0,0|0,1,0]=3 17333 B15R1.11472 Nc1cc(c(cc1OCC(O)CO)F)F 7a_100011217416_100011219619 [0,2,0,0,0,0|0,1,0]=3 17334 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Br)Br 34a_200010781931_100015614560 [0,2,0,0,0,0|1,1,0]=4 17335 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Br)Br 7a_200010781931_100015614560 [0,2,0,0,0,0|1,1,0]=4 17336 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Br)F 34a_100013038943_100015614560 [0,2,0,0,0,0|1,1,0]=4 17337 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Br)F 7a_100013038943_100015614560 [0,2,0,0,0,0|1,1,0]=4 17338 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Cl)Br 34a_100013488937_100015614560 [0,2,0,0,0,0|1,1,0]=4 17339 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Cl)Br 7a_100013488937_100015614560 [0,2,0,0,0,0|1,1,0]=4 17340 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Cl)Cl 34a_100000696747_100015614560 [0,2,0,0,0,0|1,0,0]=3 17341 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Cl)Cl 7a_100000696747_100015614560 [0,2,0,0,0,0|1,0,0]=3 17342 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Cl)I 34a_100011011175_100015614560 [0,2,0,0,0,0|1,1,0]=4 17343 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)Cl)I 7a_100011011175_100015614560 [0,2,0,0,0,0|1,1,0]=4 17344 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)F)Br 34a_100012359894_100015614560 [0,2,0,0,0,0|1,1,0]=4 17345 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)F)Br 7a_100012359894_100015614560 [0,2,0,0,0,0|1,1,0]=4 17346 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)F)F 34a_100011217416_100015614560 [0,2,0,0,0,0|1,1,0]=4 17347 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CF)F)F 7a_100011217416_100015614560 [0,2,0,0,0,0|1,1,0]=4 17348 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Br)Br 34a_200010781931_100009815848 [0,2,0,0,0,0|0,1,0]=3 17349 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Br)Br 7a_200010781931_100009815848 [0,2,0,0,0,0|0,1,0]=3 17350 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Br)F 34a_100013038943_100009815848 [0,2,0,0,0,0|0,1,0]=3 17351 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Br)F 7a_100013038943_100009815848 [0,2,0,0,0,0|0,1,0]=3 17352 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Cl)Br 34a_100013488937_100009815848 [0,2,0,0,0,0|0,1,0]=3 17353 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Cl)Br 7a_100013488937_100009815848 [0,2,0,0,0,0|0,1,0]=3 17354 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Cl)Cl 34a_100000696747_100009815848 [0,2,0,0,0,0|0,0,0]=2 17355 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Cl)Cl 7a_100000696747_100009815848 [0,2,0,0,0,0|0,0,0]=2 17356 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Cl)I 34a_100011011175_100009815848 [0,2,0,0,0,0|0,1,0]=3 17357 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)Cl)I 7a_100011011175_100009815848 [0,2,0,0,0,0|0,1,0]=3 17358 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)F)Br 34a_100012359894_100009815848 [0,2,0,0,0,0|0,1,0]=3 17359 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)F)Br 7a_100012359894_100009815848 [0,2,0,0,0,0|0,1,0]=3 17360 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)F)F 34a_100011217416_100009815848 [0,2,0,0,0,0|0,1,0]=3 17361 B15R1.11472 Nc1cc(c(cc1OC[C@@H](O)CO)F)F 7a_100011217416_100009815848 [0,2,0,0,0,0|0,1,0]=3 17362 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)Br)F 62a_100010888672_100011219619 [0,2,0,0,0,0|0,2,0]=4 17363 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)Br)F 62a_100011219619_100010888672 [0,2,0,0,0,0|0,2,0]=4 17364 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)Cl)Cl 62a_100011219619_200011093942 [0,2,0,0,0,0|0,1,0]=3 17365 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)Cl)Cl 62a_200011093942_100011219619 [0,2,0,0,0,0|0,1,0]=3 17366 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)Cl)F 62a_100010892166_100011219619 [0,2,0,0,0,0|0,2,0]=4 17367 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)Cl)F 62a_100011219619_100010892166 [0,2,0,0,0,0|0,2,0]=4 17368 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)F)Br 62a_100011219619_200021016574 [0,2,0,0,0,0|0,2,0]=4 17369 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)F)Br 62a_200021016574_100011219619 [0,2,0,0,0,0|0,2,0]=4 17370 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)F)Cl 62a_100011219619_200010992381 [0,2,0,0,0,0|0,1,0]=3 17371 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)F)Cl 62a_200010992381_100011219619 [0,2,0,0,0,0|0,1,0]=3 17372 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)F)F 62a_100000765032_100011219619 [0,2,0,0,0,0|0,2,0]=4 17373 B15R1.11472 Nc1cc(c(cc1SCC(O)CO)F)F 62a_100011219619_100000765032 [0,2,0,0,0,0|0,2,0]=4 17374 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CF)Cl)Cl 62a_100015614560_200011093942 [0,2,0,0,0,0|1,1,0]=4 17375 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CF)Cl)Cl 62a_200011093942_100015614560 [0,2,0,0,0,0|1,1,0]=4 17376 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CF)F)Cl 62a_100015614560_200010992381 [0,2,0,0,0,0|1,1,0]=4 17377 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CF)F)Cl 62a_200010992381_100015614560 [0,2,0,0,0,0|1,1,0]=4 17378 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)Br)F 62a_100009815848_100010888672 [0,2,0,0,0,0|0,2,0]=4 17379 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)Br)F 62a_100010888672_100009815848 [0,2,0,0,0,0|0,2,0]=4 17380 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)Cl)Cl 62a_100009815848_200011093942 [0,2,0,0,0,0|0,1,0]=3 17381 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)Cl)Cl 62a_200011093942_100009815848 [0,2,0,0,0,0|0,1,0]=3 17382 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)Cl)F 62a_100009815848_100010892166 [0,2,0,0,0,0|0,2,0]=4 17383 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)Cl)F 62a_100010892166_100009815848 [0,2,0,0,0,0|0,2,0]=4 17384 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)F)Br 62a_100009815848_200021016574 [0,2,0,0,0,0|0,2,0]=4 17385 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)F)Br 62a_200021016574_100009815848 [0,2,0,0,0,0|0,2,0]=4 17386 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)F)Cl 62a_100009815848_200010992381 [0,2,0,0,0,0|0,1,0]=3 17387 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)F)Cl 62a_200010992381_100009815848 [0,2,0,0,0,0|0,1,0]=3 17388 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)F)F 62a_100000765032_100009815848 [0,2,0,0,0,0|0,2,0]=4 17389 B15R1.11472 Nc1cc(c(cc1SC[C@@H](O)CO)F)F 62a_100009815848_100000765032 [0,2,0,0,0,0|0,2,0]=4 17390 B15R1.11472 Nc1nc(c(cc1OCC(O)CO)Br)Cl 34a_100010136811_100011219619 [0,2,0,0,0,0|1,0,0]=3 17391 B15R1.11472 Nc1nc(c(cc1OCC(O)CO)Br)Cl 7a_100010136811_100011219619 [0,2,0,0,0,0|1,0,0]=3 17392 B15R1.11472 Nc1nc(c(cc1OC[C@@H](O)CF)Br)Cl 34a_100010136811_100015614560 [0,2,0,0,0,0|2,0,0]=4 17393 B15R1.11472 Nc1nc(c(cc1OC[C@@H](O)CF)Br)Cl 7a_100010136811_100015614560 [0,2,0,0,0,0|2,0,0]=4 17394 B15R1.11472 Nc1nc(c(cc1OC[C@@H](O)CO)Br)Cl 34a_100010136811_100009815848 [0,2,0,0,0,0|1,0,0]=3 17395 B15R1.11472 Nc1nc(c(cc1OC[C@@H](O)CO)Br)Cl 7a_100010136811_100009815848 [0,2,0,0,0,0|1,0,0]=3 17396 B15R1.11472 Nc1nc(c(cc1SCC(O)CO)Br)Cl 62a_100010270345_100011219619 [0,2,0,0,0,0|1,1,0]=4 17397 B15R1.11472 Nc1nc(c(cc1SCC(O)CO)Br)Cl 62a_100011219619_100010270345 [0,2,0,0,0,0|1,1,0]=4 17398 B15R1.11472 Nc1nc(c(cc1SC[C@@H](O)CO)Br)Cl 62a_100009815848_100010270345 [0,2,0,0,0,0|1,1,0]=4 17399 B15R1.11472 Nc1nc(c(cc1SC[C@@H](O)CO)Br)Cl 62a_100010270345_100009815848 [0,2,0,0,0,0|1,1,0]=4 17400 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)Br)Br 34a_100009998182_100011219619 [0,2,0,0,0,0|1,1,0]=4 17401 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)Br)Br 7a_100009998182_100011219619 [0,2,0,0,0,0|1,1,0]=4 17402 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)Br)F 34a_100010212202_100011219619 [0,2,0,0,0,0|1,1,0]=4 17403 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)Br)F 7a_100010212202_100011219619 [0,2,0,0,0,0|1,1,0]=4 17404 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)Cl)F 34a_100010254744_100011219619 [0,2,0,0,0,0|1,0,0]=3 17405 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)Cl)F 7a_100010254744_100011219619 [0,2,0,0,0,0|1,0,0]=3 17406 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)F)Br 34a_100010131408_100011219619 [0,2,0,0,0,0|1,1,0]=4 17407 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)F)Br 7a_100010131408_100011219619 [0,2,0,0,0,0|1,1,0]=4 17408 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)F)Cl 34a_100009817155_100011219619 [0,2,0,0,0,0|1,1,0]=4 17409 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)F)Cl 7a_100009817155_100011219619 [0,2,0,0,0,0|1,1,0]=4 17410 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)F)F 34a_100000690790_100011219619 [0,2,0,0,0,0|1,1,0]=4 17411 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)F)F 7a_100000690790_100011219619 [0,2,0,0,0,0|1,1,0]=4 17412 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)O)Br 34a_100011080774_100011219619 [0,2,0,0,0,0|2,0,0]=4 17413 B15R1.11472 OCC(O)CNc1cc(c(cc1Br)O)Br 7a_100011080774_100011219619 [0,2,0,0,0,0|2,0,0]=4 17414 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Br)Cl 34a_100000246133_100011219619 [0,2,0,0,0,0|1,1,0]=4 17415 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Br)Cl 7a_100000246133_100011219619 [0,2,0,0,0,0|1,1,0]=4 17416 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Br)F 34a_100000688864_100011219619 [0,2,0,0,0,0|1,1,0]=4 17417 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Br)F 7a_100000688864_100011219619 [0,2,0,0,0,0|1,1,0]=4 17418 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100011219619 [0,2,0,0,0,0|1,0,0]=3 17419 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100011219619 [0,2,0,0,0,0|1,0,0]=3 17420 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100011219619 [0,2,0,0,0,0|1,0,0]=3 17421 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100011219619 [0,2,0,0,0,0|1,0,0]=3 17422 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100011219619 [0,2,0,0,0,0|1,0,0]=3 17423 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100011219619 [0,2,0,0,0,0|1,0,0]=3 17424 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100011219619 [0,2,0,0,0,0|1,0,0]=3 17425 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100011219619 [0,2,0,0,0,0|1,0,0]=3 17426 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100011219619 [0,2,0,0,0,0|1,0,0]=3 17427 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)F)Br 34a_100000685351_100011219619 [0,2,0,0,0,0|1,1,0]=4 17428 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)F)Br 7a_100000685351_100011219619 [0,2,0,0,0,0|1,1,0]=4 17429 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)F)Cl 34a_100000085081_100011219619 [0,2,0,0,0,0|1,1,0]=4 17430 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)F)Cl 7a_100000085081_100011219619 [0,2,0,0,0,0|1,1,0]=4 17431 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)F)F 34a_100000766337_100011219619 [0,2,0,0,0,0|1,1,0]=4 17432 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)F)F 7a_100000766337_100011219619 [0,2,0,0,0,0|1,1,0]=4 17433 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100011219619 [0,2,0,0,0,0|2,0,0]=4 17434 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)O)Cl 7a_100012000071_100011219619 [0,2,0,0,0,0|2,0,0]=4 17435 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)O)F 34a_100009886023_100011219619 [0,2,0,0,0,0|2,0,0]=4 17436 B15R1.11472 OCC(O)CNc1cc(c(cc1Cl)O)F 7a_100009886023_100011219619 [0,2,0,0,0,0|2,0,0]=4 17437 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Br)Br 34a_200010212207_100011219619 [0,2,0,0,0,0|1,1,0]=4 17438 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Br)Br 7a_200010212207_100011219619 [0,2,0,0,0,0|1,1,0]=4 17439 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Br)Cl 34a_100012356688_100011219619 [0,2,0,0,0,0|1,1,0]=4 17440 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Br)Cl 7a_100012356688_100011219619 [0,2,0,0,0,0|1,1,0]=4 17441 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Br)F 2230a_100000690247_100011219619 [0,2,0,0,0,0|1,1,0]=4 17442 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Br)F 34a_100000690247_100011219619 [0,2,0,0,0,0|1,1,0]=4 17443 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Br)F 7a_100000690247_100011219619 [0,2,0,0,0,0|1,1,0]=4 17444 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)Br 34a_100013023876_100011219619 [0,2,0,0,0,0|1,0,0]=3 17445 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)Br 7a_100013023876_100011219619 [0,2,0,0,0,0|1,0,0]=3 17446 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100011219619 [0,2,0,0,0,0|1,0,0]=3 17447 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100011219619 [0,2,0,0,0,0|1,0,0]=3 17448 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)F 34a_100011998097_100011219619 [0,2,0,0,0,0|1,0,0]=3 17449 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)F 7a_100011998097_100011219619 [0,2,0,0,0,0|1,0,0]=3 17450 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)O 34a_100000042052_100011219619 [0,2,0,0,0,0|1,0,0]=3 17451 B15R1.11472 OCC(O)CNc1cc(c(cc1F)Cl)O 7a_100000042052_100011219619 [0,2,0,0,0,0|1,0,0]=3 17452 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)Br 2230a_100000700208_100011219619 [0,2,0,0,0,0|1,1,0]=4 17453 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)Br 34a_100000700208_100011219619 [0,2,0,0,0,0|1,1,0]=4 17454 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)Br 7a_100000700208_100011219619 [0,2,0,0,0,0|1,1,0]=4 17455 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)Cl 2230a_100011998096_100011219619 [0,2,0,0,0,0|1,1,0]=4 17456 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)Cl 34a_100011998096_100011219619 [0,2,0,0,0,0|1,1,0]=4 17457 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)Cl 7a_100011998096_100011219619 [0,2,0,0,0,0|1,1,0]=4 17458 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)F 2230a_100000750162_100011219619 [0,2,0,0,0,0|1,1,0]=4 17459 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)F 34a_100000750162_100011219619 [0,2,0,0,0,0|1,1,0]=4 17460 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)F 7a_100000750162_100011219619 [0,2,0,0,0,0|1,1,0]=4 17461 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)O 34a_100011219470_100011219619 [0,2,0,0,0,0|1,1,0]=4 17462 B15R1.11472 OCC(O)CNc1cc(c(cc1F)F)O 7a_100011219470_100011219619 [0,2,0,0,0,0|1,1,0]=4 17463 B15R1.11472 OCC(O)CNc1cc(c(cc1F)I)F 34a_100010185194_100011219619 [0,2,0,0,0,0|1,1,0]=4 17464 B15R1.11472 OCC(O)CNc1cc(c(cc1F)I)F 7a_100010185194_100011219619 [0,2,0,0,0,0|1,1,0]=4 17465 B15R1.11472 OCC(O)CNc1cc(c(cc1F)O)F 34a_100020635945_100011219619 [0,2,0,0,0,0|2,0,0]=4 17466 B15R1.11472 OCC(O)CNc1cc(c(cc1F)O)F 7a_100020635945_100011219619 [0,2,0,0,0,0|2,0,0]=4 17467 B15R1.11472 OCC(O)CNc1cc(c(cc1I)Br)F 34a_100010888672_100011219619 [0,2,0,0,0,0|1,1,0]=4 17468 B15R1.11472 OCC(O)CNc1cc(c(cc1I)Br)F 7a_100010888672_100011219619 [0,2,0,0,0,0|1,1,0]=4 17469 B15R1.11472 OCC(O)CNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100011219619 [0,2,0,0,0,0|1,0,0]=3 17470 B15R1.11472 OCC(O)CNc1cc(c(cc1I)Cl)F 34a_100010892166_100011219619 [0,2,0,0,0,0|1,0,0]=3 17471 B15R1.11472 OCC(O)CNc1cc(c(cc1I)Cl)F 7a_100010892166_100011219619 [0,2,0,0,0,0|1,0,0]=3 17472 B15R1.11472 OCC(O)CNc1cc(c(cc1I)F)Br 34a_200021016574_100011219619 [0,2,0,0,0,0|1,1,0]=4 17473 B15R1.11472 OCC(O)CNc1cc(c(cc1I)F)Br 7a_200021016574_100011219619 [0,2,0,0,0,0|1,1,0]=4 17474 B15R1.11472 OCC(O)CNc1cc(c(cc1I)F)Cl 34a_200010992381_100011219619 [0,2,0,0,0,0|1,1,0]=4 17475 B15R1.11472 OCC(O)CNc1cc(c(cc1I)F)Cl 7a_200010992381_100011219619 [0,2,0,0,0,0|1,1,0]=4 17476 B15R1.11472 OCC(O)CNc1cc(c(cc1I)F)F 34a_100000765032_100011219619 [0,2,0,0,0,0|1,1,0]=4 17477 B15R1.11472 OCC(O)CNc1cc(c(cc1I)F)F 7a_100000765032_100011219619 [0,2,0,0,0,0|1,1,0]=4 17478 B15R1.11472 OCC(O)CNc1cc(c(cc1O)Br)Br 7a_200010781931_100011219619 [0,2,0,0,0,0|1,1,0]=4 17479 B15R1.11472 OCC(O)CNc1cc(c(cc1O)Br)F 34a_100013038943_100011219619 [0,2,0,0,0,0|1,1,0]=4 17480 B15R1.11472 OCC(O)CNc1cc(c(cc1O)Br)F 7a_100013038943_100011219619 [0,2,0,0,0,0|1,1,0]=4 17481 B15R1.11472 OCC(O)CNc1cc(c(cc1O)Cl)Br 34a_100013488937_100011219619 [0,2,0,0,0,0|1,0,0]=3 17482 B15R1.11472 OCC(O)CNc1cc(c(cc1O)Cl)Br 7a_100013488937_100011219619 [0,2,0,0,0,0|1,0,0]=3 17483 B15R1.11472 OCC(O)CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100011219619 [0,2,0,0,0,0|1,0,0]=3 17484 B15R1.11472 OCC(O)CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100011219619 [0,2,0,0,0,0|1,0,0]=3 17485 B15R1.11472 OCC(O)CNc1cc(c(cc1O)F)Br 34a_100012359894_100011219619 [0,2,0,0,0,0|1,1,0]=4 17486 B15R1.11472 OCC(O)CNc1cc(c(cc1O)F)Br 7a_100012359894_100011219619 [0,2,0,0,0,0|1,1,0]=4 17487 B15R1.11472 OCC(O)CNc1cc(c(cc1O)F)F 2230a_106722365970_100011219619 [0,2,0,0,0,0|1,1,0]=4 17488 B15R1.11472 OCC(O)CNc1cc(c(cc1O)F)F 34a_106722365970_100011219619 [0,2,0,0,0,0|1,1,0]=4 17489 B15R1.11472 OCC(O)CNc1cc(c(cc1O)F)F 7a_106722365970_100011219619 [0,2,0,0,0,0|1,1,0]=4 17490 B15R1.11472 OCC(O)COc1cc(c(cc1Br)F)F 34a_100009813768_100011219619 [0,2,0,0,0,0|0,1,0]=3 17491 B15R1.11472 OCC(O)COc1cc(c(cc1Br)F)F 7a_100009813768_100011219619 [0,2,0,0,0,0|0,1,0]=3 17492 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100011219619 [0,2,0,0,0,0|0,1,0]=3 17493 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100011219619 [0,2,0,0,0,0|0,1,0]=3 17494 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Br)F 34a_100000726166_100011219619 [0,2,0,0,0,0|0,1,0]=3 17495 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Br)F 7a_100000726166_100011219619 [0,2,0,0,0,0|0,1,0]=3 17496 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Br)I 34a_100021297947_100011219619 [0,2,0,0,0,0|0,1,0]=3 17497 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Br)I 7a_100021297947_100011219619 [0,2,0,0,0,0|0,1,0]=3 17498 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100011219619 [0,2,0,0,0,0|0,0,0]=2 17499 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100011219619 [0,2,0,0,0,0|0,0,0]=2 17500 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100011219619 [0,2,0,0,0,0|0,0,0]=2 17501 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100011219619 [0,2,0,0,0,0|0,0,0]=2 17502 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)F)Br 34a_100010189047_100011219619 [0,2,0,0,0,0|0,1,0]=3 17503 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)F)Br 7a_100010189047_100011219619 [0,2,0,0,0,0|0,1,0]=3 17504 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)F)F 34a_100009848785_100011219619 [0,2,0,0,0,0|0,1,0]=3 17505 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)F)F 7a_100009848785_100011219619 [0,2,0,0,0,0|0,1,0]=3 17506 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)F)I 34a_100010735246_100011219619 [0,2,0,0,0,0|0,1,0]=3 17507 B15R1.11472 OCC(O)COc1cc(c(cc1Cl)F)I 7a_100010735246_100011219619 [0,2,0,0,0,0|0,1,0]=3 17508 B15R1.11472 OCC(O)COc1cc(c(cc1F)Br)F 34a_100011830439_100011219619 [0,2,0,0,0,0|0,1,0]=3 17509 B15R1.11472 OCC(O)COc1cc(c(cc1F)Br)F 7a_100011830439_100011219619 [0,2,0,0,0,0|0,1,0]=3 17510 B15R1.11472 OCC(O)COc1cc(c(cc1F)F)Br 34a_100012457948_100011219619 [0,2,0,0,0,0|0,1,0]=3 17511 B15R1.11472 OCC(O)COc1cc(c(cc1F)F)Br 7a_100012457948_100011219619 [0,2,0,0,0,0|0,1,0]=3 17512 B15R1.11472 OCC(O)COc1cc(c(cc1F)F)F 34a_100000237555_100011219619 [0,2,0,0,0,0|0,1,0]=3 17513 B15R1.11472 OCC(O)COc1cc(c(cc1F)F)F 7a_100000237555_100011219619 [0,2,0,0,0,0|0,1,0]=3 17514 B15R1.11472 OCC(O)COc1cc(c(cc1F)F)I 34a_100015789030_100011219619 [0,2,0,0,0,0|0,1,0]=3 17515 B15R1.11472 OCC(O)COc1cc(c(cc1F)F)I 7a_100015789030_100011219619 [0,2,0,0,0,0|0,1,0]=3 17516 B15R1.11472 OCC(O)COc1cc(c(cc1I)F)F 34a_100010749349_100011219619 [0,2,0,0,0,0|0,1,0]=3 17517 B15R1.11472 OCC(O)COc1cc(c(cc1I)F)F 7a_100010749349_100011219619 [0,2,0,0,0,0|0,1,0]=3 17518 B15R1.11472 OCC(O)COc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100011219619 [0,2,0,0,0,0|1,0,0]=3 17519 B15R1.11472 OCC(O)COc1nc(c(cc1F)F)F 34a_100011934363_100011219619 [0,2,0,0,0,0|1,1,0]=4 17520 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Br)Br 62a_100010151546_100011219619 [0,2,0,0,0,0|0,2,0]=4 17521 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Br)Br 62a_100011219619_100010151546 [0,2,0,0,0,0|0,2,0]=4 17522 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Br)F 62a_100011219619_200010212206 [0,2,0,0,0,0|0,2,0]=4 17523 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Br)F 62a_200010212206_100011219619 [0,2,0,0,0,0|0,2,0]=4 17524 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Cl)F 62a_100010254745_100011219619 [0,2,0,0,0,0|0,1,0]=3 17525 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Cl)F 62a_100011219619_100010254745 [0,2,0,0,0,0|0,1,0]=3 17526 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Cl)O 62a_100011219619_100021297947 [0,2,0,0,0,0|0,1,0]=3 17527 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100011219619 [0,2,0,0,0,0|0,1,0]=3 17528 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)F)F 62a_100010259568_100011219619 [0,2,0,0,0,0|0,2,0]=4 17529 B15R1.11472 OCC(O)CSc1cc(c(cc1Br)F)F 62a_100011219619_100010259568 [0,2,0,0,0,0|0,2,0]=4 17530 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)Br)Cl 62a_100011219619_200010244590 [0,2,0,0,0,0|0,2,0]=4 17531 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100011219619 [0,2,0,0,0,0|0,2,0]=4 17532 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)Br)F 62a_100010212230_100011219619 [0,2,0,0,0,0|0,2,0]=4 17533 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)Br)F 62a_100011219619_100010212230 [0,2,0,0,0,0|0,2,0]=4 17534 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)Cl)Cl 62a_100011219619_200011216203 [0,2,0,0,0,0|0,1,0]=3 17535 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100011219619 [0,2,0,0,0,0|0,1,0]=3 17536 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)F)F 62a_100011219619_100012349977 [0,2,0,0,0,0|0,2,0]=4 17537 B15R1.11472 OCC(O)CSc1cc(c(cc1Cl)F)F 62a_100012349977_100011219619 [0,2,0,0,0,0|0,2,0]=4 17538 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Br)Br 62a_100011219619_200010212210 [0,2,0,0,0,0|0,2,0]=4 17539 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Br)Br 62a_200010212210_100011219619 [0,2,0,0,0,0|0,2,0]=4 17540 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Br)F 62a_100011219619_100011356857 [0,2,0,0,0,0|0,2,0]=4 17541 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Br)F 62a_100011356857_100011219619 [0,2,0,0,0,0|0,2,0]=4 17542 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Cl)F 62a_100010142863_100011219619 [0,2,0,0,0,0|0,1,0]=3 17543 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Cl)F 62a_100011219619_100010142863 [0,2,0,0,0,0|0,1,0]=3 17544 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Cl)O 62a_100010735246_100011219619 [0,2,0,0,0,0|0,1,0]=3 17545 B15R1.11472 OCC(O)CSc1cc(c(cc1F)Cl)O 62a_100011219619_100010735246 [0,2,0,0,0,0|0,1,0]=3 17546 B15R1.11472 OCC(O)CSc1cc(c(cc1F)F)Br 62a_100011219619_100011356914 [0,2,0,0,0,0|0,2,0]=4 17547 B15R1.11472 OCC(O)CSc1cc(c(cc1F)F)Br 62a_100011356914_100011219619 [0,2,0,0,0,0|0,2,0]=4 17548 B15R1.11472 OCC(O)CSc1cc(c(cc1F)F)F 62a_100011219619_100011756838 [0,2,0,0,0,0|0,2,0]=4 17549 B15R1.11472 OCC(O)CSc1cc(c(cc1F)F)F 62a_100011756838_100011219619 [0,2,0,0,0,0|0,2,0]=4 17550 B15R1.11472 OCC(O)CSc1cc(c(cc1F)F)O 62a_100011219619_100012457948 [0,2,0,0,0,0|0,2,0]=4 17551 B15R1.11472 OCC(O)CSc1cc(c(cc1F)F)O 62a_100012457948_100011219619 [0,2,0,0,0,0|0,2,0]=4 17552 B15R1.11472 OCC(O)CSc1cc(c(cc1F)O)F 62a_100011219619_100011830439 [0,2,0,0,0,0|1,1,0]=4 17553 B15R1.11472 OCC(O)CSc1cc(c(cc1F)O)F 62a_100011830439_100011219619 [0,2,0,0,0,0|1,1,0]=4 17554 B15R1.11472 OCC(O)CSc1cc(c(cc1O)F)F 62a_100009813768_100011219619 [0,2,0,0,0,0|0,2,0]=4 17555 B15R1.11472 OCC(O)CSc1cc(c(cc1O)F)F 62a_100011219619_100009813768 [0,2,0,0,0,0|0,2,0]=4 17556 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)Br)Br 34a_100009998182_100009815848 [0,2,0,0,0,0|1,1,0]=4 17557 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)Br)Br 7a_100009998182_100009815848 [0,2,0,0,0,0|1,1,0]=4 17558 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)Br)F 34a_100010212202_100009815848 [0,2,0,0,0,0|1,1,0]=4 17559 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)Br)F 7a_100010212202_100009815848 [0,2,0,0,0,0|1,1,0]=4 17560 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)Cl)F 34a_100010254744_100009815848 [0,2,0,0,0,0|1,0,0]=3 17561 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)Cl)F 7a_100010254744_100009815848 [0,2,0,0,0,0|1,0,0]=3 17562 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)F)Br 34a_100010131408_100009815848 [0,2,0,0,0,0|1,1,0]=4 17563 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)F)Br 7a_100010131408_100009815848 [0,2,0,0,0,0|1,1,0]=4 17564 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)F)Cl 34a_100009817155_100009815848 [0,2,0,0,0,0|1,1,0]=4 17565 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)F)Cl 7a_100009817155_100009815848 [0,2,0,0,0,0|1,1,0]=4 17566 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)F)F 34a_100000690790_100009815848 [0,2,0,0,0,0|1,1,0]=4 17567 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)F)F 7a_100000690790_100009815848 [0,2,0,0,0,0|1,1,0]=4 17568 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)O)Br 34a_100011080774_100009815848 [0,2,0,0,0,0|2,0,0]=4 17569 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Br)O)Br 7a_100011080774_100009815848 [0,2,0,0,0,0|2,0,0]=4 17570 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Br)Cl 34a_100000246133_100009815848 [0,2,0,0,0,0|1,1,0]=4 17571 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Br)Cl 7a_100000246133_100009815848 [0,2,0,0,0,0|1,1,0]=4 17572 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Br)F 34a_100000688864_100009815848 [0,2,0,0,0,0|1,1,0]=4 17573 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Br)F 7a_100000688864_100009815848 [0,2,0,0,0,0|1,1,0]=4 17574 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100009815848 [0,2,0,0,0,0|1,0,0]=3 17575 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100009815848 [0,2,0,0,0,0|1,0,0]=3 17576 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100009815848 [0,2,0,0,0,0|1,0,0]=3 17577 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100009815848 [0,2,0,0,0,0|1,0,0]=3 17578 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100009815848 [0,2,0,0,0,0|1,0,0]=3 17579 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100009815848 [0,2,0,0,0,0|1,0,0]=3 17580 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100009815848 [0,2,0,0,0,0|1,0,0]=3 17581 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100009815848 [0,2,0,0,0,0|1,0,0]=3 17582 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100009815848 [0,2,0,0,0,0|1,0,0]=3 17583 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)F)Br 34a_100000685351_100009815848 [0,2,0,0,0,0|1,1,0]=4 17584 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)F)Br 7a_100000685351_100009815848 [0,2,0,0,0,0|1,1,0]=4 17585 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)F)Cl 34a_100000085081_100009815848 [0,2,0,0,0,0|1,1,0]=4 17586 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)F)Cl 7a_100000085081_100009815848 [0,2,0,0,0,0|1,1,0]=4 17587 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)F)F 34a_100000766337_100009815848 [0,2,0,0,0,0|1,1,0]=4 17588 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)F)F 7a_100000766337_100009815848 [0,2,0,0,0,0|1,1,0]=4 17589 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100009815848 [0,2,0,0,0,0|2,0,0]=4 17590 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)O)Cl 7a_100012000071_100009815848 [0,2,0,0,0,0|2,0,0]=4 17591 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)O)F 34a_100009886023_100009815848 [0,2,0,0,0,0|2,0,0]=4 17592 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1Cl)O)F 7a_100009886023_100009815848 [0,2,0,0,0,0|2,0,0]=4 17593 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Br)Br 34a_200010212207_100009815848 [0,2,0,0,0,0|1,1,0]=4 17594 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Br)Br 7a_200010212207_100009815848 [0,2,0,0,0,0|1,1,0]=4 17595 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Br)Cl 34a_100012356688_100009815848 [0,2,0,0,0,0|1,1,0]=4 17596 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Br)Cl 7a_100012356688_100009815848 [0,2,0,0,0,0|1,1,0]=4 17597 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Br)F 2230a_100000690247_100009815848 [0,2,0,0,0,0|1,1,0]=4 17598 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Br)F 34a_100000690247_100009815848 [0,2,0,0,0,0|1,1,0]=4 17599 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Br)F 7a_100000690247_100009815848 [0,2,0,0,0,0|1,1,0]=4 17600 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)Br 34a_100013023876_100009815848 [0,2,0,0,0,0|1,0,0]=3 17601 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)Br 7a_100013023876_100009815848 [0,2,0,0,0,0|1,0,0]=3 17602 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100009815848 [0,2,0,0,0,0|1,0,0]=3 17603 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100009815848 [0,2,0,0,0,0|1,0,0]=3 17604 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)F 34a_100011998097_100009815848 [0,2,0,0,0,0|1,0,0]=3 17605 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)F 7a_100011998097_100009815848 [0,2,0,0,0,0|1,0,0]=3 17606 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)O 34a_100000042052_100009815848 [0,2,0,0,0,0|1,0,0]=3 17607 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)Cl)O 7a_100000042052_100009815848 [0,2,0,0,0,0|1,0,0]=3 17608 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)Br 2230a_100000700208_100009815848 [0,2,0,0,0,0|1,1,0]=4 17609 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)Br 34a_100000700208_100009815848 [0,2,0,0,0,0|1,1,0]=4 17610 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)Br 7a_100000700208_100009815848 [0,2,0,0,0,0|1,1,0]=4 17611 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)Cl 2230a_100011998096_100009815848 [0,2,0,0,0,0|1,1,0]=4 17612 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)Cl 34a_100011998096_100009815848 [0,2,0,0,0,0|1,1,0]=4 17613 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)Cl 7a_100011998096_100009815848 [0,2,0,0,0,0|1,1,0]=4 17614 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)F 2230a_100000750162_100009815848 [0,2,0,0,0,0|1,1,0]=4 17615 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)F 34a_100000750162_100009815848 [0,2,0,0,0,0|1,1,0]=4 17616 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)F 7a_100000750162_100009815848 [0,2,0,0,0,0|1,1,0]=4 17617 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)O 34a_100011219470_100009815848 [0,2,0,0,0,0|1,1,0]=4 17618 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)F)O 7a_100011219470_100009815848 [0,2,0,0,0,0|1,1,0]=4 17619 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)I)F 34a_100010185194_100009815848 [0,2,0,0,0,0|1,1,0]=4 17620 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)I)F 7a_100010185194_100009815848 [0,2,0,0,0,0|1,1,0]=4 17621 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)O)F 34a_100020635945_100009815848 [0,2,0,0,0,0|2,0,0]=4 17622 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1F)O)F 7a_100020635945_100009815848 [0,2,0,0,0,0|2,0,0]=4 17623 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)Br)F 34a_100010888672_100009815848 [0,2,0,0,0,0|1,1,0]=4 17624 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)Br)F 7a_100010888672_100009815848 [0,2,0,0,0,0|1,1,0]=4 17625 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100009815848 [0,2,0,0,0,0|1,0,0]=3 17626 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)Cl)F 34a_100010892166_100009815848 [0,2,0,0,0,0|1,0,0]=3 17627 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)Cl)F 7a_100010892166_100009815848 [0,2,0,0,0,0|1,0,0]=3 17628 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)F)Br 34a_200021016574_100009815848 [0,2,0,0,0,0|1,1,0]=4 17629 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)F)Br 7a_200021016574_100009815848 [0,2,0,0,0,0|1,1,0]=4 17630 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)F)Cl 34a_200010992381_100009815848 [0,2,0,0,0,0|1,1,0]=4 17631 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)F)Cl 7a_200010992381_100009815848 [0,2,0,0,0,0|1,1,0]=4 17632 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)F)F 34a_100000765032_100009815848 [0,2,0,0,0,0|1,1,0]=4 17633 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1I)F)F 7a_100000765032_100009815848 [0,2,0,0,0,0|1,1,0]=4 17634 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)Br)Br 7a_200010781931_100009815848 [0,2,0,0,0,0|1,1,0]=4 17635 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)Br)F 34a_100013038943_100009815848 [0,2,0,0,0,0|1,1,0]=4 17636 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)Br)F 7a_100013038943_100009815848 [0,2,0,0,0,0|1,1,0]=4 17637 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)Cl)Br 34a_100013488937_100009815848 [0,2,0,0,0,0|1,0,0]=3 17638 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)Cl)Br 7a_100013488937_100009815848 [0,2,0,0,0,0|1,0,0]=3 17639 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100009815848 [0,2,0,0,0,0|1,0,0]=3 17640 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100009815848 [0,2,0,0,0,0|1,0,0]=3 17641 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)F)Br 34a_100012359894_100009815848 [0,2,0,0,0,0|1,1,0]=4 17642 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)F)Br 7a_100012359894_100009815848 [0,2,0,0,0,0|1,1,0]=4 17643 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)F)F 2230a_106722365970_100009815848 [0,2,0,0,0,0|1,1,0]=4 17644 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)F)F 34a_106722365970_100009815848 [0,2,0,0,0,0|1,1,0]=4 17645 B15R1.11472 OC[C@H](O)CNc1cc(c(cc1O)F)F 7a_106722365970_100009815848 [0,2,0,0,0,0|1,1,0]=4 17646 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Br)F)F 34a_100009813768_100009815848 [0,2,0,0,0,0|0,1,0]=3 17647 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Br)F)F 7a_100009813768_100009815848 [0,2,0,0,0,0|0,1,0]=3 17648 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100009815848 [0,2,0,0,0,0|0,1,0]=3 17649 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100009815848 [0,2,0,0,0,0|0,1,0]=3 17650 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Br)F 34a_100000726166_100009815848 [0,2,0,0,0,0|0,1,0]=3 17651 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Br)F 7a_100000726166_100009815848 [0,2,0,0,0,0|0,1,0]=3 17652 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Br)I 34a_100021297947_100009815848 [0,2,0,0,0,0|0,1,0]=3 17653 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Br)I 7a_100021297947_100009815848 [0,2,0,0,0,0|0,1,0]=3 17654 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100009815848 [0,2,0,0,0,0|0,0,0]=2 17655 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100009815848 [0,2,0,0,0,0|0,0,0]=2 17656 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100009815848 [0,2,0,0,0,0|0,0,0]=2 17657 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100009815848 [0,2,0,0,0,0|0,0,0]=2 17658 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)F)Br 34a_100010189047_100009815848 [0,2,0,0,0,0|0,1,0]=3 17659 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)F)Br 7a_100010189047_100009815848 [0,2,0,0,0,0|0,1,0]=3 17660 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)F)F 34a_100009848785_100009815848 [0,2,0,0,0,0|0,1,0]=3 17661 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)F)F 7a_100009848785_100009815848 [0,2,0,0,0,0|0,1,0]=3 17662 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)F)I 34a_100010735246_100009815848 [0,2,0,0,0,0|0,1,0]=3 17663 B15R1.11472 OC[C@H](O)COc1cc(c(cc1Cl)F)I 7a_100010735246_100009815848 [0,2,0,0,0,0|0,1,0]=3 17664 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)Br)F 34a_100011830439_100009815848 [0,2,0,0,0,0|0,1,0]=3 17665 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)Br)F 7a_100011830439_100009815848 [0,2,0,0,0,0|0,1,0]=3 17666 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)F)Br 34a_100012457948_100009815848 [0,2,0,0,0,0|0,1,0]=3 17667 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)F)Br 7a_100012457948_100009815848 [0,2,0,0,0,0|0,1,0]=3 17668 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)F)F 34a_100000237555_100009815848 [0,2,0,0,0,0|0,1,0]=3 17669 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)F)F 7a_100000237555_100009815848 [0,2,0,0,0,0|0,1,0]=3 17670 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)F)I 34a_100015789030_100009815848 [0,2,0,0,0,0|0,1,0]=3 17671 B15R1.11472 OC[C@H](O)COc1cc(c(cc1F)F)I 7a_100015789030_100009815848 [0,2,0,0,0,0|0,1,0]=3 17672 B15R1.11472 OC[C@H](O)COc1cc(c(cc1I)F)F 34a_100010749349_100009815848 [0,2,0,0,0,0|0,1,0]=3 17673 B15R1.11472 OC[C@H](O)COc1cc(c(cc1I)F)F 7a_100010749349_100009815848 [0,2,0,0,0,0|0,1,0]=3 17674 B15R1.11472 OC[C@H](O)COc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100009815848 [0,2,0,0,0,0|1,0,0]=3 17675 B15R1.11472 OC[C@H](O)COc1nc(c(cc1F)F)F 34a_100011934363_100009815848 [0,2,0,0,0,0|1,1,0]=4 17676 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Br)Br 62a_100009815848_100010151546 [0,2,0,0,0,0|0,2,0]=4 17677 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Br)Br 62a_100010151546_100009815848 [0,2,0,0,0,0|0,2,0]=4 17678 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Br)F 62a_100009815848_200010212206 [0,2,0,0,0,0|0,2,0]=4 17679 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Br)F 62a_200010212206_100009815848 [0,2,0,0,0,0|0,2,0]=4 17680 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Cl)F 62a_100009815848_100010254745 [0,2,0,0,0,0|0,1,0]=3 17681 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Cl)F 62a_100010254745_100009815848 [0,2,0,0,0,0|0,1,0]=3 17682 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Cl)O 62a_100009815848_100021297947 [0,2,0,0,0,0|0,1,0]=3 17683 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100009815848 [0,2,0,0,0,0|0,1,0]=3 17684 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)F)F 62a_100009815848_100010259568 [0,2,0,0,0,0|0,2,0]=4 17685 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Br)F)F 62a_100010259568_100009815848 [0,2,0,0,0,0|0,2,0]=4 17686 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)Br)Cl 62a_100009815848_200010244590 [0,2,0,0,0,0|0,2,0]=4 17687 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)Br)Cl 62a_200010244590_100009815848 [0,2,0,0,0,0|0,2,0]=4 17688 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)Br)F 62a_100009815848_100010212230 [0,2,0,0,0,0|0,2,0]=4 17689 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)Br)F 62a_100010212230_100009815848 [0,2,0,0,0,0|0,2,0]=4 17690 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)Cl)Cl 62a_100009815848_200011216203 [0,2,0,0,0,0|0,1,0]=3 17691 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100009815848 [0,2,0,0,0,0|0,1,0]=3 17692 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)F)F 62a_100009815848_100012349977 [0,2,0,0,0,0|0,2,0]=4 17693 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1Cl)F)F 62a_100012349977_100009815848 [0,2,0,0,0,0|0,2,0]=4 17694 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Br)Br 62a_100009815848_200010212210 [0,2,0,0,0,0|0,2,0]=4 17695 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Br)Br 62a_200010212210_100009815848 [0,2,0,0,0,0|0,2,0]=4 17696 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Br)F 62a_100009815848_100011356857 [0,2,0,0,0,0|0,2,0]=4 17697 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Br)F 62a_100011356857_100009815848 [0,2,0,0,0,0|0,2,0]=4 17698 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Cl)F 62a_100009815848_100010142863 [0,2,0,0,0,0|0,1,0]=3 17699 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Cl)F 62a_100010142863_100009815848 [0,2,0,0,0,0|0,1,0]=3 17700 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Cl)O 62a_100009815848_100010735246 [0,2,0,0,0,0|0,1,0]=3 17701 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)Cl)O 62a_100010735246_100009815848 [0,2,0,0,0,0|0,1,0]=3 17702 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)F)Br 62a_100009815848_100011356914 [0,2,0,0,0,0|0,2,0]=4 17703 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)F)Br 62a_100011356914_100009815848 [0,2,0,0,0,0|0,2,0]=4 17704 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)F)F 62a_100009815848_100011756838 [0,2,0,0,0,0|0,2,0]=4 17705 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)F)F 62a_100011756838_100009815848 [0,2,0,0,0,0|0,2,0]=4 17706 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)F)O 62a_100009815848_100012457948 [0,2,0,0,0,0|0,2,0]=4 17707 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)F)O 62a_100012457948_100009815848 [0,2,0,0,0,0|0,2,0]=4 17708 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)O)F 62a_100009815848_100011830439 [0,2,0,0,0,0|1,1,0]=4 17709 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1F)O)F 62a_100011830439_100009815848 [0,2,0,0,0,0|1,1,0]=4 17710 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1O)F)F 62a_100009813768_100009815848 [0,2,0,0,0,0|0,2,0]=4 17711 B15R1.11472 OC[C@H](O)CSc1cc(c(cc1O)F)F 62a_100009815848_100009813768 [0,2,0,0,0,0|0,2,0]=4 17712 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Br)Cl)F 34a_100010254744_100015614560 [0,2,0,0,0,0|2,0,0]=4 17713 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Br)Cl)F 7a_100010254744_100015614560 [0,2,0,0,0,0|2,0,0]=4 17714 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Cl)Cl)Br 34a_200012360370_100015614560 [0,2,0,0,0,0|2,0,0]=4 17715 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Cl)Cl)Br 7a_200012360370_100015614560 [0,2,0,0,0,0|2,0,0]=4 17716 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Cl)Cl)Cl 34a_100000211015_100015614560 [0,2,0,0,0,0|2,0,0]=4 17717 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Cl)Cl)Cl 7a_100000211015_100015614560 [0,2,0,0,0,0|2,0,0]=4 17718 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Cl)Cl)F 34a_100012017157_100015614560 [0,2,0,0,0,0|2,0,0]=4 17719 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Cl)Cl)F 7a_100012017157_100015614560 [0,2,0,0,0,0|2,0,0]=4 17720 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1Cl)Cl)I 7a_100016224655_100015614560 [0,2,0,0,0,0|2,0,0]=4 17721 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1F)Cl)Br 34a_100013023876_100015614560 [0,2,0,0,0,0|2,0,0]=4 17722 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1F)Cl)Br 7a_100013023876_100015614560 [0,2,0,0,0,0|2,0,0]=4 17723 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1F)Cl)Cl 34a_100000724578_100015614560 [0,2,0,0,0,0|2,0,0]=4 17724 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1F)Cl)Cl 7a_100000724578_100015614560 [0,2,0,0,0,0|2,0,0]=4 17725 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1F)Cl)F 34a_100011998097_100015614560 [0,2,0,0,0,0|2,0,0]=4 17726 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1F)Cl)F 7a_100011998097_100015614560 [0,2,0,0,0,0|2,0,0]=4 17727 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1I)Cl)Cl 7a_200011093942_100015614560 [0,2,0,0,0,0|2,0,0]=4 17728 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1I)Cl)F 34a_100010892166_100015614560 [0,2,0,0,0,0|2,0,0]=4 17729 B15R1.11472 O[C@@H](CF)CNc1cc(c(cc1I)Cl)F 7a_100010892166_100015614560 [0,2,0,0,0,0|2,0,0]=4 17730 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Br)F)F 34a_100009813768_100015614560 [0,2,0,0,0,0|1,1,0]=4 17731 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Br)F)F 7a_100009813768_100015614560 [0,2,0,0,0,0|1,1,0]=4 17732 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100015614560 [0,2,0,0,0,0|1,1,0]=4 17733 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100015614560 [0,2,0,0,0,0|1,1,0]=4 17734 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Br)F 34a_100000726166_100015614560 [0,2,0,0,0,0|1,1,0]=4 17735 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Br)F 7a_100000726166_100015614560 [0,2,0,0,0,0|1,1,0]=4 17736 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Br)I 34a_100021297947_100015614560 [0,2,0,0,0,0|1,1,0]=4 17737 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Br)I 7a_100021297947_100015614560 [0,2,0,0,0,0|1,1,0]=4 17738 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100015614560 [0,2,0,0,0,0|1,0,0]=3 17739 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100015614560 [0,2,0,0,0,0|1,0,0]=3 17740 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100015614560 [0,2,0,0,0,0|1,0,0]=3 17741 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100015614560 [0,2,0,0,0,0|1,0,0]=3 17742 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)F)Br 34a_100010189047_100015614560 [0,2,0,0,0,0|1,1,0]=4 17743 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)F)Br 7a_100010189047_100015614560 [0,2,0,0,0,0|1,1,0]=4 17744 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)F)F 34a_100009848785_100015614560 [0,2,0,0,0,0|1,1,0]=4 17745 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)F)F 7a_100009848785_100015614560 [0,2,0,0,0,0|1,1,0]=4 17746 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)F)I 34a_100010735246_100015614560 [0,2,0,0,0,0|1,1,0]=4 17747 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1Cl)F)I 7a_100010735246_100015614560 [0,2,0,0,0,0|1,1,0]=4 17748 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)Br)F 34a_100011830439_100015614560 [0,2,0,0,0,0|1,1,0]=4 17749 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)Br)F 7a_100011830439_100015614560 [0,2,0,0,0,0|1,1,0]=4 17750 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)F)Br 34a_100012457948_100015614560 [0,2,0,0,0,0|1,1,0]=4 17751 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)F)Br 7a_100012457948_100015614560 [0,2,0,0,0,0|1,1,0]=4 17752 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)F)F 34a_100000237555_100015614560 [0,2,0,0,0,0|1,1,0]=4 17753 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)F)F 7a_100000237555_100015614560 [0,2,0,0,0,0|1,1,0]=4 17754 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)F)I 34a_100015789030_100015614560 [0,2,0,0,0,0|1,1,0]=4 17755 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1F)F)I 7a_100015789030_100015614560 [0,2,0,0,0,0|1,1,0]=4 17756 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1I)F)F 34a_100010749349_100015614560 [0,2,0,0,0,0|1,1,0]=4 17757 B15R1.11472 O[C@@H](CF)COc1cc(c(cc1I)F)F 7a_100010749349_100015614560 [0,2,0,0,0,0|1,1,0]=4 17758 B15R1.11472 O[C@@H](CF)COc1nc(c(cc1Cl)Cl)Cl 34a_100011933978_100015614560 [0,2,0,0,0,0|2,0,0]=4 17759 B15R1.11472 O[C@@H](CF)CSc1cc(c(cc1Br)Cl)F 62a_100010254745_100015614560 [0,2,0,0,0,0|1,1,0]=4 17760 B15R1.11472 O[C@@H](CF)CSc1cc(c(cc1Br)Cl)F 62a_100015614560_100010254745 [0,2,0,0,0,0|1,1,0]=4 17761 B15R1.11472 O[C@@H](CF)CSc1cc(c(cc1Cl)Cl)Cl 62a_100015614560_200011216203 [0,2,0,0,0,0|1,1,0]=4 17762 B15R1.11472 O[C@@H](CF)CSc1cc(c(cc1Cl)Cl)Cl 62a_200011216203_100015614560 [0,2,0,0,0,0|1,1,0]=4 17763 B15R1.11472 O[C@@H](CF)CSc1cc(c(cc1F)Cl)F 62a_100010142863_100015614560 [0,2,0,0,0,0|1,1,0]=4 17764 B15R1.11472 O[C@@H](CF)CSc1cc(c(cc1F)Cl)F 62a_100015614560_100010142863 [0,2,0,0,0,0|1,1,0]=4 17765 B15R1.11472 Oc1cc(c(cc1Cl)Br)SC[C@@H](O)CF 62a_100015614560_100021297947 [0,2,0,0,0,0|1,1,0]=4 17766 B15R1.11472 Oc1cc(c(cc1Cl)Br)SC[C@@H](O)CF 62a_100021297947_100015614560 [0,2,0,0,0,0|1,1,0]=4 17767 B15R1.11472 Oc1cc(c(cc1Cl)Cl)NC[C@@H](O)CF 34a_100000037174_100015614560 [0,2,0,0,0,0|2,0,0]=4 17768 B15R1.11472 Oc1cc(c(cc1Cl)Cl)NC[C@@H](O)CF 7a_100000037174_100015614560 [0,2,0,0,0,0|2,0,0]=4 17769 B15R1.11472 Oc1cc(c(cc1Cl)F)NC[C@@H](O)CF 34a_100000042052_100015614560 [0,2,0,0,0,0|2,0,0]=4 17770 B15R1.11472 Oc1cc(c(cc1Cl)F)NC[C@@H](O)CF 7a_100000042052_100015614560 [0,2,0,0,0,0|2,0,0]=4 17771 B15R1.11472 Oc1cc(c(cc1Cl)F)SC[C@@H](O)CF 62a_100010735246_100015614560 [0,2,0,0,0,0|1,1,0]=4 17772 B15R1.11472 Oc1cc(c(cc1Cl)F)SC[C@@H](O)CF 62a_100015614560_100010735246 [0,2,0,0,0,0|1,1,0]=4 17773 B15R1.11472 Oc1cc(c(cc1NC[C@@H](O)CF)Br)Cl 34a_100013488937_100015614560 [0,2,0,0,0,0|2,0,0]=4 17774 B15R1.11472 Oc1cc(c(cc1NC[C@@H](O)CF)Br)Cl 7a_100013488937_100015614560 [0,2,0,0,0,0|2,0,0]=4 17775 B15R1.11472 Oc1cc(c(cc1NC[C@@H](O)CF)Cl)Cl 34a_100000696747_100015614560 [0,2,0,0,0,0|2,0,0]=4 17776 B15R1.11472 Oc1cc(c(cc1NC[C@@H](O)CF)Cl)Cl 7a_100000696747_100015614560 [0,2,0,0,0,0|2,0,0]=4 17777 B15R1.11473 C=CC(O)COc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100000730141 [0,2,0,0,0,0|1,0,1]=4 17778 B15R1.11473 C=CC(O)COc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100000730141 [0,2,0,0,0,0|1,0,1]=4 17779 B15R1.11473 C=CC(O)COc1ccc(c(c1Cl)N)Cl 34a_100016988457_100000730141 [0,2,0,0,0,0|1,0,1]=4 17780 B15R1.11473 C=CC(O)COc1ccc(c(c1Cl)N)Cl 7a_100016988457_100000730141 [0,2,0,0,0,0|1,0,1]=4 17781 B15R1.11473 CCC(C)COc1ccc(c(c1Cl)N)Cl 34a_100016988457_100000748023 [0,2,0,0,0,0|2,0,0]=4 17782 B15R1.11473 CCC(C)COc1ccc(c(c1Cl)N)Cl 7a_100016988457_100000748023 [0,2,0,0,0,0|2,0,0]=4 17783 B15R1.11473 CCC(O)CNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100011218378 [0,2,0,0,0,0|2,0,0]=4 17784 B15R1.11473 CCC(O)CNc1ccc(c(c1C)Br)Cl 2230a_100016073598_100011218378 [0,2,0,0,0,0|2,0,0]=4 17785 B15R1.11473 CCC(O)CNc1ccc(c(c1C)Br)Cl 34a_100016073598_100011218378 [0,2,0,0,0,0|2,0,0]=4 17786 B15R1.11473 CCC(O)CNc1ccc(c(c1C)Br)Cl 7a_100016073598_100011218378 [0,2,0,0,0,0|2,0,0]=4 17787 B15R1.11473 CCC(O)CNc1ccc(c(c1C)Cl)Cl 2230a_114948340058_100011218378 [0,2,0,0,0,0|2,0,0]=4 17788 B15R1.11473 CCC(O)CNc1ccc(c(c1C)Cl)Cl 34a_114948340058_100011218378 [0,2,0,0,0,0|2,0,0]=4 17789 B15R1.11473 CCC(O)CNc1ccc(c(c1C)Cl)Cl 7a_114948340058_100011218378 [0,2,0,0,0,0|2,0,0]=4 17790 B15R1.11473 CCC(O)CNc1ccc(c(c1Cl)C)Cl 34a_100011935240_100011218378 [0,2,0,0,0,0|2,0,0]=4 17791 B15R1.11473 CCC(O)CNc1ccc(c(c1Cl)C)Cl 7a_100011935240_100011218378 [0,2,0,0,0,0|2,0,0]=4 17792 B15R1.11473 CCC(O)CNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100011218378 [0,2,0,0,0,0|2,0,0]=4 17793 B15R1.11473 CCC(O)CNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100011218378 [0,2,0,0,0,0|2,0,0]=4 17794 B15R1.11473 CCC(O)CNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100011218378 [0,2,0,0,0,0|2,0,0]=4 17795 B15R1.11473 CCC(O)CNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100011218378 [0,2,0,0,0,0|2,0,0]=4 17796 B15R1.11473 CCC(O)CNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100011218378 [0,2,0,0,0,0|2,0,0]=4 17797 B15R1.11473 CCC(O)CNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100011218378 [0,2,0,0,0,0|2,0,0]=4 17798 B15R1.11473 CCC(O)CNc1ccc(c(c1F)F)Cl 2230a_100000088996_100011218378 [0,2,0,0,0,0|2,0,0]=4 17799 B15R1.11473 CCC(O)CNc1ccc(c(c1F)F)Cl 34a_100000088996_100011218378 [0,2,0,0,0,0|2,0,0]=4 17800 B15R1.11473 CCC(O)CNc1ccc(c(c1F)F)Cl 7a_100000088996_100011218378 [0,2,0,0,0,0|2,0,0]=4 17801 B15R1.11473 CCC(O)CNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100011218378 [0,2,0,0,0,0|2,0,0]=4 17802 B15R1.11473 CCC(O)CNc1ccc(c(c1I)F)Cl 34a_100010134325_100011218378 [0,2,0,0,0,0|2,0,0]=4 17803 B15R1.11473 CCC(O)COc1ccc(c(c1C)Br)C 34a_100010659238_100011218378 [0,2,0,0,0,0|2,0,0]=4 17804 B15R1.11473 CCC(O)COc1ccc(c(c1C)Br)C 7a_100010659238_100011218378 [0,2,0,0,0,0|2,0,0]=4 17805 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)Br 34a_100012353674_100011218378 [0,2,0,0,0,0|1,1,0]=4 17806 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)Br 7a_100012353674_100011218378 [0,2,0,0,0,0|1,1,0]=4 17807 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)F 34a_100009847123_100011218378 [0,2,0,0,0,0|1,1,0]=4 17808 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)F 7a_100009847123_100011218378 [0,2,0,0,0,0|1,1,0]=4 17809 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)I 34a_100011356951_100011218378 [0,2,0,0,0,0|1,1,0]=4 17810 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)I 7a_100011356951_100011218378 [0,2,0,0,0,0|1,1,0]=4 17811 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)N 34a_200011216674_100011218378 [0,2,0,0,0,0|2,0,0]=4 17812 B15R1.11473 CCC(O)COc1ccc(c(c1C)C)N 7a_200011216674_100011218378 [0,2,0,0,0,0|2,0,0]=4 17813 B15R1.11473 CCC(O)COc1ccc(c(c1C)F)Br 34a_100010390934_100011218378 [0,2,0,0,0,0|1,1,0]=4 17814 B15R1.11473 CCC(O)COc1ccc(c(c1C)F)Br 7a_100010390934_100011218378 [0,2,0,0,0,0|1,1,0]=4 17815 B15R1.11473 CCC(O)COc1ccc(c(c1C)F)N 34a_200000126710_100011218378 [0,2,0,0,0,0|2,0,0]=4 17816 B15R1.11473 CCC(O)COc1ccc(c(c1C)F)N 7a_200000126710_100011218378 [0,2,0,0,0,0|2,0,0]=4 17817 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)C)Br 34a_100021574527_100011218378 [0,2,0,0,0,0|1,1,0]=4 17818 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)C)Br 7a_100021574527_100011218378 [0,2,0,0,0,0|1,1,0]=4 17819 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100011218378 [0,2,0,0,0,0|1,1,0]=4 17820 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100011218378 [0,2,0,0,0,0|1,1,0]=4 17821 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100011218378 [0,2,0,0,0,0|1,0,0]=3 17822 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100011218378 [0,2,0,0,0,0|1,0,0]=3 17823 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)Cl)N 34a_100012017499_100011218378 [0,2,0,0,0,0|2,0,0]=4 17824 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)Cl)N 7a_100012017499_100011218378 [0,2,0,0,0,0|2,0,0]=4 17825 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)F)Br 34a_100010245746_100011218378 [0,2,0,0,0,0|1,1,0]=4 17826 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)F)Br 7a_100010245746_100011218378 [0,2,0,0,0,0|1,1,0]=4 17827 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)F)N 34a_200000098347_100011218378 [0,2,0,0,0,0|2,0,0]=4 17828 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)F)N 7a_200000098347_100011218378 [0,2,0,0,0,0|2,0,0]=4 17829 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)N)Cl 34a_100016988457_100011218378 [0,2,0,0,0,0|1,0,0]=3 17830 B15R1.11473 CCC(O)COc1ccc(c(c1Cl)N)Cl 7a_100016988457_100011218378 [0,2,0,0,0,0|1,0,0]=3 17831 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)Br 34a_100011830415_100011218378 [0,2,0,0,0,0|1,1,0]=4 17832 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)Br 7a_100011830415_100011218378 [0,2,0,0,0,0|1,1,0]=4 17833 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)C 34a_100000036877_100011218378 [0,2,0,0,0,0|2,0,0]=4 17834 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)C 7a_100000036877_100011218378 [0,2,0,0,0,0|2,0,0]=4 17835 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)F 34a_100000230025_100011218378 [0,2,0,0,0,0|1,1,0]=4 17836 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)F 7a_100000230025_100011218378 [0,2,0,0,0,0|1,1,0]=4 17837 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)I 34a_200011356956_100011218378 [0,2,0,0,0,0|1,1,0]=4 17838 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)I 7a_200011356956_100011218378 [0,2,0,0,0,0|1,1,0]=4 17839 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)N 34a_100015204651_100011218378 [0,2,0,0,0,0|2,0,0]=4 17840 B15R1.11473 CCC(O)COc1ccc(c(c1F)F)N 7a_100015204651_100011218378 [0,2,0,0,0,0|2,0,0]=4 17841 B15R1.11473 CCC(O)COc1ccc(c(c1N)C)Br 34a_100013039247_100011218378 [0,2,0,0,0,0|1,1,0]=4 17842 B15R1.11473 CCC(O)COc1ccc(c(c1N)C)Br 7a_100013039247_100011218378 [0,2,0,0,0,0|1,1,0]=4 17843 B15R1.11473 CCC(O)COc1ncc(c(c1Br)C)Cl 34a_200010175591_100011218378 [0,2,0,0,0,0|2,0,0]=4 17844 B15R1.11473 CCC(O)COc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100011218378 [0,2,0,0,0,0|2,0,0]=4 17845 B15R1.11473 CCC(O)CSc1ccc(c(c1Cl)C)Cl 62a_100010730154_100011218378 [0,2,0,0,0,0|1,1,0]=4 17846 B15R1.11473 CCC(O)CSc1ccc(c(c1Cl)C)Cl 62a_100011218378_100010730154 [0,2,0,0,0,0|1,1,0]=4 17847 B15R1.11473 CC[C@H](C)COc1ccc(c(c1Cl)N)Cl 34a_100016988457_100009816398 [0,2,0,0,0,0|2,0,0]=4 17848 B15R1.11473 CC[C@H](C)COc1ccc(c(c1Cl)N)Cl 7a_100016988457_100009816398 [0,2,0,0,0,0|2,0,0]=4 17849 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100000059175 [0,2,0,0,0,0|2,0,0]=4 17850 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100000059175 [0,2,0,0,0,0|2,0,0]=4 17851 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100000059175 [0,2,0,0,0,0|2,0,0]=4 17852 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100000059175 [0,2,0,0,0,0|2,0,0]=4 17853 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100000059175 [0,2,0,0,0,0|2,0,0]=4 17854 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100000059175 [0,2,0,0,0,0|2,0,0]=4 17855 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100000059175 [0,2,0,0,0,0|2,0,0]=4 17856 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1F)F)Cl 2230a_100000088996_100000059175 [0,2,0,0,0,0|2,0,0]=4 17857 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1F)F)Cl 34a_100000088996_100000059175 [0,2,0,0,0,0|2,0,0]=4 17858 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1F)F)Cl 7a_100000088996_100000059175 [0,2,0,0,0,0|2,0,0]=4 17859 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100000059175 [0,2,0,0,0,0|2,0,0]=4 17860 B15R1.11473 C[C@@H](CO)CNc1ccc(c(c1I)F)Cl 34a_100010134325_100000059175 [0,2,0,0,0,0|2,0,0]=4 17861 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100000059175 [0,2,0,0,0,0|1,1,0]=4 17862 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100000059175 [0,2,0,0,0,0|1,1,0]=4 17863 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100000059175 [0,2,0,0,0,0|1,0,0]=3 17864 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100000059175 [0,2,0,0,0,0|1,0,0]=3 17865 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)Cl)N 34a_100012017499_100000059175 [0,2,0,0,0,0|2,0,0]=4 17866 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)Cl)N 7a_100012017499_100000059175 [0,2,0,0,0,0|2,0,0]=4 17867 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)F)Br 34a_100010245746_100000059175 [0,2,0,0,0,0|1,1,0]=4 17868 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)F)Br 7a_100010245746_100000059175 [0,2,0,0,0,0|1,1,0]=4 17869 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)F)N 34a_200000098347_100000059175 [0,2,0,0,0,0|2,0,0]=4 17870 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)F)N 7a_200000098347_100000059175 [0,2,0,0,0,0|2,0,0]=4 17871 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)N)Cl 34a_100016988457_100000059175 [0,2,0,0,0,0|1,0,0]=3 17872 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1Cl)N)Cl 7a_100016988457_100000059175 [0,2,0,0,0,0|1,0,0]=3 17873 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)Br 34a_100011830415_100000059175 [0,2,0,0,0,0|1,1,0]=4 17874 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)Br 7a_100011830415_100000059175 [0,2,0,0,0,0|1,1,0]=4 17875 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)F 34a_100000230025_100000059175 [0,2,0,0,0,0|1,1,0]=4 17876 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)F 7a_100000230025_100000059175 [0,2,0,0,0,0|1,1,0]=4 17877 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)I 34a_200011356956_100000059175 [0,2,0,0,0,0|1,1,0]=4 17878 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)I 7a_200011356956_100000059175 [0,2,0,0,0,0|1,1,0]=4 17879 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)N 34a_100015204651_100000059175 [0,2,0,0,0,0|2,0,0]=4 17880 B15R1.11473 C[C@@H](CO)COc1ccc(c(c1F)F)N 7a_100015204651_100000059175 [0,2,0,0,0,0|2,0,0]=4 17881 B15R1.11473 C[C@@H](CO)COc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100000059175 [0,2,0,0,0,0|2,0,0]=4 17882 B15R1.11473 Cc1c(ccc(c1Br)Br)NCC(O)CO 2230a_100010244494_100011219619 [0,2,0,0,0,0|1,1,0]=4 17883 B15R1.11473 Cc1c(ccc(c1Br)Br)NCC(O)CO 34a_100010244494_100011219619 [0,2,0,0,0,0|1,1,0]=4 17884 B15R1.11473 Cc1c(ccc(c1Br)Br)NCC(O)CO 7a_100010244494_100011219619 [0,2,0,0,0,0|1,1,0]=4 17885 B15R1.11473 Cc1c(ccc(c1Br)Br)NC[C@@H](O)CO 2230a_100010244494_100009815848 [0,2,0,0,0,0|1,1,0]=4 17886 B15R1.11473 Cc1c(ccc(c1Br)Br)NC[C@@H](O)CO 34a_100010244494_100009815848 [0,2,0,0,0,0|1,1,0]=4 17887 B15R1.11473 Cc1c(ccc(c1Br)Br)NC[C@@H](O)CO 7a_100010244494_100009815848 [0,2,0,0,0,0|1,1,0]=4 17888 B15R1.11473 Cc1c(ccc(c1Br)Cl)NCC(O)CO 2230a_100016073598_100011219619 [0,2,0,0,0,0|1,0,0]=3 17889 B15R1.11473 Cc1c(ccc(c1Br)Cl)NCC(O)CO 34a_100016073598_100011219619 [0,2,0,0,0,0|1,0,0]=3 17890 B15R1.11473 Cc1c(ccc(c1Br)Cl)NCC(O)CO 7a_100016073598_100011219619 [0,2,0,0,0,0|1,0,0]=3 17891 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](C)CO 2230a_100016073598_100000059175 [0,2,0,0,0,0|2,0,0]=4 17892 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](C)CO 34a_100016073598_100000059175 [0,2,0,0,0,0|2,0,0]=4 17893 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](C)CO 7a_100016073598_100000059175 [0,2,0,0,0,0|2,0,0]=4 17894 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](O)CF 2230a_100016073598_100015614560 [0,2,0,0,0,0|2,0,0]=4 17895 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](O)CF 34a_100016073598_100015614560 [0,2,0,0,0,0|2,0,0]=4 17896 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](O)CF 7a_100016073598_100015614560 [0,2,0,0,0,0|2,0,0]=4 17897 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](O)CO 2230a_100016073598_100009815848 [0,2,0,0,0,0|1,0,0]=3 17898 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](O)CO 34a_100016073598_100009815848 [0,2,0,0,0,0|1,0,0]=3 17899 B15R1.11473 Cc1c(ccc(c1Br)Cl)NC[C@@H](O)CO 7a_100016073598_100009815848 [0,2,0,0,0,0|1,0,0]=3 17900 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)Br 2230a_100009816967_100011219619 [0,2,0,0,0,0|1,1,0]=4 17901 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)Br 34a_100009816967_100011219619 [0,2,0,0,0,0|1,1,0]=4 17902 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)Br 7a_100009816967_100011219619 [0,2,0,0,0,0|1,1,0]=4 17903 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)F 2230a_100000062172_100011219619 [0,2,0,0,0,0|1,1,0]=4 17904 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)F 34a_100000062172_100011219619 [0,2,0,0,0,0|1,1,0]=4 17905 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)F 7a_100000062172_100011219619 [0,2,0,0,0,0|1,1,0]=4 17906 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)O 34a_200011216674_100011219619 [0,2,0,0,0,0|2,0,0]=4 17907 B15R1.11473 Cc1c(ccc(c1C)NCC(O)CO)O 7a_200011216674_100011219619 [0,2,0,0,0,0|2,0,0]=4 17908 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)Br 2230a_100009816967_100009815848 [0,2,0,0,0,0|1,1,0]=4 17909 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)Br 34a_100009816967_100009815848 [0,2,0,0,0,0|1,1,0]=4 17910 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)Br 7a_100009816967_100009815848 [0,2,0,0,0,0|1,1,0]=4 17911 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)F 2230a_100000062172_100009815848 [0,2,0,0,0,0|1,1,0]=4 17912 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)F 34a_100000062172_100009815848 [0,2,0,0,0,0|1,1,0]=4 17913 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)F 7a_100000062172_100009815848 [0,2,0,0,0,0|1,1,0]=4 17914 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)O 34a_200011216674_100009815848 [0,2,0,0,0,0|2,0,0]=4 17915 B15R1.11473 Cc1c(ccc(c1C)NC[C@@H](O)CO)O 7a_200011216674_100009815848 [0,2,0,0,0,0|2,0,0]=4 17916 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)Br 34a_100012353674_100011219619 [0,2,0,0,0,0|0,1,0]=3 17917 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)Br 7a_100012353674_100011219619 [0,2,0,0,0,0|0,1,0]=3 17918 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)F 34a_100009847123_100011219619 [0,2,0,0,0,0|0,1,0]=3 17919 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)F 7a_100009847123_100011219619 [0,2,0,0,0,0|0,1,0]=3 17920 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)I 34a_100011356951_100011219619 [0,2,0,0,0,0|0,1,0]=3 17921 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)I 7a_100011356951_100011219619 [0,2,0,0,0,0|0,1,0]=3 17922 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)N 34a_200011216674_100011219619 [0,2,0,0,0,0|1,0,0]=3 17923 B15R1.11473 Cc1c(ccc(c1C)OCC(O)CO)N 7a_200011216674_100011219619 [0,2,0,0,0,0|1,0,0]=3 17924 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)Br 34a_100012353674_100000059175 [0,2,0,0,0,0|1,1,0]=4 17925 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)Br 7a_100012353674_100000059175 [0,2,0,0,0,0|1,1,0]=4 17926 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)F 34a_100009847123_100000059175 [0,2,0,0,0,0|1,1,0]=4 17927 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)F 7a_100009847123_100000059175 [0,2,0,0,0,0|1,1,0]=4 17928 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)I 34a_100011356951_100000059175 [0,2,0,0,0,0|1,1,0]=4 17929 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)I 7a_100011356951_100000059175 [0,2,0,0,0,0|1,1,0]=4 17930 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)N 34a_200011216674_100000059175 [0,2,0,0,0,0|2,0,0]=4 17931 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](C)CO)N 7a_200011216674_100000059175 [0,2,0,0,0,0|2,0,0]=4 17932 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)Br 34a_100012353674_100015614560 [0,2,0,0,0,0|1,1,0]=4 17933 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)Br 7a_100012353674_100015614560 [0,2,0,0,0,0|1,1,0]=4 17934 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)F 34a_100009847123_100015614560 [0,2,0,0,0,0|1,1,0]=4 17935 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)F 7a_100009847123_100015614560 [0,2,0,0,0,0|1,1,0]=4 17936 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)I 34a_100011356951_100015614560 [0,2,0,0,0,0|1,1,0]=4 17937 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)I 7a_100011356951_100015614560 [0,2,0,0,0,0|1,1,0]=4 17938 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)N 34a_200011216674_100015614560 [0,2,0,0,0,0|2,0,0]=4 17939 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CF)N 7a_200011216674_100015614560 [0,2,0,0,0,0|2,0,0]=4 17940 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)Br 34a_100012353674_100009815848 [0,2,0,0,0,0|0,1,0]=3 17941 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)Br 7a_100012353674_100009815848 [0,2,0,0,0,0|0,1,0]=3 17942 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)F 34a_100009847123_100009815848 [0,2,0,0,0,0|0,1,0]=3 17943 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)F 7a_100009847123_100009815848 [0,2,0,0,0,0|0,1,0]=3 17944 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)I 34a_100011356951_100009815848 [0,2,0,0,0,0|0,1,0]=3 17945 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)I 7a_100011356951_100009815848 [0,2,0,0,0,0|0,1,0]=3 17946 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)N 34a_200011216674_100009815848 [0,2,0,0,0,0|1,0,0]=3 17947 B15R1.11473 Cc1c(ccc(c1C)OC[C@@H](O)CO)N 7a_200011216674_100009815848 [0,2,0,0,0,0|1,0,0]=3 17948 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)Br 62a_100011219619_200010185626 [0,2,0,0,0,0|0,2,0]=4 17949 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)Br 62a_200010185626_100011219619 [0,2,0,0,0,0|0,2,0]=4 17950 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)F 62a_100009816033_100011219619 [0,2,0,0,0,0|0,2,0]=4 17951 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)F 62a_100011219619_100009816033 [0,2,0,0,0,0|0,2,0]=4 17952 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)N 62a_100009816967_100011219619 [0,2,0,0,0,0|1,1,0]=4 17953 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)N 62a_100011219619_100009816967 [0,2,0,0,0,0|1,1,0]=4 17954 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)O 62a_100011219619_100012353674 [0,2,0,0,0,0|1,1,0]=4 17955 B15R1.11473 Cc1c(ccc(c1C)SCC(O)CO)O 62a_100012353674_100011219619 [0,2,0,0,0,0|1,1,0]=4 17956 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)Br 62a_100009815848_200010185626 [0,2,0,0,0,0|0,2,0]=4 17957 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)Br 62a_200010185626_100009815848 [0,2,0,0,0,0|0,2,0]=4 17958 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)F 62a_100009815848_100009816033 [0,2,0,0,0,0|0,2,0]=4 17959 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)F 62a_100009816033_100009815848 [0,2,0,0,0,0|0,2,0]=4 17960 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)N 62a_100009815848_100009816967 [0,2,0,0,0,0|1,1,0]=4 17961 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)N 62a_100009816967_100009815848 [0,2,0,0,0,0|1,1,0]=4 17962 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)O 62a_100009815848_100012353674 [0,2,0,0,0,0|1,1,0]=4 17963 B15R1.11473 Cc1c(ccc(c1C)SC[C@@H](O)CO)O 62a_100012353674_100009815848 [0,2,0,0,0,0|1,1,0]=4 17964 B15R1.11473 Cc1c(ccc(c1Cl)Br)NCC(O)CO 2230a_100009816872_100011219619 [0,2,0,0,0,0|1,1,0]=4 17965 B15R1.11473 Cc1c(ccc(c1Cl)Br)NCC(O)CO 34a_100009816872_100011219619 [0,2,0,0,0,0|1,1,0]=4 17966 B15R1.11473 Cc1c(ccc(c1Cl)Br)NCC(O)CO 7a_100009816872_100011219619 [0,2,0,0,0,0|1,1,0]=4 17967 B15R1.11473 Cc1c(ccc(c1Cl)Br)NC[C@@H](O)CO 2230a_100009816872_100009815848 [0,2,0,0,0,0|1,1,0]=4 17968 B15R1.11473 Cc1c(ccc(c1Cl)Br)NC[C@@H](O)CO 34a_100009816872_100009815848 [0,2,0,0,0,0|1,1,0]=4 17969 B15R1.11473 Cc1c(ccc(c1Cl)Br)NC[C@@H](O)CO 7a_100009816872_100009815848 [0,2,0,0,0,0|1,1,0]=4 17970 B15R1.11473 Cc1c(ccc(c1Cl)Br)SCC(O)CO 62a_100011219619_200010212245 [0,2,0,0,0,0|0,2,0]=4 17971 B15R1.11473 Cc1c(ccc(c1Cl)Br)SCC(O)CO 62a_200010212245_100011219619 [0,2,0,0,0,0|0,2,0]=4 17972 B15R1.11473 Cc1c(ccc(c1Cl)Br)SC[C@@H](O)CO 62a_100009815848_200010212245 [0,2,0,0,0,0|0,2,0]=4 17973 B15R1.11473 Cc1c(ccc(c1Cl)Br)SC[C@@H](O)CO 62a_200010212245_100009815848 [0,2,0,0,0,0|0,2,0]=4 17974 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NCC(O)CO 2230a_114948340058_100011219619 [0,2,0,0,0,0|1,0,0]=3 17975 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NCC(O)CO 34a_114948340058_100011219619 [0,2,0,0,0,0|1,0,0]=3 17976 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NCC(O)CO 7a_114948340058_100011219619 [0,2,0,0,0,0|1,0,0]=3 17977 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](C)CO 2230a_114948340058_100000059175 [0,2,0,0,0,0|2,0,0]=4 17978 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](C)CO 34a_114948340058_100000059175 [0,2,0,0,0,0|2,0,0]=4 17979 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](C)CO 7a_114948340058_100000059175 [0,2,0,0,0,0|2,0,0]=4 17980 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](O)CF 2230a_114948340058_100015614560 [0,2,0,0,0,0|2,0,0]=4 17981 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](O)CF 34a_114948340058_100015614560 [0,2,0,0,0,0|2,0,0]=4 17982 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](O)CF 7a_114948340058_100015614560 [0,2,0,0,0,0|2,0,0]=4 17983 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](O)CO 2230a_114948340058_100009815848 [0,2,0,0,0,0|1,0,0]=3 17984 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](O)CO 34a_114948340058_100009815848 [0,2,0,0,0,0|1,0,0]=3 17985 B15R1.11473 Cc1c(ccc(c1Cl)Cl)NC[C@@H](O)CO 7a_114948340058_100009815848 [0,2,0,0,0,0|1,0,0]=3 17986 B15R1.11473 Cc1c(ccc(c1Cl)NCC(O)CO)Cl 34a_100011935240_100011219619 [0,2,0,0,0,0|1,0,0]=3 17987 B15R1.11473 Cc1c(ccc(c1Cl)NCC(O)CO)Cl 7a_100011935240_100011219619 [0,2,0,0,0,0|1,0,0]=3 17988 B15R1.11473 Cc1c(ccc(c1Cl)NCC(O)CO)F 2230a_100009863382_100011219619 [0,2,0,0,0,0|1,1,0]=4 17989 B15R1.11473 Cc1c(ccc(c1Cl)NCC(O)CO)F 34a_100009863382_100011219619 [0,2,0,0,0,0|1,1,0]=4 17990 B15R1.11473 Cc1c(ccc(c1Cl)NCC(O)CO)F 7a_100009863382_100011219619 [0,2,0,0,0,0|1,1,0]=4 17991 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](C)CO)Cl 34a_100011935240_100000059175 [0,2,0,0,0,0|2,0,0]=4 17992 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](C)CO)Cl 7a_100011935240_100000059175 [0,2,0,0,0,0|2,0,0]=4 17993 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](O)CF)Cl 34a_100011935240_100015614560 [0,2,0,0,0,0|2,0,0]=4 17994 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](O)CF)Cl 7a_100011935240_100015614560 [0,2,0,0,0,0|2,0,0]=4 17995 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](O)CO)Cl 34a_100011935240_100009815848 [0,2,0,0,0,0|1,0,0]=3 17996 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](O)CO)Cl 7a_100011935240_100009815848 [0,2,0,0,0,0|1,0,0]=3 17997 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](O)CO)F 2230a_100009863382_100009815848 [0,2,0,0,0,0|1,1,0]=4 17998 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](O)CO)F 34a_100009863382_100009815848 [0,2,0,0,0,0|1,1,0]=4 17999 B15R1.11473 Cc1c(ccc(c1Cl)NC[C@@H](O)CO)F 7a_100009863382_100009815848 [0,2,0,0,0,0|1,1,0]=4 18000 B15R1.11473 Cc1c(ccc(c1Cl)OCC(O)CO)Br 34a_100021574527_100011219619 [0,2,0,0,0,0|0,1,0]=3 18001 B15R1.11473 Cc1c(ccc(c1Cl)OCC(O)CO)Br 7a_100021574527_100011219619 [0,2,0,0,0,0|0,1,0]=3 18002 B15R1.11473 Cc1c(ccc(c1Cl)OC[C@@H](C)CO)Br 34a_100021574527_100000059175 [0,2,0,0,0,0|1,1,0]=4 18003 B15R1.11473 Cc1c(ccc(c1Cl)OC[C@@H](C)CO)Br 7a_100021574527_100000059175 [0,2,0,0,0,0|1,1,0]=4 18004 B15R1.11473 Cc1c(ccc(c1Cl)OC[C@@H](O)CF)Br 34a_100021574527_100015614560 [0,2,0,0,0,0|1,1,0]=4 18005 B15R1.11473 Cc1c(ccc(c1Cl)OC[C@@H](O)CF)Br 7a_100021574527_100015614560 [0,2,0,0,0,0|1,1,0]=4 18006 B15R1.11473 Cc1c(ccc(c1Cl)OC[C@@H](O)CO)Br 34a_100021574527_100009815848 [0,2,0,0,0,0|0,1,0]=3 18007 B15R1.11473 Cc1c(ccc(c1Cl)OC[C@@H](O)CO)Br 7a_100021574527_100009815848 [0,2,0,0,0,0|0,1,0]=3 18008 B15R1.11473 Cc1c(ccc(c1Cl)SCC(O)CO)Br 62a_100011219619_100055076181 [0,2,0,0,0,0|0,2,0]=4 18009 B15R1.11473 Cc1c(ccc(c1Cl)SCC(O)CO)Br 62a_100055076181_100011219619 [0,2,0,0,0,0|0,2,0]=4 18010 B15R1.11473 Cc1c(ccc(c1Cl)SCC(O)CO)Cl 62a_100010730154_100011219619 [0,2,0,0,0,0|0,1,0]=3 18011 B15R1.11473 Cc1c(ccc(c1Cl)SCC(O)CO)Cl 62a_100011219619_100010730154 [0,2,0,0,0,0|0,1,0]=3 18012 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](C)CO)Cl 62a_100000059175_100010730154 [0,2,0,0,0,0|1,1,0]=4 18013 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](C)CO)Cl 62a_100010730154_100000059175 [0,2,0,0,0,0|1,1,0]=4 18014 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](O)CF)Cl 62a_100010730154_100015614560 [0,2,0,0,0,0|1,1,0]=4 18015 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](O)CF)Cl 62a_100015614560_100010730154 [0,2,0,0,0,0|1,1,0]=4 18016 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](O)CO)Br 62a_100009815848_100055076181 [0,2,0,0,0,0|0,2,0]=4 18017 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](O)CO)Br 62a_100055076181_100009815848 [0,2,0,0,0,0|0,2,0]=4 18018 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](O)CO)Cl 62a_100009815848_100010730154 [0,2,0,0,0,0|0,1,0]=3 18019 B15R1.11473 Cc1c(ccc(c1Cl)SC[C@@H](O)CO)Cl 62a_100010730154_100009815848 [0,2,0,0,0,0|0,1,0]=3 18020 B15R1.11473 Cc1c(ccc(c1F)Br)NCC(O)CO 2230a_100010208198_100011219619 [0,2,0,0,0,0|1,1,0]=4 18021 B15R1.11473 Cc1c(ccc(c1F)Br)NCC(O)CO 34a_100010208198_100011219619 [0,2,0,0,0,0|1,1,0]=4 18022 B15R1.11473 Cc1c(ccc(c1F)Br)NCC(O)CO 7a_100010208198_100011219619 [0,2,0,0,0,0|1,1,0]=4 18023 B15R1.11473 Cc1c(ccc(c1F)Br)NC[C@@H](O)CO 2230a_100010208198_100009815848 [0,2,0,0,0,0|1,1,0]=4 18024 B15R1.11473 Cc1c(ccc(c1F)Br)NC[C@@H](O)CO 34a_100010208198_100009815848 [0,2,0,0,0,0|1,1,0]=4 18025 B15R1.11473 Cc1c(ccc(c1F)Br)NC[C@@H](O)CO 7a_100010208198_100009815848 [0,2,0,0,0,0|1,1,0]=4 18026 B15R1.11473 Cc1c(ccc(c1F)Br)OCC(O)CO 34a_100010390934_100011219619 [0,2,0,0,0,0|0,1,0]=3 18027 B15R1.11473 Cc1c(ccc(c1F)Br)OCC(O)CO 7a_100010390934_100011219619 [0,2,0,0,0,0|0,1,0]=3 18028 B15R1.11473 Cc1c(ccc(c1F)Br)OC[C@@H](C)CO 34a_100010390934_100000059175 [0,2,0,0,0,0|1,1,0]=4 18029 B15R1.11473 Cc1c(ccc(c1F)Br)OC[C@@H](C)CO 7a_100010390934_100000059175 [0,2,0,0,0,0|1,1,0]=4 18030 B15R1.11473 Cc1c(ccc(c1F)Br)OC[C@@H](O)CF 34a_100010390934_100015614560 [0,2,0,0,0,0|1,1,0]=4 18031 B15R1.11473 Cc1c(ccc(c1F)Br)OC[C@@H](O)CF 7a_100010390934_100015614560 [0,2,0,0,0,0|1,1,0]=4 18032 B15R1.11473 Cc1c(ccc(c1F)Br)OC[C@@H](O)CO 34a_100010390934_100009815848 [0,2,0,0,0,0|0,1,0]=3 18033 B15R1.11473 Cc1c(ccc(c1F)Br)OC[C@@H](O)CO 7a_100010390934_100009815848 [0,2,0,0,0,0|0,1,0]=3 18034 B15R1.11473 Cc1c(ccc(c1F)Br)SCC(O)CO 62a_100010208201_100011219619 [0,2,0,0,0,0|0,2,0]=4 18035 B15R1.11473 Cc1c(ccc(c1F)Br)SCC(O)CO 62a_100011219619_100010208201 [0,2,0,0,0,0|0,2,0]=4 18036 B15R1.11473 Cc1c(ccc(c1F)Br)SC[C@@H](O)CO 62a_100009815848_100010208201 [0,2,0,0,0,0|0,2,0]=4 18037 B15R1.11473 Cc1c(ccc(c1F)Br)SC[C@@H](O)CO 62a_100010208201_100009815848 [0,2,0,0,0,0|0,2,0]=4 18038 B15R1.11473 Cc1c(ccc(c1F)F)SCC(O)CO 62a_100009815991_100011219619 [0,2,0,0,0,0|0,2,0]=4 18039 B15R1.11473 Cc1c(ccc(c1F)F)SCC(O)CO 62a_100011219619_100009815991 [0,2,0,0,0,0|0,2,0]=4 18040 B15R1.11473 Cc1c(ccc(c1F)F)SC[C@@H](O)CO 62a_100009815848_100009815991 [0,2,0,0,0,0|0,2,0]=4 18041 B15R1.11473 Cc1c(ccc(c1F)F)SC[C@@H](O)CO 62a_100009815991_100009815848 [0,2,0,0,0,0|0,2,0]=4 18042 B15R1.11473 Cc1c(ccc(c1F)I)NCC(O)CO 34a_100010291050_100011219619 [0,2,0,0,0,0|1,1,0]=4 18043 B15R1.11473 Cc1c(ccc(c1F)I)NCC(O)CO 7a_100010291050_100011219619 [0,2,0,0,0,0|1,1,0]=4 18044 B15R1.11473 Cc1c(ccc(c1F)I)NC[C@@H](O)CO 34a_100010291050_100009815848 [0,2,0,0,0,0|1,1,0]=4 18045 B15R1.11473 Cc1c(ccc(c1F)I)NC[C@@H](O)CO 7a_100010291050_100009815848 [0,2,0,0,0,0|1,1,0]=4 18046 B15R1.11473 Cc1c(ccc(c1F)N)OCC(O)CO 34a_200000126710_100011219619 [0,2,0,0,0,0|1,0,0]=3 18047 B15R1.11473 Cc1c(ccc(c1F)N)OCC(O)CO 7a_200000126710_100011219619 [0,2,0,0,0,0|1,0,0]=3 18048 B15R1.11473 Cc1c(ccc(c1F)N)OC[C@@H](C)CO 34a_200000126710_100000059175 [0,2,0,0,0,0|2,0,0]=4 18049 B15R1.11473 Cc1c(ccc(c1F)N)OC[C@@H](C)CO 7a_200000126710_100000059175 [0,2,0,0,0,0|2,0,0]=4 18050 B15R1.11473 Cc1c(ccc(c1F)N)OC[C@@H](O)CF 34a_200000126710_100015614560 [0,2,0,0,0,0|2,0,0]=4 18051 B15R1.11473 Cc1c(ccc(c1F)N)OC[C@@H](O)CF 7a_200000126710_100015614560 [0,2,0,0,0,0|2,0,0]=4 18052 B15R1.11473 Cc1c(ccc(c1F)N)OC[C@@H](O)CO 34a_200000126710_100009815848 [0,2,0,0,0,0|1,0,0]=3 18053 B15R1.11473 Cc1c(ccc(c1F)N)OC[C@@H](O)CO 7a_200000126710_100009815848 [0,2,0,0,0,0|1,0,0]=3 18054 B15R1.11473 Cc1c(ccc(c1F)N)SCC(O)CO 62a_100000722916_100011219619 [0,2,0,0,0,0|1,1,0]=4 18055 B15R1.11473 Cc1c(ccc(c1F)N)SCC(O)CO 62a_100011219619_100000722916 [0,2,0,0,0,0|1,1,0]=4 18056 B15R1.11473 Cc1c(ccc(c1F)N)SC[C@@H](O)CO 62a_100000722916_100009815848 [0,2,0,0,0,0|1,1,0]=4 18057 B15R1.11473 Cc1c(ccc(c1F)N)SC[C@@H](O)CO 62a_100009815848_100000722916 [0,2,0,0,0,0|1,1,0]=4 18058 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)Br 2230a_100000722916_100011219619 [0,2,0,0,0,0|1,1,0]=4 18059 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)Br 34a_100000722916_100011219619 [0,2,0,0,0,0|1,1,0]=4 18060 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)Br 7a_100000722916_100011219619 [0,2,0,0,0,0|1,1,0]=4 18061 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)F 2230a_102495366501_100011219619 [0,2,0,0,0,0|1,1,0]=4 18062 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)F 34a_102495366501_100011219619 [0,2,0,0,0,0|1,1,0]=4 18063 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)F 7a_102495366501_100011219619 [0,2,0,0,0,0|1,1,0]=4 18064 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)O 34a_200000126710_100011219619 [0,2,0,0,0,0|2,0,0]=4 18065 B15R1.11473 Cc1c(ccc(c1F)NCC(O)CO)O 7a_200000126710_100011219619 [0,2,0,0,0,0|2,0,0]=4 18066 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)Br 2230a_100000722916_100009815848 [0,2,0,0,0,0|1,1,0]=4 18067 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)Br 34a_100000722916_100009815848 [0,2,0,0,0,0|1,1,0]=4 18068 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)Br 7a_100000722916_100009815848 [0,2,0,0,0,0|1,1,0]=4 18069 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)F 2230a_102495366501_100009815848 [0,2,0,0,0,0|1,1,0]=4 18070 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)F 34a_102495366501_100009815848 [0,2,0,0,0,0|1,1,0]=4 18071 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)F 7a_102495366501_100009815848 [0,2,0,0,0,0|1,1,0]=4 18072 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)O 34a_200000126710_100009815848 [0,2,0,0,0,0|2,0,0]=4 18073 B15R1.11473 Cc1c(ccc(c1F)NC[C@@H](O)CO)O 7a_200000126710_100009815848 [0,2,0,0,0,0|2,0,0]=4 18074 B15R1.11473 Cc1c(ccc(c1F)SCC(O)CO)F 62a_100009815987_100011219619 [0,2,0,0,0,0|0,2,0]=4 18075 B15R1.11473 Cc1c(ccc(c1F)SCC(O)CO)F 62a_100011219619_100009815987 [0,2,0,0,0,0|0,2,0]=4 18076 B15R1.11473 Cc1c(ccc(c1F)SCC(O)CO)N 62a_100010208198_100011219619 [0,2,0,0,0,0|1,1,0]=4 18077 B15R1.11473 Cc1c(ccc(c1F)SCC(O)CO)N 62a_100011219619_100010208198 [0,2,0,0,0,0|1,1,0]=4 18078 B15R1.11473 Cc1c(ccc(c1F)SCC(O)CO)O 62a_100010390934_100011219619 [0,2,0,0,0,0|1,1,0]=4 18079 B15R1.11473 Cc1c(ccc(c1F)SCC(O)CO)O 62a_100011219619_100010390934 [0,2,0,0,0,0|1,1,0]=4 18080 B15R1.11473 Cc1c(ccc(c1F)SC[C@@H](O)CO)F 62a_100009815848_100009815987 [0,2,0,0,0,0|0,2,0]=4 18081 B15R1.11473 Cc1c(ccc(c1F)SC[C@@H](O)CO)F 62a_100009815987_100009815848 [0,2,0,0,0,0|0,2,0]=4 18082 B15R1.11473 Cc1c(ccc(c1F)SC[C@@H](O)CO)N 62a_100009815848_100010208198 [0,2,0,0,0,0|1,1,0]=4 18083 B15R1.11473 Cc1c(ccc(c1F)SC[C@@H](O)CO)N 62a_100010208198_100009815848 [0,2,0,0,0,0|1,1,0]=4 18084 B15R1.11473 Cc1c(ccc(c1F)SC[C@@H](O)CO)O 62a_100009815848_100010390934 [0,2,0,0,0,0|1,1,0]=4 18085 B15R1.11473 Cc1c(ccc(c1F)SC[C@@H](O)CO)O 62a_100010390934_100009815848 [0,2,0,0,0,0|1,1,0]=4 18086 B15R1.11473 Cc1c(ccc(c1N)F)SCC(O)CO 62a_100010588651_100011219619 [0,2,0,0,0,0|0,2,0]=4 18087 B15R1.11473 Cc1c(ccc(c1N)F)SCC(O)CO 62a_100011219619_100010588651 [0,2,0,0,0,0|0,2,0]=4 18088 B15R1.11473 Cc1c(ccc(c1N)F)SC[C@@H](O)CO 62a_100009815848_100010588651 [0,2,0,0,0,0|0,2,0]=4 18089 B15R1.11473 Cc1c(ccc(c1N)F)SC[C@@H](O)CO 62a_100010588651_100009815848 [0,2,0,0,0,0|0,2,0]=4 18090 B15R1.11473 Cc1c(ccc(c1N)N)SCC(O)CO 62a_100010009725_100011219619 [0,2,0,0,0,0|1,1,0]=4 18091 B15R1.11473 Cc1c(ccc(c1N)N)SC[C@@H](O)CO 62a_100010009725_100009815848 [0,2,0,0,0,0|1,1,0]=4 18092 B15R1.11473 Cc1c(ccc(c1N)O)SCC(O)CO 62a_100011219619_100013039247 [0,2,0,0,0,0|1,1,0]=4 18093 B15R1.11473 Cc1c(ccc(c1N)O)SCC(O)CO 62a_100013039247_100011219619 [0,2,0,0,0,0|1,1,0]=4 18094 B15R1.11473 Cc1c(ccc(c1N)O)SC[C@@H](O)CO 62a_100009815848_100013039247 [0,2,0,0,0,0|1,1,0]=4 18095 B15R1.11473 Cc1c(ccc(c1N)O)SC[C@@H](O)CO 62a_100013039247_100009815848 [0,2,0,0,0,0|1,1,0]=4 18096 B15R1.11473 Cc1c(ccc(c1N)OCC(O)CO)Br 34a_100013039247_100011219619 [0,2,0,0,0,0|0,1,0]=3 18097 B15R1.11473 Cc1c(ccc(c1N)OCC(O)CO)Br 7a_100013039247_100011219619 [0,2,0,0,0,0|0,1,0]=3 18098 B15R1.11473 Cc1c(ccc(c1N)OC[C@@H](C)CO)Br 34a_100013039247_100000059175 [0,2,0,0,0,0|1,1,0]=4 18099 B15R1.11473 Cc1c(ccc(c1N)OC[C@@H](C)CO)Br 7a_100013039247_100000059175 [0,2,0,0,0,0|1,1,0]=4 18100 B15R1.11473 Cc1c(ccc(c1N)OC[C@@H](O)CF)Br 34a_100013039247_100015614560 [0,2,0,0,0,0|1,1,0]=4 18101 B15R1.11473 Cc1c(ccc(c1N)OC[C@@H](O)CF)Br 7a_100013039247_100015614560 [0,2,0,0,0,0|1,1,0]=4 18102 B15R1.11473 Cc1c(ccc(c1N)OC[C@@H](O)CO)Br 34a_100013039247_100009815848 [0,2,0,0,0,0|0,1,0]=3 18103 B15R1.11473 Cc1c(ccc(c1N)OC[C@@H](O)CO)Br 7a_100013039247_100009815848 [0,2,0,0,0,0|0,1,0]=3 18104 B15R1.11473 Cc1c(ccc(c1N)SCC(O)CO)F 62a_100011009917_100011219619 [0,2,0,0,0,0|0,2,0]=4 18105 B15R1.11473 Cc1c(ccc(c1N)SCC(O)CO)F 62a_100011219619_100011009917 [0,2,0,0,0,0|0,2,0]=4 18106 B15R1.11473 Cc1c(ccc(c1N)SC[C@@H](O)CO)F 62a_100009815848_100011009917 [0,2,0,0,0,0|0,2,0]=4 18107 B15R1.11473 Cc1c(ccc(c1N)SC[C@@H](O)CO)F 62a_100011009917_100009815848 [0,2,0,0,0,0|0,2,0]=4 18108 B15R1.11473 Cc1c(ccc(c1O)SCC(O)CO)F 62a_100011219619_200010391124 [0,2,0,0,0,0|0,2,0]=4 18109 B15R1.11473 Cc1c(ccc(c1O)SCC(O)CO)F 62a_200010391124_100011219619 [0,2,0,0,0,0|0,2,0]=4 18110 B15R1.11473 Cc1c(ccc(c1O)SC[C@@H](O)CO)F 62a_100009815848_200010391124 [0,2,0,0,0,0|0,2,0]=4 18111 B15R1.11473 Cc1c(ccc(c1O)SC[C@@H](O)CO)F 62a_200010391124_100009815848 [0,2,0,0,0,0|0,2,0]=4 18112 B15R1.11473 Cc1c(cnc(c1Br)OCC(O)CO)Cl 34a_200010175591_100011219619 [0,2,0,0,0,0|1,0,0]=3 18113 B15R1.11473 Cc1c(cnc(c1Br)OC[C@@H](C)CO)Cl 34a_200010175591_100000059175 [0,2,0,0,0,0|2,0,0]=4 18114 B15R1.11473 Cc1c(cnc(c1Br)OC[C@@H](O)CF)Cl 34a_200010175591_100015614560 [0,2,0,0,0,0|2,0,0]=4 18115 B15R1.11473 Cc1c(cnc(c1Br)OC[C@@H](O)CO)Cl 34a_200010175591_100009815848 [0,2,0,0,0,0|1,0,0]=3 18116 B15R1.11473 Cc1c(cnc(c1C)OCC(O)CO)Br 34a_200011099879_100011219619 [0,2,0,0,0,0|1,1,0]=4 18117 B15R1.11473 Cc1c(cnc(c1C)OC[C@@H](O)CO)Br 34a_200011099879_100009815848 [0,2,0,0,0,0|1,1,0]=4 18118 B15R1.11473 Cc1ccc(c(c1Br)C)NCC(O)CO 2230a_106354213274_100011219619 [0,2,0,0,0,0|2,0,0]=4 18119 B15R1.11473 Cc1ccc(c(c1Br)C)NCC(O)CO 34a_106354213274_100011219619 [0,2,0,0,0,0|2,0,0]=4 18120 B15R1.11473 Cc1ccc(c(c1Br)C)NCC(O)CO 7a_106354213274_100011219619 [0,2,0,0,0,0|2,0,0]=4 18121 B15R1.11473 Cc1ccc(c(c1Br)C)NC[C@@H](O)CO 2230a_106354213274_100009815848 [0,2,0,0,0,0|2,0,0]=4 18122 B15R1.11473 Cc1ccc(c(c1Br)C)NC[C@@H](O)CO 34a_106354213274_100009815848 [0,2,0,0,0,0|2,0,0]=4 18123 B15R1.11473 Cc1ccc(c(c1Br)C)NC[C@@H](O)CO 7a_106354213274_100009815848 [0,2,0,0,0,0|2,0,0]=4 18124 B15R1.11473 Cc1ccc(c(c1Br)C)OCC(O)CO 34a_100010659238_100011219619 [0,2,0,0,0,0|1,0,0]=3 18125 B15R1.11473 Cc1ccc(c(c1Br)C)OCC(O)CO 7a_100010659238_100011219619 [0,2,0,0,0,0|1,0,0]=3 18126 B15R1.11473 Cc1ccc(c(c1Br)C)OC[C@@H](C)CO 34a_100010659238_100000059175 [0,2,0,0,0,0|2,0,0]=4 18127 B15R1.11473 Cc1ccc(c(c1Br)C)OC[C@@H](C)CO 7a_100010659238_100000059175 [0,2,0,0,0,0|2,0,0]=4 18128 B15R1.11473 Cc1ccc(c(c1Br)C)OC[C@@H](O)CF 34a_100010659238_100015614560 [0,2,0,0,0,0|2,0,0]=4 18129 B15R1.11473 Cc1ccc(c(c1Br)C)OC[C@@H](O)CF 7a_100010659238_100015614560 [0,2,0,0,0,0|2,0,0]=4 18130 B15R1.11473 Cc1ccc(c(c1Br)C)OC[C@@H](O)CO 34a_100010659238_100009815848 [0,2,0,0,0,0|1,0,0]=3 18131 B15R1.11473 Cc1ccc(c(c1Br)C)OC[C@@H](O)CO 7a_100010659238_100009815848 [0,2,0,0,0,0|1,0,0]=3 18132 B15R1.11473 Cc1ccc(c(c1C)C)NCC(O)CO 2230a_100000116900_100011219619 [0,2,0,0,0,0|2,0,0]=4 18133 B15R1.11473 Cc1ccc(c(c1C)C)NCC(O)CO 34a_100000116900_100011219619 [0,2,0,0,0,0|2,0,0]=4 18134 B15R1.11473 Cc1ccc(c(c1C)C)NCC(O)CO 7a_100000116900_100011219619 [0,2,0,0,0,0|2,0,0]=4 18135 B15R1.11473 Cc1ccc(c(c1C)C)NC[C@@H](O)CO 2230a_100000116900_100009815848 [0,2,0,0,0,0|2,0,0]=4 18136 B15R1.11473 Cc1ccc(c(c1C)C)NC[C@@H](O)CO 34a_100000116900_100009815848 [0,2,0,0,0,0|2,0,0]=4 18137 B15R1.11473 Cc1ccc(c(c1C)C)NC[C@@H](O)CO 7a_100000116900_100009815848 [0,2,0,0,0,0|2,0,0]=4 18138 B15R1.11473 Cc1ccc(c(c1C)F)SCC(O)CO 62a_100011219619_200015555822 [0,2,0,0,0,0|1,1,0]=4 18139 B15R1.11473 Cc1ccc(c(c1C)F)SCC(O)CO 62a_200015555822_100011219619 [0,2,0,0,0,0|1,1,0]=4 18140 B15R1.11473 Cc1ccc(c(c1C)F)SC[C@@H](O)CO 62a_100009815848_200015555822 [0,2,0,0,0,0|1,1,0]=4 18141 B15R1.11473 Cc1ccc(c(c1C)F)SC[C@@H](O)CO 62a_200015555822_100009815848 [0,2,0,0,0,0|1,1,0]=4 18142 B15R1.11473 Cc1ccc(c(c1Cl)C)NCC(O)CO 2230a_100009954856_100011219619 [0,2,0,0,0,0|2,0,0]=4 18143 B15R1.11473 Cc1ccc(c(c1Cl)C)NCC(O)CO 34a_100009954856_100011219619 [0,2,0,0,0,0|2,0,0]=4 18144 B15R1.11473 Cc1ccc(c(c1Cl)C)NCC(O)CO 7a_100009954856_100011219619 [0,2,0,0,0,0|2,0,0]=4 18145 B15R1.11473 Cc1ccc(c(c1Cl)C)NC[C@@H](O)CO 2230a_100009954856_100009815848 [0,2,0,0,0,0|2,0,0]=4 18146 B15R1.11473 Cc1ccc(c(c1Cl)C)NC[C@@H](O)CO 34a_100009954856_100009815848 [0,2,0,0,0,0|2,0,0]=4 18147 B15R1.11473 Cc1ccc(c(c1Cl)C)NC[C@@H](O)CO 7a_100009954856_100009815848 [0,2,0,0,0,0|2,0,0]=4 18148 B15R1.11473 Cc1ccc(c(c1F)F)NCC(O)CO 2230a_100000062217_100011219619 [0,2,0,0,0,0|2,0,0]=4 18149 B15R1.11473 Cc1ccc(c(c1F)F)NCC(O)CO 34a_100000062217_100011219619 [0,2,0,0,0,0|2,0,0]=4 18150 B15R1.11473 Cc1ccc(c(c1F)F)NCC(O)CO 7a_100000062217_100011219619 [0,2,0,0,0,0|2,0,0]=4 18151 B15R1.11473 Cc1ccc(c(c1F)F)NC[C@@H](O)CO 2230a_100000062217_100009815848 [0,2,0,0,0,0|2,0,0]=4 18152 B15R1.11473 Cc1ccc(c(c1F)F)NC[C@@H](O)CO 34a_100000062217_100009815848 [0,2,0,0,0,0|2,0,0]=4 18153 B15R1.11473 Cc1ccc(c(c1F)F)NC[C@@H](O)CO 7a_100000062217_100009815848 [0,2,0,0,0,0|2,0,0]=4 18154 B15R1.11473 Cc1ccc(c(c1F)F)OCC(O)CO 34a_100000036877_100011219619 [0,2,0,0,0,0|1,0,0]=3 18155 B15R1.11473 Cc1ccc(c(c1F)F)OCC(O)CO 7a_100000036877_100011219619 [0,2,0,0,0,0|1,0,0]=3 18156 B15R1.11473 Cc1ccc(c(c1F)F)OC[C@@H](C)CO 34a_100000036877_100000059175 [0,2,0,0,0,0|2,0,0]=4 18157 B15R1.11473 Cc1ccc(c(c1F)F)OC[C@@H](C)CO 7a_100000036877_100000059175 [0,2,0,0,0,0|2,0,0]=4 18158 B15R1.11473 Cc1ccc(c(c1F)F)OC[C@@H](O)CF 34a_100000036877_100015614560 [0,2,0,0,0,0|2,0,0]=4 18159 B15R1.11473 Cc1ccc(c(c1F)F)OC[C@@H](O)CF 7a_100000036877_100015614560 [0,2,0,0,0,0|2,0,0]=4 18160 B15R1.11473 Cc1ccc(c(c1F)F)OC[C@@H](O)CO 34a_100000036877_100009815848 [0,2,0,0,0,0|1,0,0]=3 18161 B15R1.11473 Cc1ccc(c(c1F)F)OC[C@@H](O)CO 7a_100000036877_100009815848 [0,2,0,0,0,0|1,0,0]=3 18162 B15R1.11473 Cc1ccc(c(c1F)F)SCC(O)CO 62a_100011219619_100012766498 [0,2,0,0,0,0|1,1,0]=4 18163 B15R1.11473 Cc1ccc(c(c1F)F)SCC(O)CO 62a_100012766498_100011219619 [0,2,0,0,0,0|1,1,0]=4 18164 B15R1.11473 Cc1ccc(c(c1F)F)SC[C@@H](O)CO 62a_100009815848_100012766498 [0,2,0,0,0,0|1,1,0]=4 18165 B15R1.11473 Cc1ccc(c(c1F)F)SC[C@@H](O)CO 62a_100012766498_100009815848 [0,2,0,0,0,0|1,1,0]=4 18166 B15R1.11473 Cc1ccc(c(c1F)O)SCC(O)CO 62a_100000722096_100011219619 [0,2,0,0,0,0|1,1,0]=4 18167 B15R1.11473 Cc1ccc(c(c1F)O)SCC(O)CO 62a_100011219619_100000722096 [0,2,0,0,0,0|1,1,0]=4 18168 B15R1.11473 Cc1ccc(c(c1F)O)SC[C@@H](O)CO 62a_100000722096_100009815848 [0,2,0,0,0,0|1,1,0]=4 18169 B15R1.11473 Cc1ccc(c(c1F)O)SC[C@@H](O)CO 62a_100009815848_100000722096 [0,2,0,0,0,0|1,1,0]=4 18170 B15R1.11473 Cc1ccc(c(c1I)C)NCC(O)CO 34a_100011170560_100011219619 [0,2,0,0,0,0|2,0,0]=4 18171 B15R1.11473 Cc1ccc(c(c1I)C)NCC(O)CO 7a_100011170560_100011219619 [0,2,0,0,0,0|2,0,0]=4 18172 B15R1.11473 Cc1ccc(c(c1I)C)NC[C@@H](O)CO 34a_100011170560_100009815848 [0,2,0,0,0,0|2,0,0]=4 18173 B15R1.11473 Cc1ccc(c(c1I)C)NC[C@@H](O)CO 7a_100011170560_100009815848 [0,2,0,0,0,0|2,0,0]=4 18174 B15R1.11473 Cc1ccc(c(c1N)C)SCC(O)CO 62a_100011219619_200010074581 [0,2,0,0,0,0|1,1,0]=4 18175 B15R1.11473 Cc1ccc(c(c1N)C)SCC(O)CO 62a_200010074581_100011219619 [0,2,0,0,0,0|1,1,0]=4 18176 B15R1.11473 Cc1ccc(c(c1N)C)SC[C@@H](O)CO 62a_100009815848_200010074581 [0,2,0,0,0,0|1,1,0]=4 18177 B15R1.11473 Cc1ccc(c(c1N)C)SC[C@@H](O)CO 62a_200010074581_100009815848 [0,2,0,0,0,0|1,1,0]=4 18178 B15R1.11473 Cc1ccc(c(c1O)Cl)NCC(O)CO 34a_100000036876_100011219619 [0,2,0,0,0,0|2,0,0]=4 18179 B15R1.11473 Cc1ccc(c(c1O)Cl)NCC(O)CO 7a_100000036876_100011219619 [0,2,0,0,0,0|2,0,0]=4 18180 B15R1.11473 Cc1ccc(c(c1O)Cl)NC[C@@H](O)CO 34a_100000036876_100009815848 [0,2,0,0,0,0|2,0,0]=4 18181 B15R1.11473 Cc1ccc(c(c1O)Cl)NC[C@@H](O)CO 7a_100000036876_100009815848 [0,2,0,0,0,0|2,0,0]=4 18182 B15R1.11473 Nc1c(ccc(c1Cl)OCC(O)CO)Cl 34a_100016988457_100011219619 [0,2,0,0,0,0|0,0,0]=2 18183 B15R1.11473 Nc1c(ccc(c1Cl)OCC(O)CO)Cl 7a_100016988457_100011219619 [0,2,0,0,0,0|0,0,0]=2 18184 B15R1.11473 Nc1c(ccc(c1Cl)OC[C@@H](O)CF)Cl 34a_100016988457_100015614560 [0,2,0,0,0,0|1,0,0]=3 18185 B15R1.11473 Nc1c(ccc(c1Cl)OC[C@@H](O)CF)Cl 7a_100016988457_100015614560 [0,2,0,0,0,0|1,0,0]=3 18186 B15R1.11473 Nc1c(ccc(c1Cl)OC[C@@H](O)CO)Cl 34a_100016988457_100009815848 [0,2,0,0,0,0|0,0,0]=2 18187 B15R1.11473 Nc1c(ccc(c1Cl)OC[C@@H](O)CO)Cl 7a_100016988457_100009815848 [0,2,0,0,0,0|0,0,0]=2 18188 B15R1.11473 Nc1c(ccc(c1F)F)SCC(O)CO 62a_100010008850_100011219619 [0,2,0,0,0,0|0,2,0]=4 18189 B15R1.11473 Nc1c(ccc(c1F)F)SCC(O)CO 62a_100011219619_100010008850 [0,2,0,0,0,0|0,2,0]=4 18190 B15R1.11473 Nc1c(ccc(c1F)F)SC[C@@H](O)CO 62a_100009815848_100010008850 [0,2,0,0,0,0|0,2,0]=4 18191 B15R1.11473 Nc1c(ccc(c1F)F)SC[C@@H](O)CO 62a_100010008850_100009815848 [0,2,0,0,0,0|0,2,0]=4 18192 B15R1.11473 Nc1c(ccc(c1F)SCC(O)CO)F 62a_100011219619_100025793129 [0,2,0,0,0,0|0,2,0]=4 18193 B15R1.11473 Nc1c(ccc(c1F)SCC(O)CO)F 62a_100025793129_100011219619 [0,2,0,0,0,0|0,2,0]=4 18194 B15R1.11473 Nc1c(ccc(c1F)SC[C@@H](O)CO)F 62a_100009815848_100025793129 [0,2,0,0,0,0|0,2,0]=4 18195 B15R1.11473 Nc1c(ccc(c1F)SC[C@@H](O)CO)F 62a_100025793129_100009815848 [0,2,0,0,0,0|0,2,0]=4 18196 B15R1.11473 Nc1c(ccc(c1N)SCC(O)CO)F 62a_100011102919_100011219619 [0,2,0,0,0,0|0,2,0]=4 18197 B15R1.11473 Nc1c(ccc(c1N)SC[C@@H](O)CO)F 62a_100011102919_100009815848 [0,2,0,0,0,0|0,2,0]=4 18198 B15R1.11473 Nc1c(ccc(c1O)Br)SCC(O)CO 62a_100020748643_100011219619 [0,2,0,0,0,0|0,2,0]=4 18199 B15R1.11473 Nc1c(ccc(c1O)Br)SC[C@@H](O)CO 62a_100020748643_100009815848 [0,2,0,0,0,0|0,2,0]=4 18200 B15R1.11473 Nc1c(cnc(c1F)Cl)SCC(O)CO 62a_100011219619_100135388890 [0,2,0,0,0,0|1,1,0]=4 18201 B15R1.11473 Nc1c(cnc(c1F)Cl)SCC(O)CO 62a_100135388890_100011219619 [0,2,0,0,0,0|1,1,0]=4 18202 B15R1.11473 Nc1c(cnc(c1F)Cl)SC[C@@H](O)CO 62a_100009815848_100135388890 [0,2,0,0,0,0|1,1,0]=4 18203 B15R1.11473 Nc1c(cnc(c1F)Cl)SC[C@@H](O)CO 62a_100135388890_100009815848 [0,2,0,0,0,0|1,1,0]=4 18204 B15R1.11473 Nc1ccc(c(c1Br)F)SCC(O)CO 62a_100011219619_100015781493 [0,2,0,0,0,0|1,1,0]=4 18205 B15R1.11473 Nc1ccc(c(c1Br)F)SCC(O)CO 62a_100015781493_100011219619 [0,2,0,0,0,0|1,1,0]=4 18206 B15R1.11473 Nc1ccc(c(c1Br)F)SC[C@@H](O)CO 62a_100009815848_100015781493 [0,2,0,0,0,0|1,1,0]=4 18207 B15R1.11473 Nc1ccc(c(c1Br)F)SC[C@@H](O)CO 62a_100015781493_100009815848 [0,2,0,0,0,0|1,1,0]=4 18208 B15R1.11473 Nc1ccc(c(c1Cl)Cl)OCC(O)CO 34a_100012017499_100011219619 [0,2,0,0,0,0|1,0,0]=3 18209 B15R1.11473 Nc1ccc(c(c1Cl)Cl)OCC(O)CO 7a_100012017499_100011219619 [0,2,0,0,0,0|1,0,0]=3 18210 B15R1.11473 Nc1ccc(c(c1Cl)Cl)OC[C@@H](O)CF 34a_100012017499_100015614560 [0,2,0,0,0,0|2,0,0]=4 18211 B15R1.11473 Nc1ccc(c(c1Cl)Cl)OC[C@@H](O)CF 7a_100012017499_100015614560 [0,2,0,0,0,0|2,0,0]=4 18212 B15R1.11473 Nc1ccc(c(c1Cl)Cl)OC[C@@H](O)CO 34a_100012017499_100009815848 [0,2,0,0,0,0|1,0,0]=3 18213 B15R1.11473 Nc1ccc(c(c1Cl)Cl)OC[C@@H](O)CO 7a_100012017499_100009815848 [0,2,0,0,0,0|1,0,0]=3 18214 B15R1.11473 Nc1ccc(c(c1F)Cl)OCC(O)CO 34a_200000098347_100011219619 [0,2,0,0,0,0|1,0,0]=3 18215 B15R1.11473 Nc1ccc(c(c1F)Cl)OCC(O)CO 7a_200000098347_100011219619 [0,2,0,0,0,0|1,0,0]=3 18216 B15R1.11473 Nc1ccc(c(c1F)Cl)OC[C@@H](O)CF 34a_200000098347_100015614560 [0,2,0,0,0,0|2,0,0]=4 18217 B15R1.11473 Nc1ccc(c(c1F)Cl)OC[C@@H](O)CF 7a_200000098347_100015614560 [0,2,0,0,0,0|2,0,0]=4 18218 B15R1.11473 Nc1ccc(c(c1F)Cl)OC[C@@H](O)CO 34a_200000098347_100009815848 [0,2,0,0,0,0|1,0,0]=3 18219 B15R1.11473 Nc1ccc(c(c1F)Cl)OC[C@@H](O)CO 7a_200000098347_100009815848 [0,2,0,0,0,0|1,0,0]=3 18220 B15R1.11473 Nc1ccc(c(c1F)F)OCC(O)CO 34a_100015204651_100011219619 [0,2,0,0,0,0|1,0,0]=3 18221 B15R1.11473 Nc1ccc(c(c1F)F)OCC(O)CO 7a_100015204651_100011219619 [0,2,0,0,0,0|1,0,0]=3 18222 B15R1.11473 Nc1ccc(c(c1F)F)OC[C@@H](O)CF 34a_100015204651_100015614560 [0,2,0,0,0,0|2,0,0]=4 18223 B15R1.11473 Nc1ccc(c(c1F)F)OC[C@@H](O)CF 7a_100015204651_100015614560 [0,2,0,0,0,0|2,0,0]=4 18224 B15R1.11473 Nc1ccc(c(c1F)F)OC[C@@H](O)CO 34a_100015204651_100009815848 [0,2,0,0,0,0|1,0,0]=3 18225 B15R1.11473 Nc1ccc(c(c1F)F)OC[C@@H](O)CO 7a_100015204651_100009815848 [0,2,0,0,0,0|1,0,0]=3 18226 B15R1.11473 Nc1ccc(c(c1F)F)SCC(O)CO 62a_100010200256_100011219619 [0,2,0,0,0,0|1,1,0]=4 18227 B15R1.11473 Nc1ccc(c(c1F)F)SCC(O)CO 62a_100011219619_100010200256 [0,2,0,0,0,0|1,1,0]=4 18228 B15R1.11473 Nc1ccc(c(c1F)F)SC[C@@H](O)CO 62a_100009815848_100010200256 [0,2,0,0,0,0|1,1,0]=4 18229 B15R1.11473 Nc1ccc(c(c1F)F)SC[C@@H](O)CO 62a_100010200256_100009815848 [0,2,0,0,0,0|1,1,0]=4 18230 B15R1.11473 Nc1ccc(c(c1N)F)SCC(O)CO 62a_100009814308_100011219619 [0,2,0,0,0,0|1,1,0]=4 18231 B15R1.11473 Nc1ccc(c(c1N)F)SC[C@@H](O)CO 62a_100009814308_100009815848 [0,2,0,0,0,0|1,1,0]=4 18232 B15R1.11473 OCC(O)CNc1ccc(c(c1Br)Br)Br 34a_100010151465_100011219619 [0,2,0,0,0,0|1,1,0]=4 18233 B15R1.11473 OCC(O)CNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100011219619 [0,2,0,0,0,0|1,0,0]=3 18234 B15R1.11473 OCC(O)CNc1ccc(c(c1Br)F)F 2230a_100010232473_100011219619 [0,2,0,0,0,0|1,1,0]=4 18235 B15R1.11473 OCC(O)CNc1ccc(c(c1Br)F)F 34a_100010232473_100011219619 [0,2,0,0,0,0|1,1,0]=4 18236 B15R1.11473 OCC(O)CNc1ccc(c(c1Br)F)F 7a_100010232473_100011219619 [0,2,0,0,0,0|1,1,0]=4 18237 B15R1.11473 OCC(O)CNc1ccc(c(c1Br)F)I 34a_100015781493_100011219619 [0,2,0,0,0,0|1,1,0]=4 18238 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)Cl)Br 34a_100000701039_100011219619 [0,2,0,0,0,0|1,1,0]=4 18239 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100011219619 [0,2,0,0,0,0|1,0,0]=3 18240 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100011219619 [0,2,0,0,0,0|1,1,0]=4 18241 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)Cl)F 34a_100000068956_100011219619 [0,2,0,0,0,0|1,1,0]=4 18242 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)Cl)F 7a_100000068956_100011219619 [0,2,0,0,0,0|1,1,0]=4 18243 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100011219619 [0,2,0,0,0,0|2,0,0]=4 18244 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)Cl)O 7a_100012017499_100011219619 [0,2,0,0,0,0|2,0,0]=4 18245 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)Br 2230a_100010109752_100011219619 [0,2,0,0,0,0|1,1,0]=4 18246 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)Br 34a_100010109752_100011219619 [0,2,0,0,0,0|1,1,0]=4 18247 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100011219619 [0,2,0,0,0,0|1,0,0]=3 18248 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100011219619 [0,2,0,0,0,0|1,0,0]=3 18249 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100011219619 [0,2,0,0,0,0|1,0,0]=3 18250 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)F 2230a_100000101296_100011219619 [0,2,0,0,0,0|1,1,0]=4 18251 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)F 34a_100000101296_100011219619 [0,2,0,0,0,0|1,1,0]=4 18252 B15R1.11473 OCC(O)CNc1ccc(c(c1Cl)F)F 7a_100000101296_100011219619 [0,2,0,0,0,0|1,1,0]=4 18253 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Br)F 2230a_100010070858_100011219619 [0,2,0,0,0,0|1,1,0]=4 18254 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Br)F 34a_100010070858_100011219619 [0,2,0,0,0,0|1,1,0]=4 18255 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Br)F 7a_100010070858_100011219619 [0,2,0,0,0,0|1,1,0]=4 18256 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)Br 2230a_100009813730_100011219619 [0,2,0,0,0,0|1,1,0]=4 18257 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)Br 34a_100009813730_100011219619 [0,2,0,0,0,0|1,1,0]=4 18258 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100011219619 [0,2,0,0,0,0|1,0,0]=3 18259 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100011219619 [0,2,0,0,0,0|1,0,0]=3 18260 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)F 2230a_100000038966_100011219619 [0,2,0,0,0,0|1,1,0]=4 18261 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)F 34a_100000038966_100011219619 [0,2,0,0,0,0|1,1,0]=4 18262 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)F 7a_100000038966_100011219619 [0,2,0,0,0,0|1,1,0]=4 18263 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)O 34a_200000098347_100011219619 [0,2,0,0,0,0|2,0,0]=4 18264 B15R1.11473 OCC(O)CNc1ccc(c(c1F)Cl)O 7a_200000098347_100011219619 [0,2,0,0,0,0|2,0,0]=4 18265 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)Br 2230a_100010200256_100011219619 [0,2,0,0,0,0|1,1,0]=4 18266 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)Br 34a_100010200256_100011219619 [0,2,0,0,0,0|1,1,0]=4 18267 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)Cl 2230a_100000088996_100011219619 [0,2,0,0,0,0|1,0,0]=3 18268 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)Cl 34a_100000088996_100011219619 [0,2,0,0,0,0|1,0,0]=3 18269 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)Cl 7a_100000088996_100011219619 [0,2,0,0,0,0|1,0,0]=3 18270 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)F 2230a_100000210235_100011219619 [0,2,0,0,0,0|1,1,0]=4 18271 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)F 34a_100000210235_100011219619 [0,2,0,0,0,0|1,1,0]=4 18272 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)F 7a_100000210235_100011219619 [0,2,0,0,0,0|1,1,0]=4 18273 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)I 34a_100010291506_100011219619 [0,2,0,0,0,0|1,1,0]=4 18274 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)I 7a_100010291506_100011219619 [0,2,0,0,0,0|1,1,0]=4 18275 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)O 34a_100015204651_100011219619 [0,2,0,0,0,0|2,0,0]=4 18276 B15R1.11473 OCC(O)CNc1ccc(c(c1F)F)O 7a_100015204651_100011219619 [0,2,0,0,0,0|2,0,0]=4 18277 B15R1.11473 OCC(O)CNc1ccc(c(c1F)I)F 34a_100015510717_100011219619 [0,2,0,0,0,0|1,1,0]=4 18278 B15R1.11473 OCC(O)CNc1ccc(c(c1I)Br)F 34a_100020765651_100011219619 [0,2,0,0,0,0|1,1,0]=4 18279 B15R1.11473 OCC(O)CNc1ccc(c(c1I)Cl)Br 34a_200010779962_100011219619 [0,2,0,0,0,0|1,1,0]=4 18280 B15R1.11473 OCC(O)CNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100011219619 [0,2,0,0,0,0|1,0,0]=3 18281 B15R1.11473 OCC(O)CNc1ccc(c(c1I)F)Cl 34a_100010134325_100011219619 [0,2,0,0,0,0|1,0,0]=3 18282 B15R1.11473 OCC(O)CNc1ccc(c(c1O)Br)F 34a_100010128263_100011219619 [0,2,0,0,0,0|1,1,0]=4 18283 B15R1.11473 OCC(O)CNc1ccc(c(c1O)F)F 34a_100015205010_100011219619 [0,2,0,0,0,0|1,1,0]=4 18284 B15R1.11473 OCC(O)COc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100011219619 [0,2,0,0,0,0|0,1,0]=3 18285 B15R1.11473 OCC(O)COc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100011219619 [0,2,0,0,0,0|0,1,0]=3 18286 B15R1.11473 OCC(O)COc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100011219619 [0,2,0,0,0,0|0,0,0]=2 18287 B15R1.11473 OCC(O)COc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100011219619 [0,2,0,0,0,0|0,0,0]=2 18288 B15R1.11473 OCC(O)COc1ccc(c(c1Cl)F)Br 34a_100010245746_100011219619 [0,2,0,0,0,0|0,1,0]=3 18289 B15R1.11473 OCC(O)COc1ccc(c(c1Cl)F)Br 7a_100010245746_100011219619 [0,2,0,0,0,0|0,1,0]=3 18290 B15R1.11473 OCC(O)COc1ccc(c(c1F)F)Br 34a_100011830415_100011219619 [0,2,0,0,0,0|0,1,0]=3 18291 B15R1.11473 OCC(O)COc1ccc(c(c1F)F)Br 7a_100011830415_100011219619 [0,2,0,0,0,0|0,1,0]=3 18292 B15R1.11473 OCC(O)COc1ccc(c(c1F)F)F 34a_100000230025_100011219619 [0,2,0,0,0,0|0,1,0]=3 18293 B15R1.11473 OCC(O)COc1ccc(c(c1F)F)F 7a_100000230025_100011219619 [0,2,0,0,0,0|0,1,0]=3 18294 B15R1.11473 OCC(O)COc1ccc(c(c1F)F)I 34a_200011356956_100011219619 [0,2,0,0,0,0|0,1,0]=3 18295 B15R1.11473 OCC(O)COc1ccc(c(c1F)F)I 7a_200011356956_100011219619 [0,2,0,0,0,0|0,1,0]=3 18296 B15R1.11473 OCC(O)COc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100011219619 [0,2,0,0,0,0|1,0,0]=3 18297 B15R1.11473 OCC(O)CSc1ccc(c(c1Cl)Cl)Br 62a_100011219619_200012356690 [0,2,0,0,0,0|0,2,0]=4 18298 B15R1.11473 OCC(O)CSc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100011219619 [0,2,0,0,0,0|0,2,0]=4 18299 B15R1.11473 OCC(O)CSc1ccc(c(c1F)Br)F 62a_100010167943_100011219619 [0,2,0,0,0,0|0,2,0]=4 18300 B15R1.11473 OCC(O)CSc1ccc(c(c1F)Br)F 62a_100011219619_100010167943 [0,2,0,0,0,0|0,2,0]=4 18301 B15R1.11473 OCC(O)CSc1ccc(c(c1F)Cl)Br 62a_100010212236_100011219619 [0,2,0,0,0,0|0,2,0]=4 18302 B15R1.11473 OCC(O)CSc1ccc(c(c1F)Cl)Br 62a_100011219619_100010212236 [0,2,0,0,0,0|0,2,0]=4 18303 B15R1.11473 OCC(O)CSc1ccc(c(c1F)Cl)F 62a_100011219619_200000038702 [0,2,0,0,0,0|0,2,0]=4 18304 B15R1.11473 OCC(O)CSc1ccc(c(c1F)Cl)F 62a_200000038702_100011219619 [0,2,0,0,0,0|0,2,0]=4 18305 B15R1.11473 OCC(O)CSc1ccc(c(c1F)F)Br 62a_100010212264_100011219619 [0,2,0,0,0,0|0,2,0]=4 18306 B15R1.11473 OCC(O)CSc1ccc(c(c1F)F)Br 62a_100011219619_100010212264 [0,2,0,0,0,0|0,2,0]=4 18307 B15R1.11473 OCC(O)CSc1ccc(c(c1F)F)F 62a_100000750562_100011219619 [0,2,0,0,0,0|0,2,0]=4 18308 B15R1.11473 OCC(O)CSc1ccc(c(c1F)F)F 62a_100011219619_100000750562 [0,2,0,0,0,0|0,2,0]=4 18309 B15R1.11473 OCC(O)CSc1ccc(c(c1F)F)O 62a_100011219619_100011830415 [0,2,0,0,0,0|1,1,0]=4 18310 B15R1.11473 OCC(O)CSc1ccc(c(c1F)F)O 62a_100011830415_100011219619 [0,2,0,0,0,0|1,1,0]=4 18311 B15R1.11473 OCC(O)CSc1ccc(c(c1F)O)Br 62a_100011219619_200010782288 [0,2,0,0,0,0|0,2,0]=4 18312 B15R1.11473 OCC(O)CSc1ccc(c(c1F)O)Br 62a_200010782288_100011219619 [0,2,0,0,0,0|0,2,0]=4 18313 B15R1.11473 OCC(O)CSc1ccc(c(c1F)O)F 62a_100010167067_100011219619 [0,2,0,0,0,0|0,2,0]=4 18314 B15R1.11473 OCC(O)CSc1ccc(c(c1F)O)F 62a_100011219619_100010167067 [0,2,0,0,0,0|0,2,0]=4 18315 B15R1.11473 OCC(O)CSc1ccc(c(c1O)F)F 62a_100010243909_100011219619 [0,2,0,0,0,0|0,2,0]=4 18316 B15R1.11473 OCC(O)CSc1ccc(c(c1O)F)F 62a_100011219619_100010243909 [0,2,0,0,0,0|0,2,0]=4 18317 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Br)Br)Br 34a_100010151465_100009815848 [0,2,0,0,0,0|1,1,0]=4 18318 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100009815848 [0,2,0,0,0,0|1,0,0]=3 18319 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Br)F)F 2230a_100010232473_100009815848 [0,2,0,0,0,0|1,1,0]=4 18320 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Br)F)F 34a_100010232473_100009815848 [0,2,0,0,0,0|1,1,0]=4 18321 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Br)F)F 7a_100010232473_100009815848 [0,2,0,0,0,0|1,1,0]=4 18322 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Br)F)I 34a_100015781493_100009815848 [0,2,0,0,0,0|1,1,0]=4 18323 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)Cl)Br 34a_100000701039_100009815848 [0,2,0,0,0,0|1,1,0]=4 18324 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100009815848 [0,2,0,0,0,0|1,0,0]=3 18325 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)Cl)F 2230a_100000068956_100009815848 [0,2,0,0,0,0|1,1,0]=4 18326 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)Cl)F 34a_100000068956_100009815848 [0,2,0,0,0,0|1,1,0]=4 18327 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)Cl)F 7a_100000068956_100009815848 [0,2,0,0,0,0|1,1,0]=4 18328 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100009815848 [0,2,0,0,0,0|2,0,0]=4 18329 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)Cl)O 7a_100012017499_100009815848 [0,2,0,0,0,0|2,0,0]=4 18330 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)Br 2230a_100010109752_100009815848 [0,2,0,0,0,0|1,1,0]=4 18331 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)Br 34a_100010109752_100009815848 [0,2,0,0,0,0|1,1,0]=4 18332 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100009815848 [0,2,0,0,0,0|1,0,0]=3 18333 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100009815848 [0,2,0,0,0,0|1,0,0]=3 18334 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100009815848 [0,2,0,0,0,0|1,0,0]=3 18335 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)F 2230a_100000101296_100009815848 [0,2,0,0,0,0|1,1,0]=4 18336 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)F 34a_100000101296_100009815848 [0,2,0,0,0,0|1,1,0]=4 18337 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1Cl)F)F 7a_100000101296_100009815848 [0,2,0,0,0,0|1,1,0]=4 18338 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Br)F 2230a_100010070858_100009815848 [0,2,0,0,0,0|1,1,0]=4 18339 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Br)F 34a_100010070858_100009815848 [0,2,0,0,0,0|1,1,0]=4 18340 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Br)F 7a_100010070858_100009815848 [0,2,0,0,0,0|1,1,0]=4 18341 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)Br 2230a_100009813730_100009815848 [0,2,0,0,0,0|1,1,0]=4 18342 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)Br 34a_100009813730_100009815848 [0,2,0,0,0,0|1,1,0]=4 18343 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100009815848 [0,2,0,0,0,0|1,0,0]=3 18344 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100009815848 [0,2,0,0,0,0|1,0,0]=3 18345 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)F 2230a_100000038966_100009815848 [0,2,0,0,0,0|1,1,0]=4 18346 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)F 34a_100000038966_100009815848 [0,2,0,0,0,0|1,1,0]=4 18347 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)F 7a_100000038966_100009815848 [0,2,0,0,0,0|1,1,0]=4 18348 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)O 34a_200000098347_100009815848 [0,2,0,0,0,0|2,0,0]=4 18349 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)Cl)O 7a_200000098347_100009815848 [0,2,0,0,0,0|2,0,0]=4 18350 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)Br 2230a_100010200256_100009815848 [0,2,0,0,0,0|1,1,0]=4 18351 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)Br 34a_100010200256_100009815848 [0,2,0,0,0,0|1,1,0]=4 18352 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)Cl 2230a_100000088996_100009815848 [0,2,0,0,0,0|1,0,0]=3 18353 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)Cl 34a_100000088996_100009815848 [0,2,0,0,0,0|1,0,0]=3 18354 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)Cl 7a_100000088996_100009815848 [0,2,0,0,0,0|1,0,0]=3 18355 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)F 2230a_100000210235_100009815848 [0,2,0,0,0,0|1,1,0]=4 18356 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)F 34a_100000210235_100009815848 [0,2,0,0,0,0|1,1,0]=4 18357 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)F 7a_100000210235_100009815848 [0,2,0,0,0,0|1,1,0]=4 18358 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)I 34a_100010291506_100009815848 [0,2,0,0,0,0|1,1,0]=4 18359 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)I 7a_100010291506_100009815848 [0,2,0,0,0,0|1,1,0]=4 18360 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)O 34a_100015204651_100009815848 [0,2,0,0,0,0|2,0,0]=4 18361 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)F)O 7a_100015204651_100009815848 [0,2,0,0,0,0|2,0,0]=4 18362 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1F)I)F 34a_100015510717_100009815848 [0,2,0,0,0,0|1,1,0]=4 18363 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1I)Br)F 34a_100020765651_100009815848 [0,2,0,0,0,0|1,1,0]=4 18364 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1I)Cl)Br 34a_200010779962_100009815848 [0,2,0,0,0,0|1,1,0]=4 18365 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100009815848 [0,2,0,0,0,0|1,0,0]=3 18366 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1I)F)Cl 34a_100010134325_100009815848 [0,2,0,0,0,0|1,0,0]=3 18367 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1O)Br)F 34a_100010128263_100009815848 [0,2,0,0,0,0|1,1,0]=4 18368 B15R1.11473 OC[C@H](O)CNc1ccc(c(c1O)F)F 34a_100015205010_100009815848 [0,2,0,0,0,0|1,1,0]=4 18369 B15R1.11473 OC[C@H](O)COc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100009815848 [0,2,0,0,0,0|0,1,0]=3 18370 B15R1.11473 OC[C@H](O)COc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100009815848 [0,2,0,0,0,0|0,1,0]=3 18371 B15R1.11473 OC[C@H](O)COc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100009815848 [0,2,0,0,0,0|0,0,0]=2 18372 B15R1.11473 OC[C@H](O)COc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100009815848 [0,2,0,0,0,0|0,0,0]=2 18373 B15R1.11473 OC[C@H](O)COc1ccc(c(c1Cl)F)Br 34a_100010245746_100009815848 [0,2,0,0,0,0|0,1,0]=3 18374 B15R1.11473 OC[C@H](O)COc1ccc(c(c1Cl)F)Br 7a_100010245746_100009815848 [0,2,0,0,0,0|0,1,0]=3 18375 B15R1.11473 OC[C@H](O)COc1ccc(c(c1F)F)Br 34a_100011830415_100009815848 [0,2,0,0,0,0|0,1,0]=3 18376 B15R1.11473 OC[C@H](O)COc1ccc(c(c1F)F)Br 7a_100011830415_100009815848 [0,2,0,0,0,0|0,1,0]=3 18377 B15R1.11473 OC[C@H](O)COc1ccc(c(c1F)F)F 34a_100000230025_100009815848 [0,2,0,0,0,0|0,1,0]=3 18378 B15R1.11473 OC[C@H](O)COc1ccc(c(c1F)F)F 7a_100000230025_100009815848 [0,2,0,0,0,0|0,1,0]=3 18379 B15R1.11473 OC[C@H](O)COc1ccc(c(c1F)F)I 34a_200011356956_100009815848 [0,2,0,0,0,0|0,1,0]=3 18380 B15R1.11473 OC[C@H](O)COc1ccc(c(c1F)F)I 7a_200011356956_100009815848 [0,2,0,0,0,0|0,1,0]=3 18381 B15R1.11473 OC[C@H](O)COc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100009815848 [0,2,0,0,0,0|1,0,0]=3 18382 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1Cl)Cl)Br 62a_100009815848_200012356690 [0,2,0,0,0,0|0,2,0]=4 18383 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1Cl)Cl)Br 62a_200012356690_100009815848 [0,2,0,0,0,0|0,2,0]=4 18384 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)Br)F 62a_100009815848_100010167943 [0,2,0,0,0,0|0,2,0]=4 18385 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)Br)F 62a_100010167943_100009815848 [0,2,0,0,0,0|0,2,0]=4 18386 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)Cl)Br 62a_100009815848_100010212236 [0,2,0,0,0,0|0,2,0]=4 18387 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)Cl)Br 62a_100010212236_100009815848 [0,2,0,0,0,0|0,2,0]=4 18388 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)Cl)F 62a_100009815848_200000038702 [0,2,0,0,0,0|0,2,0]=4 18389 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)Cl)F 62a_200000038702_100009815848 [0,2,0,0,0,0|0,2,0]=4 18390 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)F)Br 62a_100009815848_100010212264 [0,2,0,0,0,0|0,2,0]=4 18391 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)F)Br 62a_100010212264_100009815848 [0,2,0,0,0,0|0,2,0]=4 18392 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)F)F 62a_100000750562_100009815848 [0,2,0,0,0,0|0,2,0]=4 18393 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)F)F 62a_100009815848_100000750562 [0,2,0,0,0,0|0,2,0]=4 18394 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)F)O 62a_100009815848_100011830415 [0,2,0,0,0,0|1,1,0]=4 18395 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)F)O 62a_100011830415_100009815848 [0,2,0,0,0,0|1,1,0]=4 18396 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)O)Br 62a_100009815848_200010782288 [0,2,0,0,0,0|0,2,0]=4 18397 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)O)Br 62a_200010782288_100009815848 [0,2,0,0,0,0|0,2,0]=4 18398 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)O)F 62a_100009815848_100010167067 [0,2,0,0,0,0|0,2,0]=4 18399 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1F)O)F 62a_100010167067_100009815848 [0,2,0,0,0,0|0,2,0]=4 18400 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1O)F)F 62a_100009815848_100010243909 [0,2,0,0,0,0|0,2,0]=4 18401 B15R1.11473 OC[C@H](O)CSc1ccc(c(c1O)F)F 62a_100010243909_100009815848 [0,2,0,0,0,0|0,2,0]=4 18402 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1Br)Cl)Cl 34a_100021501213_100015614560 [0,2,0,0,0,0|2,0,0]=4 18403 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1Cl)Cl)Cl 34a_200000033989_100015614560 [0,2,0,0,0,0|2,0,0]=4 18404 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1Cl)F)Cl 2230a_100000069711_100015614560 [0,2,0,0,0,0|2,0,0]=4 18405 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1Cl)F)Cl 34a_100000069711_100015614560 [0,2,0,0,0,0|2,0,0]=4 18406 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1Cl)F)Cl 7a_100000069711_100015614560 [0,2,0,0,0,0|2,0,0]=4 18407 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1F)Cl)Cl 2230a_100000036759_100015614560 [0,2,0,0,0,0|2,0,0]=4 18408 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1F)Cl)Cl 34a_100000036759_100015614560 [0,2,0,0,0,0|2,0,0]=4 18409 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1F)F)Cl 2230a_100000088996_100015614560 [0,2,0,0,0,0|2,0,0]=4 18410 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1F)F)Cl 34a_100000088996_100015614560 [0,2,0,0,0,0|2,0,0]=4 18411 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1F)F)Cl 7a_100000088996_100015614560 [0,2,0,0,0,0|2,0,0]=4 18412 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1I)Cl)Cl 34a_200011093878_100015614560 [0,2,0,0,0,0|2,0,0]=4 18413 B15R1.11473 O[C@@H](CF)CNc1ccc(c(c1I)F)Cl 34a_100010134325_100015614560 [0,2,0,0,0,0|2,0,0]=4 18414 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1Cl)Cl)Br 34a_100011988769_100015614560 [0,2,0,0,0,0|1,1,0]=4 18415 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1Cl)Cl)Br 7a_100011988769_100015614560 [0,2,0,0,0,0|1,1,0]=4 18416 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1Cl)Cl)Cl 34a_200011215298_100015614560 [0,2,0,0,0,0|1,0,0]=3 18417 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1Cl)Cl)Cl 7a_200011215298_100015614560 [0,2,0,0,0,0|1,0,0]=3 18418 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1Cl)F)Br 34a_100010245746_100015614560 [0,2,0,0,0,0|1,1,0]=4 18419 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1Cl)F)Br 7a_100010245746_100015614560 [0,2,0,0,0,0|1,1,0]=4 18420 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1F)F)Br 34a_100011830415_100015614560 [0,2,0,0,0,0|1,1,0]=4 18421 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1F)F)Br 7a_100011830415_100015614560 [0,2,0,0,0,0|1,1,0]=4 18422 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1F)F)F 34a_100000230025_100015614560 [0,2,0,0,0,0|1,1,0]=4 18423 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1F)F)F 7a_100000230025_100015614560 [0,2,0,0,0,0|1,1,0]=4 18424 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1F)F)I 34a_200011356956_100015614560 [0,2,0,0,0,0|1,1,0]=4 18425 B15R1.11473 O[C@@H](CF)COc1ccc(c(c1F)F)I 7a_200011356956_100015614560 [0,2,0,0,0,0|1,1,0]=4 18426 B15R1.11473 O[C@@H](CF)COc1ncc(c(c1Cl)Cl)Cl 34a_200010273840_100015614560 [0,2,0,0,0,0|2,0,0]=4 18427 B15R1.13065 C#Cc1cc(ccc1NCC(O)CO)C 34a_200012001881_100011219619 [0,2,0,0,0,0|2,0,0]=4 18428 B15R1.13065 C#Cc1cc(ccc1NC[C@@H](O)CO)C 34a_200012001881_100009815848 [0,2,0,0,0,0|2,0,0]=4 18429 B15R1.13065 C=CC(O)COc1ccc(cc1C#N)Cl 34a_100011219380_100000730141 [0,2,0,0,0,0|1,0,1]=4 18430 B15R1.13065 C=CC(O)COc1ccc(cc1C#N)Cl 7a_100011219380_100000730141 [0,2,0,0,0,0|1,0,1]=4 18431 B15R1.13065 C=CC(O)COc1ccc(cc1CN)Cl 34a_100000238540_100000730141 [0,2,0,0,0,0|1,0,1]=4 18432 B15R1.13065 C=CC(O)COc1ccc(cc1CO)Cl 34a_100011218961_100000730141 [0,2,0,0,0,0|1,0,1]=4 18433 B15R1.13065 C=CC(O)COc1ccc(cc1CO)Cl 7a_100011218961_100000730141 [0,2,0,0,0,0|1,0,1]=4 18434 B15R1.13065 C=CC(O)COc1ccc(cc1OC)Cl 34a_100000033002_100000730141 [0,2,0,0,0,0|1,0,1]=4 18435 B15R1.13065 C=Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100012356183 [0,2,0,0,0,0|0,2,0]=4 18436 B15R1.13065 C=Cc1cc(ccc1SCC(O)CO)F 62a_100012356183_100011219619 [0,2,0,0,0,0|0,2,0]=4 18437 B15R1.13065 C=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100012356183 [0,2,0,0,0,0|0,2,0]=4 18438 B15R1.13065 C=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100012356183_100009815848 [0,2,0,0,0,0|0,2,0]=4 18439 B15R1.13065 CCC(C)COc1ccc(cc1C#N)Cl 34a_100011219380_100000748023 [0,2,0,0,0,0|2,0,0]=4 18440 B15R1.13065 CCC(C)COc1ccc(cc1C#N)Cl 7a_100011219380_100000748023 [0,2,0,0,0,0|2,0,0]=4 18441 B15R1.13065 CCC(C)COc1ccc(cc1CN)Cl 34a_100000238540_100000748023 [0,2,0,0,0,0|2,0,0]=4 18442 B15R1.13065 CCC(C)COc1ccc(cc1CO)Cl 34a_100011218961_100000748023 [0,2,0,0,0,0|2,0,0]=4 18443 B15R1.13065 CCC(C)COc1ccc(cc1CO)Cl 7a_100011218961_100000748023 [0,2,0,0,0,0|2,0,0]=4 18444 B15R1.13065 CCC(C)COc1ccc(cc1OC)Cl 34a_100000033002_100000748023 [0,2,0,0,0,0|2,0,0]=4 18445 B15R1.13065 CCC(O)CNc1ccc(cc1C#N)Cl 7a_100011219925_100011218378 [0,2,0,0,0,0|2,0,0]=4 18446 B15R1.13065 CCC(O)CNc1ccc(cc1CO)Cl 34a_100011214999_100011218378 [0,2,0,0,0,0|2,0,0]=4 18447 B15R1.13065 CCC(O)CNc1ccc(cc1OC)Cl 34a_100000707585_100011218378 [0,2,0,0,0,0|2,0,0]=4 18448 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Br 34a_100000687585_100011218378 [0,2,0,0,0,0|1,1,0]=4 18449 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Br 7a_100000687585_100011218378 [0,2,0,0,0,0|1,1,0]=4 18450 B15R1.13065 CCC(O)COc1ccc(cc1C#N)C 34a_200012180384_100011218378 [0,2,0,0,0,0|2,0,0]=4 18451 B15R1.13065 CCC(O)COc1ccc(cc1C#N)C 7a_200012180384_100011218378 [0,2,0,0,0,0|2,0,0]=4 18452 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Cl 34a_100011219380_100011218378 [0,2,0,0,0,0|1,0,0]=3 18453 B15R1.13065 CCC(O)COc1ccc(cc1C#N)Cl 7a_100011219380_100011218378 [0,2,0,0,0,0|1,0,0]=3 18454 B15R1.13065 CCC(O)COc1ccc(cc1C#N)F 34a_100011900173_100011218378 [0,2,0,0,0,0|1,1,0]=4 18455 B15R1.13065 CCC(O)COc1ccc(cc1C#N)F 7a_100011900173_100011218378 [0,2,0,0,0,0|1,1,0]=4 18456 B15R1.13065 CCC(O)COc1ccc(cc1C#N)I 34a_200000049958_100011218378 [0,2,0,0,0,0|1,1,0]=4 18457 B15R1.13065 CCC(O)COc1ccc(cc1C#N)I 7a_200000049958_100011218378 [0,2,0,0,0,0|1,1,0]=4 18458 B15R1.13065 CCC(O)COc1ccc(cc1C#N)N 34a_100011249283_100011218378 [0,2,0,0,0,0|2,0,0]=4 18459 B15R1.13065 CCC(O)COc1ccc(cc1C#N)N 7a_100011249283_100011218378 [0,2,0,0,0,0|2,0,0]=4 18460 B15R1.13065 CCC(O)COc1ccc(cc1CBr)F 34a_100010161318_100011218378 [0,2,0,0,0,0|1,1,0]=4 18461 B15R1.13065 CCC(O)COc1ccc(cc1CBr)F 7a_100010161318_100011218378 [0,2,0,0,0,0|1,1,0]=4 18462 B15R1.13065 CCC(O)COc1ccc(cc1CN)Br 34a_100000730032_100011218378 [0,2,0,0,0,0|1,1,0]=4 18463 B15R1.13065 CCC(O)COc1ccc(cc1CN)Cl 34a_100000238540_100011218378 [0,2,0,0,0,0|1,0,0]=3 18464 B15R1.13065 CCC(O)COc1ccc(cc1CO)Br 34a_100000184703_100011218378 [0,2,0,0,0,0|1,1,0]=4 18465 B15R1.13065 CCC(O)COc1ccc(cc1CO)Br 7a_100000184703_100011218378 [0,2,0,0,0,0|1,1,0]=4 18466 B15R1.13065 CCC(O)COc1ccc(cc1CO)C 34a_200011846009_100011218378 [0,2,0,0,0,0|2,0,0]=4 18467 B15R1.13065 CCC(O)COc1ccc(cc1CO)C 7a_200011846009_100011218378 [0,2,0,0,0,0|2,0,0]=4 18468 B15R1.13065 CCC(O)COc1ccc(cc1CO)Cl 34a_100011218961_100011218378 [0,2,0,0,0,0|1,0,0]=3 18469 B15R1.13065 CCC(O)COc1ccc(cc1CO)Cl 7a_100011218961_100011218378 [0,2,0,0,0,0|1,0,0]=3 18470 B15R1.13065 CCC(O)COc1ccc(cc1CO)F 34a_100011291448_100011218378 [0,2,0,0,0,0|1,1,0]=4 18471 B15R1.13065 CCC(O)COc1ccc(cc1CO)F 7a_100011291448_100011218378 [0,2,0,0,0,0|1,1,0]=4 18472 B15R1.13065 CCC(O)COc1ccc(cc1CO)I 34a_100000049520_100011218378 [0,2,0,0,0,0|1,1,0]=4 18473 B15R1.13065 CCC(O)COc1ccc(cc1CO)I 7a_100000049520_100011218378 [0,2,0,0,0,0|1,1,0]=4 18474 B15R1.13065 CCC(O)COc1ccc(cc1OC)Br 34a_100000694246_100011218378 [0,2,0,0,0,0|1,1,0]=4 18475 B15R1.13065 CCC(O)COc1ccc(cc1OC)Br 7a_100000694246_100011218378 [0,2,0,0,0,0|1,1,0]=4 18476 B15R1.13065 CCC(O)COc1ccc(cc1OC)C 34a_100000186466_100011218378 [0,2,0,0,0,0|2,0,0]=4 18477 B15R1.13065 CCC(O)COc1ccc(cc1OC)Cl 34a_100000033002_100011218378 [0,2,0,0,0,0|1,0,0]=3 18478 B15R1.13065 CCC(O)COc1ccc(cc1OC)F 34a_100000036057_100011218378 [0,2,0,0,0,0|1,1,0]=4 18479 B15R1.13065 CCC(O)COc1ccc(cc1OC)F 7a_100000036057_100011218378 [0,2,0,0,0,0|1,1,0]=4 18480 B15R1.13065 CCC(O)COc1ccc(cc1OC)I 34a_100000049635_100011218378 [0,2,0,0,0,0|1,1,0]=4 18481 B15R1.13065 CCC(O)COc1ccc(cc1OC)N 34a_100000726020_100011218378 [0,2,0,0,0,0|2,0,0]=4 18482 B15R1.13065 CCC(O)COc1ncc(cc1OC)Cl 34a_200009845368_100011218378 [0,2,0,0,0,0|2,0,0]=4 18483 B15R1.13065 CCC(O)CSc1ccc(cc1C#N)Cl 62a_100011218378_200011356825 [0,2,0,0,0,0|1,1,0]=4 18484 B15R1.13065 CCC(O)CSc1ccc(cc1C=O)Cl 62a_100010254386_100011218378 [0,2,0,0,0,0|1,1,0]=4 18485 B15R1.13065 CCC(O)CSc1ccc(cc1C=O)Cl 62a_100011218378_100010254386 [0,2,0,0,0,0|1,1,0]=4 18486 B15R1.13065 CCC(O)CSc1ccc(cc1OC)Cl 62a_100000050115_100011218378 [0,2,0,0,0,0|1,1,0]=4 18487 B15R1.13065 CCC(O)CSc1ccc(cc1OC)Cl 62a_100011218378_100000050115 [0,2,0,0,0,0|1,1,0]=4 18488 B15R1.13065 CC[C@H](C)COc1ccc(cc1C#N)Cl 34a_100011219380_100009816398 [0,2,0,0,0,0|2,0,0]=4 18489 B15R1.13065 CC[C@H](C)COc1ccc(cc1C#N)Cl 7a_100011219380_100009816398 [0,2,0,0,0,0|2,0,0]=4 18490 B15R1.13065 CC[C@H](C)COc1ccc(cc1CN)Cl 34a_100000238540_100009816398 [0,2,0,0,0,0|2,0,0]=4 18491 B15R1.13065 CC[C@H](C)COc1ccc(cc1CO)Cl 34a_100011218961_100009816398 [0,2,0,0,0,0|2,0,0]=4 18492 B15R1.13065 CC[C@H](C)COc1ccc(cc1CO)Cl 7a_100011218961_100009816398 [0,2,0,0,0,0|2,0,0]=4 18493 B15R1.13065 CC[C@H](C)COc1ccc(cc1OC)Cl 34a_100000033002_100009816398 [0,2,0,0,0,0|2,0,0]=4 18494 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Cl 2230a_100012017146_100011218378 [0,2,0,0,0,0|2,0,0]=4 18495 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Cl 34a_100012017146_100011218378 [0,2,0,0,0,0|2,0,0]=4 18496 B15R1.13065 CCc1cc(ccc1NCC(O)CC)Cl 7a_100012017146_100011218378 [0,2,0,0,0,0|2,0,0]=4 18497 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Br 2230a_100000686106_100011219619 [0,2,0,0,0,0|1,1,0]=4 18498 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Br 34a_100000686106_100011219619 [0,2,0,0,0,0|1,1,0]=4 18499 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Br 7a_100000686106_100011219619 [0,2,0,0,0,0|1,1,0]=4 18500 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Cl 2230a_100012017146_100011219619 [0,2,0,0,0,0|1,0,0]=3 18501 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Cl 34a_100012017146_100011219619 [0,2,0,0,0,0|1,0,0]=3 18502 B15R1.13065 CCc1cc(ccc1NCC(O)CO)Cl 7a_100012017146_100011219619 [0,2,0,0,0,0|1,0,0]=3 18503 B15R1.13065 CCc1cc(ccc1NCC(O)CO)I 2230a_100000014069_100011219619 [0,2,0,0,0,0|1,1,0]=4 18504 B15R1.13065 CCc1cc(ccc1NCC(O)CO)I 34a_100000014069_100011219619 [0,2,0,0,0,0|1,1,0]=4 18505 B15R1.13065 CCc1cc(ccc1NCC(O)CO)I 7a_100000014069_100011219619 [0,2,0,0,0,0|1,1,0]=4 18506 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Cl 2230a_100012017146_100000059175 [0,2,0,0,0,0|2,0,0]=4 18507 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Cl 34a_100012017146_100000059175 [0,2,0,0,0,0|2,0,0]=4 18508 B15R1.13065 CCc1cc(ccc1NC[C@@H](C)CO)Cl 7a_100012017146_100000059175 [0,2,0,0,0,0|2,0,0]=4 18509 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Cl 2230a_100012017146_100015614560 [0,2,0,0,0,0|2,0,0]=4 18510 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100012017146_100015614560 [0,2,0,0,0,0|2,0,0]=4 18511 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CF)Cl 7a_100012017146_100015614560 [0,2,0,0,0,0|2,0,0]=4 18512 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Br 2230a_100000686106_100009815848 [0,2,0,0,0,0|1,1,0]=4 18513 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Br 34a_100000686106_100009815848 [0,2,0,0,0,0|1,1,0]=4 18514 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Br 7a_100000686106_100009815848 [0,2,0,0,0,0|1,1,0]=4 18515 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Cl 2230a_100012017146_100009815848 [0,2,0,0,0,0|1,0,0]=3 18516 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100012017146_100009815848 [0,2,0,0,0,0|1,0,0]=3 18517 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)Cl 7a_100012017146_100009815848 [0,2,0,0,0,0|1,0,0]=3 18518 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)I 2230a_100000014069_100009815848 [0,2,0,0,0,0|1,1,0]=4 18519 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)I 34a_100000014069_100009815848 [0,2,0,0,0,0|1,1,0]=4 18520 B15R1.13065 CCc1cc(ccc1NC[C@@H](O)CO)I 7a_100000014069_100009815848 [0,2,0,0,0,0|1,1,0]=4 18521 B15R1.13065 CCc1cc(ccc1OCC(O)CC)Br 34a_100012338938_100011218378 [0,2,0,0,0,0|1,1,0]=4 18522 B15R1.13065 CCc1cc(ccc1OCC(O)CC)Br 7a_100012338938_100011218378 [0,2,0,0,0,0|1,1,0]=4 18523 B15R1.13065 CCc1cc(ccc1OCC(O)CC)C 34a_100009844793_100011218378 [0,2,0,0,0,0|2,0,0]=4 18524 B15R1.13065 CCc1cc(ccc1OCC(O)CC)C 7a_100009844793_100011218378 [0,2,0,0,0,0|2,0,0]=4 18525 B15R1.13065 CCc1cc(ccc1OCC(O)CC)F 34a_200000035566_100011218378 [0,2,0,0,0,0|1,1,0]=4 18526 B15R1.13065 CCc1cc(ccc1OCC(O)CC)F 7a_200000035566_100011218378 [0,2,0,0,0,0|1,1,0]=4 18527 B15R1.13065 CCc1cc(ccc1OCC(O)CO)Br 34a_100012338938_100011219619 [0,2,0,0,0,0|0,1,0]=3 18528 B15R1.13065 CCc1cc(ccc1OCC(O)CO)Br 7a_100012338938_100011219619 [0,2,0,0,0,0|0,1,0]=3 18529 B15R1.13065 CCc1cc(ccc1OCC(O)CO)C 34a_100009844793_100011219619 [0,2,0,0,0,0|1,0,0]=3 18530 B15R1.13065 CCc1cc(ccc1OCC(O)CO)C 7a_100009844793_100011219619 [0,2,0,0,0,0|1,0,0]=3 18531 B15R1.13065 CCc1cc(ccc1OCC(O)CO)F 34a_200000035566_100011219619 [0,2,0,0,0,0|0,1,0]=3 18532 B15R1.13065 CCc1cc(ccc1OCC(O)CO)F 7a_200000035566_100011219619 [0,2,0,0,0,0|0,1,0]=3 18533 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)Br 34a_100012338938_100000059175 [0,2,0,0,0,0|1,1,0]=4 18534 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)Br 7a_100012338938_100000059175 [0,2,0,0,0,0|1,1,0]=4 18535 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)C 34a_100009844793_100000059175 [0,2,0,0,0,0|2,0,0]=4 18536 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)C 7a_100009844793_100000059175 [0,2,0,0,0,0|2,0,0]=4 18537 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)F 34a_200000035566_100000059175 [0,2,0,0,0,0|1,1,0]=4 18538 B15R1.13065 CCc1cc(ccc1OC[C@@H](C)CO)F 7a_200000035566_100000059175 [0,2,0,0,0,0|1,1,0]=4 18539 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)Br 34a_100012338938_100015614560 [0,2,0,0,0,0|1,1,0]=4 18540 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)Br 7a_100012338938_100015614560 [0,2,0,0,0,0|1,1,0]=4 18541 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)C 34a_100009844793_100015614560 [0,2,0,0,0,0|2,0,0]=4 18542 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)C 7a_100009844793_100015614560 [0,2,0,0,0,0|2,0,0]=4 18543 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)F 34a_200000035566_100015614560 [0,2,0,0,0,0|1,1,0]=4 18544 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CF)F 7a_200000035566_100015614560 [0,2,0,0,0,0|1,1,0]=4 18545 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)Br 34a_100012338938_100009815848 [0,2,0,0,0,0|0,1,0]=3 18546 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)Br 7a_100012338938_100009815848 [0,2,0,0,0,0|0,1,0]=3 18547 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)C 34a_100009844793_100009815848 [0,2,0,0,0,0|1,0,0]=3 18548 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)C 7a_100009844793_100009815848 [0,2,0,0,0,0|1,0,0]=3 18549 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)F 34a_200000035566_100009815848 [0,2,0,0,0,0|0,1,0]=3 18550 B15R1.13065 CCc1cc(ccc1OC[C@@H](O)CO)F 7a_200000035566_100009815848 [0,2,0,0,0,0|0,1,0]=3 18551 B15R1.13065 CCc1cc(ccc1SCC(O)CO)Br 62a_100011216195_100011219619 [0,2,0,0,0,0|0,2,0]=4 18552 B15R1.13065 CCc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100011216195 [0,2,0,0,0,0|0,2,0]=4 18553 B15R1.13065 CCc1cc(ccc1SCC(O)CO)N 62a_100010109747_100011219619 [0,2,0,0,0,0|1,1,0]=4 18554 B15R1.13065 CCc1cc(ccc1SCC(O)CO)N 62a_100011219619_100010109747 [0,2,0,0,0,0|1,1,0]=4 18555 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100011216195 [0,2,0,0,0,0|0,2,0]=4 18556 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100011216195_100009815848 [0,2,0,0,0,0|0,2,0]=4 18557 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100010109747 [0,2,0,0,0,0|1,1,0]=4 18558 B15R1.13065 CCc1cc(ccc1SC[C@@H](O)CO)N 62a_100010109747_100009815848 [0,2,0,0,0,0|1,1,0]=4 18559 B15R1.13065 CCc1nc(ccc1OCC(O)CO)C 34a_100000718140_100011219619 [0,2,0,0,0,0|2,0,0]=4 18560 B15R1.13065 CCc1nc(ccc1OCC(O)CO)C 7a_100000718140_100011219619 [0,2,0,0,0,0|2,0,0]=4 18561 B15R1.13065 CCc1nc(ccc1OC[C@@H](O)CO)C 34a_100000718140_100009815848 [0,2,0,0,0,0|2,0,0]=4 18562 B15R1.13065 CCc1nc(ccc1OC[C@@H](O)CO)C 7a_100000718140_100009815848 [0,2,0,0,0,0|2,0,0]=4 18563 B15R1.13065 CNc1cc(ccc1SCC(O)CO)F 62a_100011219619_100020633008 [0,2,0,0,0,0|0,2,0]=4 18564 B15R1.13065 CNc1cc(ccc1SCC(O)CO)F 62a_100020633008_100011219619 [0,2,0,0,0,0|0,2,0]=4 18565 B15R1.13065 CNc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100020633008 [0,2,0,0,0,0|0,2,0]=4 18566 B15R1.13065 CNc1cc(ccc1SC[C@@H](O)CO)F 62a_100020633008_100009815848 [0,2,0,0,0,0|0,2,0]=4 18567 B15R1.13065 COc1cc(ccc1NCC(O)CO)Br 34a_100011279103_100011219619 [0,2,0,0,0,0|1,1,0]=4 18568 B15R1.13065 COc1cc(ccc1NCC(O)CO)C 2230a_100000746441_100011219619 [0,2,0,0,0,0|2,0,0]=4 18569 B15R1.13065 COc1cc(ccc1NCC(O)CO)C 34a_100000746441_100011219619 [0,2,0,0,0,0|2,0,0]=4 18570 B15R1.13065 COc1cc(ccc1NCC(O)CO)Cl 34a_100000707585_100011219619 [0,2,0,0,0,0|1,0,0]=3 18571 B15R1.13065 COc1cc(ccc1NCC(O)CO)F 34a_100000737216_100011219619 [0,2,0,0,0,0|1,1,0]=4 18572 B15R1.13065 COc1cc(ccc1NCC(O)CO)I 34a_100015196925_100011219619 [0,2,0,0,0,0|1,1,0]=4 18573 B15R1.13065 COc1cc(ccc1NCC(O)CO)O 34a_100015326901_100011219619 [0,2,0,0,0,0|2,0,0]=4 18574 B15R1.13065 COc1cc(ccc1NC[C@@H](C)CO)Cl 34a_100000707585_100000059175 [0,2,0,0,0,0|2,0,0]=4 18575 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100000707585_100015614560 [0,2,0,0,0,0|2,0,0]=4 18576 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)Br 34a_100011279103_100009815848 [0,2,0,0,0,0|1,1,0]=4 18577 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)C 2230a_100000746441_100009815848 [0,2,0,0,0,0|2,0,0]=4 18578 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)C 34a_100000746441_100009815848 [0,2,0,0,0,0|2,0,0]=4 18579 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100000707585_100009815848 [0,2,0,0,0,0|1,0,0]=3 18580 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)F 34a_100000737216_100009815848 [0,2,0,0,0,0|1,1,0]=4 18581 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)I 34a_100015196925_100009815848 [0,2,0,0,0,0|1,1,0]=4 18582 B15R1.13065 COc1cc(ccc1NC[C@@H](O)CO)O 34a_100015326901_100009815848 [0,2,0,0,0,0|2,0,0]=4 18583 B15R1.13065 COc1cc(ccc1OCC(O)CO)Br 34a_100000694246_100011219619 [0,2,0,0,0,0|0,1,0]=3 18584 B15R1.13065 COc1cc(ccc1OCC(O)CO)Br 7a_100000694246_100011219619 [0,2,0,0,0,0|0,1,0]=3 18585 B15R1.13065 COc1cc(ccc1OCC(O)CO)C 34a_100000186466_100011219619 [0,2,0,0,0,0|1,0,0]=3 18586 B15R1.13065 COc1cc(ccc1OCC(O)CO)Cl 34a_100000033002_100011219619 [0,2,0,0,0,0|0,0,0]=2 18587 B15R1.13065 COc1cc(ccc1OCC(O)CO)F 34a_100000036057_100011219619 [0,2,0,0,0,0|0,1,0]=3 18588 B15R1.13065 COc1cc(ccc1OCC(O)CO)F 7a_100000036057_100011219619 [0,2,0,0,0,0|0,1,0]=3 18589 B15R1.13065 COc1cc(ccc1OCC(O)CO)I 34a_100000049635_100011219619 [0,2,0,0,0,0|0,1,0]=3 18590 B15R1.13065 COc1cc(ccc1OCC(O)CO)N 34a_100000726020_100011219619 [0,2,0,0,0,0|1,0,0]=3 18591 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)Br 34a_100000694246_100000059175 [0,2,0,0,0,0|1,1,0]=4 18592 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)Br 7a_100000694246_100000059175 [0,2,0,0,0,0|1,1,0]=4 18593 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)C 34a_100000186466_100000059175 [0,2,0,0,0,0|2,0,0]=4 18594 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)Cl 34a_100000033002_100000059175 [0,2,0,0,0,0|1,0,0]=3 18595 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)F 34a_100000036057_100000059175 [0,2,0,0,0,0|1,1,0]=4 18596 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)F 7a_100000036057_100000059175 [0,2,0,0,0,0|1,1,0]=4 18597 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)I 34a_100000049635_100000059175 [0,2,0,0,0,0|1,1,0]=4 18598 B15R1.13065 COc1cc(ccc1OC[C@@H](C)CO)N 34a_100000726020_100000059175 [0,2,0,0,0,0|2,0,0]=4 18599 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000694246_100015614560 [0,2,0,0,0,0|1,1,0]=4 18600 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000694246_100015614560 [0,2,0,0,0,0|1,1,0]=4 18601 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)C 34a_100000186466_100015614560 [0,2,0,0,0,0|2,0,0]=4 18602 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000033002_100015614560 [0,2,0,0,0,0|1,0,0]=3 18603 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)F 34a_100000036057_100015614560 [0,2,0,0,0,0|1,1,0]=4 18604 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)F 7a_100000036057_100015614560 [0,2,0,0,0,0|1,1,0]=4 18605 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)I 34a_100000049635_100015614560 [0,2,0,0,0,0|1,1,0]=4 18606 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CF)N 34a_100000726020_100015614560 [0,2,0,0,0,0|2,0,0]=4 18607 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000694246_100009815848 [0,2,0,0,0,0|0,1,0]=3 18608 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000694246_100009815848 [0,2,0,0,0,0|0,1,0]=3 18609 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)C 34a_100000186466_100009815848 [0,2,0,0,0,0|1,0,0]=3 18610 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000033002_100009815848 [0,2,0,0,0,0|0,0,0]=2 18611 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)F 34a_100000036057_100009815848 [0,2,0,0,0,0|0,1,0]=3 18612 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)F 7a_100000036057_100009815848 [0,2,0,0,0,0|0,1,0]=3 18613 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)I 34a_100000049635_100009815848 [0,2,0,0,0,0|0,1,0]=3 18614 B15R1.13065 COc1cc(ccc1OC[C@@H](O)CO)N 34a_100000726020_100009815848 [0,2,0,0,0,0|1,0,0]=3 18615 B15R1.13065 COc1cc(ccc1SCC(O)CO)Br 62a_100010245111_100011219619 [0,2,0,0,0,0|0,2,0]=4 18616 B15R1.13065 COc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100010245111 [0,2,0,0,0,0|0,2,0]=4 18617 B15R1.13065 COc1cc(ccc1SCC(O)CO)C 62a_100010200004_100011219619 [0,2,0,0,0,0|1,1,0]=4 18618 B15R1.13065 COc1cc(ccc1SCC(O)CO)C 62a_100011219619_100010200004 [0,2,0,0,0,0|1,1,0]=4 18619 B15R1.13065 COc1cc(ccc1SCC(O)CO)Cl 62a_100000050115_100011219619 [0,2,0,0,0,0|0,1,0]=3 18620 B15R1.13065 COc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100000050115 [0,2,0,0,0,0|0,1,0]=3 18621 B15R1.13065 COc1cc(ccc1SCC(O)CO)F 62a_100000757151_100011219619 [0,2,0,0,0,0|0,2,0]=4 18622 B15R1.13065 COc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000757151 [0,2,0,0,0,0|0,2,0]=4 18623 B15R1.13065 COc1cc(ccc1SCC(O)CO)N 62a_100000765947_100011219619 [0,2,0,0,0,0|1,1,0]=4 18624 B15R1.13065 COc1cc(ccc1SCC(O)CO)N 62a_100011219619_100000765947 [0,2,0,0,0,0|1,1,0]=4 18625 B15R1.13065 COc1cc(ccc1SCC(O)CO)O 62a_100011219619_100011827694 [0,2,0,0,0,0|1,1,0]=4 18626 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100000050115_100000059175 [0,2,0,0,0,0|1,1,0]=4 18627 B15R1.13065 COc1cc(ccc1SC[C@@H](C)CO)Cl 62a_100000059175_100000050115 [0,2,0,0,0,0|1,1,0]=4 18628 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100000050115_100015614560 [0,2,0,0,0,0|1,1,0]=4 18629 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100000050115 [0,2,0,0,0,0|1,1,0]=4 18630 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100010245111 [0,2,0,0,0,0|0,2,0]=4 18631 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Br 62a_100010245111_100009815848 [0,2,0,0,0,0|0,2,0]=4 18632 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)C 62a_100009815848_100010200004 [0,2,0,0,0,0|1,1,0]=4 18633 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)C 62a_100010200004_100009815848 [0,2,0,0,0,0|1,1,0]=4 18634 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100000050115_100009815848 [0,2,0,0,0,0|0,1,0]=3 18635 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100000050115 [0,2,0,0,0,0|0,1,0]=3 18636 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)F 62a_100000757151_100009815848 [0,2,0,0,0,0|0,2,0]=4 18637 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000757151 [0,2,0,0,0,0|0,2,0]=4 18638 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)N 62a_100000765947_100009815848 [0,2,0,0,0,0|1,1,0]=4 18639 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100000765947 [0,2,0,0,0,0|1,1,0]=4 18640 B15R1.13065 COc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100011827694 [0,2,0,0,0,0|1,1,0]=4 18641 B15R1.13065 COc1cc(cnc1OCC(O)CO)Cl 34a_200009845368_100011219619 [0,2,0,0,0,0|1,0,0]=3 18642 B15R1.13065 COc1cc(cnc1OC[C@@H](C)CO)Cl 34a_200009845368_100000059175 [0,2,0,0,0,0|2,0,0]=4 18643 B15R1.13065 COc1cc(cnc1OC[C@@H](O)CF)Cl 34a_200009845368_100015614560 [0,2,0,0,0,0|2,0,0]=4 18644 B15R1.13065 COc1cc(cnc1OC[C@@H](O)CO)Cl 34a_200009845368_100009815848 [0,2,0,0,0,0|1,0,0]=3 18645 B15R1.13065 COc1cc(ncc1SCC(O)CO)Cl 62a_100010154656_100011219619 [0,2,0,0,0,0|1,1,0]=4 18646 B15R1.13065 COc1cc(ncc1SCC(O)CO)Cl 62a_100011219619_100010154656 [0,2,0,0,0,0|1,1,0]=4 18647 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100009815848_100010154656 [0,2,0,0,0,0|1,1,0]=4 18648 B15R1.13065 COc1cc(ncc1SC[C@@H](O)CO)Cl 62a_100010154656_100009815848 [0,2,0,0,0,0|1,1,0]=4 18649 B15R1.13065 COc1nc(ccc1OCC(O)CO)Br 34a_100010893133_100011219619 [0,2,0,0,0,0|1,1,0]=4 18650 B15R1.13065 COc1nc(ccc1OC[C@@H](O)CO)Br 34a_100010893133_100009815848 [0,2,0,0,0,0|1,1,0]=4 18651 B15R1.13065 CSc1cc(ccc1SCC(O)CO)C 62a_100011219619_200010709736 [0,2,0,0,0,0|1,1,0]=4 18652 B15R1.13065 CSc1cc(ccc1SCC(O)CO)C 62a_200010709736_100011219619 [0,2,0,0,0,0|1,1,0]=4 18653 B15R1.13065 CSc1cc(ccc1SC[C@@H](O)CO)C 62a_100009815848_200010709736 [0,2,0,0,0,0|1,1,0]=4 18654 B15R1.13065 CSc1cc(ccc1SC[C@@H](O)CO)C 62a_200010709736_100009815848 [0,2,0,0,0,0|1,1,0]=4 18655 B15R1.13065 C[C@@H](CO)CNc1ccc(cc1C#N)Cl 7a_100011219925_100000059175 [0,2,0,0,0,0|2,0,0]=4 18656 B15R1.13065 C[C@@H](CO)CNc1ccc(cc1CO)Cl 34a_100011214999_100000059175 [0,2,0,0,0,0|2,0,0]=4 18657 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Br 34a_100000687585_100000059175 [0,2,0,0,0,0|1,1,0]=4 18658 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Br 7a_100000687585_100000059175 [0,2,0,0,0,0|1,1,0]=4 18659 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Cl 34a_100011219380_100000059175 [0,2,0,0,0,0|1,0,0]=3 18660 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)Cl 7a_100011219380_100000059175 [0,2,0,0,0,0|1,0,0]=3 18661 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)F 34a_100011900173_100000059175 [0,2,0,0,0,0|1,1,0]=4 18662 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)F 7a_100011900173_100000059175 [0,2,0,0,0,0|1,1,0]=4 18663 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)I 34a_200000049958_100000059175 [0,2,0,0,0,0|1,1,0]=4 18664 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)I 7a_200000049958_100000059175 [0,2,0,0,0,0|1,1,0]=4 18665 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)N 34a_100011249283_100000059175 [0,2,0,0,0,0|2,0,0]=4 18666 B15R1.13065 C[C@@H](CO)COc1ccc(cc1C#N)N 7a_100011249283_100000059175 [0,2,0,0,0,0|2,0,0]=4 18667 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CBr)F 34a_100010161318_100000059175 [0,2,0,0,0,0|1,1,0]=4 18668 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CBr)F 7a_100010161318_100000059175 [0,2,0,0,0,0|1,1,0]=4 18669 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CN)Br 34a_100000730032_100000059175 [0,2,0,0,0,0|1,1,0]=4 18670 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CN)Cl 34a_100000238540_100000059175 [0,2,0,0,0,0|1,0,0]=3 18671 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Br 34a_100000184703_100000059175 [0,2,0,0,0,0|1,1,0]=4 18672 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Br 7a_100000184703_100000059175 [0,2,0,0,0,0|1,1,0]=4 18673 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Cl 34a_100011218961_100000059175 [0,2,0,0,0,0|1,0,0]=3 18674 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)Cl 7a_100011218961_100000059175 [0,2,0,0,0,0|1,0,0]=3 18675 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)F 34a_100011291448_100000059175 [0,2,0,0,0,0|1,1,0]=4 18676 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)F 7a_100011291448_100000059175 [0,2,0,0,0,0|1,1,0]=4 18677 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)I 34a_100000049520_100000059175 [0,2,0,0,0,0|1,1,0]=4 18678 B15R1.13065 C[C@@H](CO)COc1ccc(cc1CO)I 7a_100000049520_100000059175 [0,2,0,0,0,0|1,1,0]=4 18679 B15R1.13065 C[C@@H](CO)CSc1ccc(cc1C#N)Cl 62a_100000059175_200011356825 [0,2,0,0,0,0|1,1,0]=4 18680 B15R1.13065 C[C@@H](CO)CSc1ccc(cc1C=O)Cl 62a_100000059175_100010254386 [0,2,0,0,0,0|1,1,0]=4 18681 B15R1.13065 C[C@@H](CO)CSc1ccc(cc1C=O)Cl 62a_100010254386_100000059175 [0,2,0,0,0,0|1,1,0]=4 18682 B15R1.13065 Cc1ccc(c(c1)C#N)NCC(O)CO 7a_100011934023_100011219619 [0,2,0,0,0,0|2,0,0]=4 18683 B15R1.13065 Cc1ccc(c(c1)C#N)NC[C@@H](O)CO 7a_100011934023_100009815848 [0,2,0,0,0,0|2,0,0]=4 18684 B15R1.13065 Cc1ccc(c(c1)C#N)OCC(O)CO 34a_200012180384_100011219619 [0,2,0,0,0,0|1,0,0]=3 18685 B15R1.13065 Cc1ccc(c(c1)C#N)OCC(O)CO 7a_200012180384_100011219619 [0,2,0,0,0,0|1,0,0]=3 18686 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](C)CO 34a_200012180384_100000059175 [0,2,0,0,0,0|2,0,0]=4 18687 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](C)CO 7a_200012180384_100000059175 [0,2,0,0,0,0|2,0,0]=4 18688 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CF 34a_200012180384_100015614560 [0,2,0,0,0,0|2,0,0]=4 18689 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CF 7a_200012180384_100015614560 [0,2,0,0,0,0|2,0,0]=4 18690 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CO 34a_200012180384_100009815848 [0,2,0,0,0,0|1,0,0]=3 18691 B15R1.13065 Cc1ccc(c(c1)C#N)OC[C@@H](O)CO 7a_200012180384_100009815848 [0,2,0,0,0,0|1,0,0]=3 18692 B15R1.13065 Cc1ccc(c(c1)C#N)SCC(O)CO 62a_100011219619_100011935190 [0,2,0,0,0,0|1,1,0]=4 18693 B15R1.13065 Cc1ccc(c(c1)C#N)SC[C@@H](O)CO 62a_100009815848_100011935190 [0,2,0,0,0,0|1,1,0]=4 18694 B15R1.13065 Cc1ccc(c(c1)C=O)SCC(O)CO 62a_100011219619_100011551863 [0,2,0,0,0,0|1,1,0]=4 18695 B15R1.13065 Cc1ccc(c(c1)C=O)SCC(O)CO 62a_100011551863_100011219619 [0,2,0,0,0,0|1,1,0]=4 18696 B15R1.13065 Cc1ccc(c(c1)C=O)SC[C@@H](O)CO 62a_100009815848_100011551863 [0,2,0,0,0,0|1,1,0]=4 18697 B15R1.13065 Cc1ccc(c(c1)C=O)SC[C@@H](O)CO 62a_100011551863_100009815848 [0,2,0,0,0,0|1,1,0]=4 18698 B15R1.13065 Cc1ccc(c(c1)CO)NCC(O)CO 34a_100011215565_100011219619 [0,2,0,0,0,0|2,0,0]=4 18699 B15R1.13065 Cc1ccc(c(c1)CO)NC[C@@H](O)CO 34a_100011215565_100009815848 [0,2,0,0,0,0|2,0,0]=4 18700 B15R1.13065 Cc1ccc(c(c1)CO)OCC(O)CO 34a_200011846009_100011219619 [0,2,0,0,0,0|1,0,0]=3 18701 B15R1.13065 Cc1ccc(c(c1)CO)OCC(O)CO 7a_200011846009_100011219619 [0,2,0,0,0,0|1,0,0]=3 18702 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](C)CO 34a_200011846009_100000059175 [0,2,0,0,0,0|2,0,0]=4 18703 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](C)CO 7a_200011846009_100000059175 [0,2,0,0,0,0|2,0,0]=4 18704 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CF 34a_200011846009_100015614560 [0,2,0,0,0,0|2,0,0]=4 18705 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CF 7a_200011846009_100015614560 [0,2,0,0,0,0|2,0,0]=4 18706 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CO 34a_200011846009_100009815848 [0,2,0,0,0,0|1,0,0]=3 18707 B15R1.13065 Cc1ccc(c(c1)CO)OC[C@@H](O)CO 7a_200011846009_100009815848 [0,2,0,0,0,0|1,0,0]=3 18708 B15R1.13065 Cc1ccc(c(c1)CO)SCC(O)CO 62a_100011219619_100012361352 [0,2,0,0,0,0|1,1,0]=4 18709 B15R1.13065 Cc1ccc(c(c1)CO)SCC(O)CO 62a_100012361352_100011219619 [0,2,0,0,0,0|1,1,0]=4 18710 B15R1.13065 Cc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100009815848_100012361352 [0,2,0,0,0,0|1,1,0]=4 18711 B15R1.13065 Cc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100012361352_100009815848 [0,2,0,0,0,0|1,1,0]=4 18712 B15R1.13065 Cc1ccc(c(n1)CCl)OCC(O)CO 34a_100020630696_100011219619 [0,2,0,0,0,0|2,0,0]=4 18713 B15R1.13065 Cc1ccc(c(n1)CCl)OCC(O)CO 7a_100020630696_100011219619 [0,2,0,0,0,0|2,0,0]=4 18714 B15R1.13065 Cc1ccc(c(n1)CCl)OC[C@@H](O)CO 34a_100020630696_100009815848 [0,2,0,0,0,0|2,0,0]=4 18715 B15R1.13065 Cc1ccc(c(n1)CCl)OC[C@@H](O)CO 7a_100020630696_100009815848 [0,2,0,0,0,0|2,0,0]=4 18716 B15R1.13065 Cc1ccc(c(n1)CO)OCC(O)CO 34a_100000751967_100011219619 [0,2,0,0,0,0|2,0,0]=4 18717 B15R1.13065 Cc1ccc(c(n1)CO)OC[C@@H](O)CO 34a_100000751967_100009815848 [0,2,0,0,0,0|2,0,0]=4 18718 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)Br 7a_100000688460_100011219619 [0,2,0,0,0,0|1,1,0]=4 18719 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)Cl 7a_100011219925_100011219619 [0,2,0,0,0,0|1,0,0]=3 18720 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)F 34a_100000685569_100011219619 [0,2,0,0,0,0|1,1,0]=4 18721 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)F 7a_100000685569_100011219619 [0,2,0,0,0,0|1,1,0]=4 18722 B15R1.13065 N#Cc1cc(ccc1NCC(O)CO)I 7a_100000049818_100011219619 [0,2,0,0,0,0|1,1,0]=4 18723 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CF)Cl 7a_100011219925_100015614560 [0,2,0,0,0,0|2,0,0]=4 18724 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)Br 7a_100000688460_100009815848 [0,2,0,0,0,0|1,1,0]=4 18725 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)Cl 7a_100011219925_100009815848 [0,2,0,0,0,0|1,0,0]=3 18726 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)F 34a_100000685569_100009815848 [0,2,0,0,0,0|1,1,0]=4 18727 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)F 7a_100000685569_100009815848 [0,2,0,0,0,0|1,1,0]=4 18728 B15R1.13065 N#Cc1cc(ccc1NC[C@@H](O)CO)I 7a_100000049818_100009815848 [0,2,0,0,0,0|1,1,0]=4 18729 B15R1.13065 N#Cc1cc(ccc1NC[C@H](O)CO)Br 27a_100020644852_100011219714 [0,2,0,0,0,0|1,1,0]=4 18730 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Br 34a_100000687585_100011219619 [0,2,0,0,0,0|0,1,0]=3 18731 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Br 7a_100000687585_100011219619 [0,2,0,0,0,0|0,1,0]=3 18732 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Cl 34a_100011219380_100011219619 [0,2,0,0,0,0|0,0,0]=2 18733 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)Cl 7a_100011219380_100011219619 [0,2,0,0,0,0|0,0,0]=2 18734 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)F 34a_100011900173_100011219619 [0,2,0,0,0,0|0,1,0]=3 18735 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)F 7a_100011900173_100011219619 [0,2,0,0,0,0|0,1,0]=3 18736 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)I 34a_200000049958_100011219619 [0,2,0,0,0,0|0,1,0]=3 18737 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)I 7a_200000049958_100011219619 [0,2,0,0,0,0|0,1,0]=3 18738 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)N 34a_100011249283_100011219619 [0,2,0,0,0,0|1,0,0]=3 18739 B15R1.13065 N#Cc1cc(ccc1OCC(O)CO)N 7a_100011249283_100011219619 [0,2,0,0,0,0|1,0,0]=3 18740 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000687585_100015614560 [0,2,0,0,0,0|1,1,0]=4 18741 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000687585_100015614560 [0,2,0,0,0,0|1,1,0]=4 18742 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100011219380_100015614560 [0,2,0,0,0,0|1,0,0]=3 18743 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100011219380_100015614560 [0,2,0,0,0,0|1,0,0]=3 18744 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)F 34a_100011900173_100015614560 [0,2,0,0,0,0|1,1,0]=4 18745 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)F 7a_100011900173_100015614560 [0,2,0,0,0,0|1,1,0]=4 18746 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)I 34a_200000049958_100015614560 [0,2,0,0,0,0|1,1,0]=4 18747 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)I 7a_200000049958_100015614560 [0,2,0,0,0,0|1,1,0]=4 18748 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)N 34a_100011249283_100015614560 [0,2,0,0,0,0|2,0,0]=4 18749 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CF)N 7a_100011249283_100015614560 [0,2,0,0,0,0|2,0,0]=4 18750 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000687585_100009815848 [0,2,0,0,0,0|0,1,0]=3 18751 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000687585_100009815848 [0,2,0,0,0,0|0,1,0]=3 18752 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100011219380_100009815848 [0,2,0,0,0,0|0,0,0]=2 18753 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100011219380_100009815848 [0,2,0,0,0,0|0,0,0]=2 18754 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)F 34a_100011900173_100009815848 [0,2,0,0,0,0|0,1,0]=3 18755 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)F 7a_100011900173_100009815848 [0,2,0,0,0,0|0,1,0]=3 18756 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)I 34a_200000049958_100009815848 [0,2,0,0,0,0|0,1,0]=3 18757 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)I 7a_200000049958_100009815848 [0,2,0,0,0,0|0,1,0]=3 18758 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)N 34a_100011249283_100009815848 [0,2,0,0,0,0|1,0,0]=3 18759 B15R1.13065 N#Cc1cc(ccc1OC[C@@H](O)CO)N 7a_100011249283_100009815848 [0,2,0,0,0,0|1,0,0]=3 18760 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100011219714 [0,2,0,0,0,0|0,2,0]=4 18761 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_200011356825 [0,2,0,0,0,0|0,1,0]=3 18762 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000747550 [0,2,0,0,0,0|0,2,0]=4 18763 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)N 62a_100011219619_100011934039 [0,2,0,0,0,0|1,1,0]=4 18764 B15R1.13065 N#Cc1cc(ccc1SCC(O)CO)O 62a_100011219619_100009818209 [0,2,0,0,0,0|1,1,0]=4 18765 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_200011356825 [0,2,0,0,0,0|1,1,0]=4 18766 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100011219714 [0,2,0,0,0,0|0,2,0]=4 18767 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_200011356825 [0,2,0,0,0,0|0,1,0]=3 18768 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000747550 [0,2,0,0,0,0|0,2,0]=4 18769 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)N 62a_100009815848_100011934039 [0,2,0,0,0,0|1,1,0]=4 18770 B15R1.13065 N#Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100009818209 [0,2,0,0,0,0|1,1,0]=4 18771 B15R1.13065 NCc1cc(ccc1OCC(O)CO)Br 34a_100000730032_100011219619 [0,2,0,0,0,0|0,1,0]=3 18772 B15R1.13065 NCc1cc(ccc1OCC(O)CO)Cl 34a_100000238540_100011219619 [0,2,0,0,0,0|0,0,0]=2 18773 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000730032_100015614560 [0,2,0,0,0,0|1,1,0]=4 18774 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100000238540_100015614560 [0,2,0,0,0,0|1,0,0]=3 18775 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000730032_100009815848 [0,2,0,0,0,0|0,1,0]=3 18776 B15R1.13065 NCc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100000238540_100009815848 [0,2,0,0,0,0|0,0,0]=2 18777 B15R1.13065 NCc1cc(ccc1SCC(O)CO)F 62a_100000742738_100011219619 [0,2,0,0,0,0|0,2,0]=4 18778 B15R1.13065 NCc1cc(ccc1SCC(O)CO)F 62a_100011219619_100000742738 [0,2,0,0,0,0|0,2,0]=4 18779 B15R1.13065 NCc1cc(ccc1SC[C@@H](O)CO)F 62a_100000742738_100009815848 [0,2,0,0,0,0|0,2,0]=4 18780 B15R1.13065 NCc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100000742738 [0,2,0,0,0,0|0,2,0]=4 18781 B15R1.13065 NNc1cc(ccc1SCC(O)CO)F 62a_100011219619_100012362518 [0,2,0,0,0,0|0,2,0]=4 18782 B15R1.13065 NNc1cc(ccc1SCC(O)CO)F 62a_100012362518_100011219619 [0,2,0,0,0,0|0,2,0]=4 18783 B15R1.13065 NNc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100012362518 [0,2,0,0,0,0|0,2,0]=4 18784 B15R1.13065 NNc1cc(ccc1SC[C@@H](O)CO)F 62a_100012362518_100009815848 [0,2,0,0,0,0|0,2,0]=4 18785 B15R1.13065 Nc1ccc(c(c1)CO)SCC(O)CO 62a_100011219619_100012347228 [0,2,0,0,0,0|1,1,0]=4 18786 B15R1.13065 Nc1ccc(c(c1)CO)SCC(O)CO 62a_100012347228_100011219619 [0,2,0,0,0,0|1,1,0]=4 18787 B15R1.13065 Nc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100009815848_100012347228 [0,2,0,0,0,0|1,1,0]=4 18788 B15R1.13065 Nc1ccc(c(c1)CO)SC[C@@H](O)CO 62a_100012347228_100009815848 [0,2,0,0,0,0|1,1,0]=4 18789 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Br 62a_100010185651_100011219619 [0,2,0,0,0,0|0,2,0]=4 18790 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100010185651 [0,2,0,0,0,0|0,2,0]=4 18791 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Cl 62a_100010254386_100011219619 [0,2,0,0,0,0|0,1,0]=3 18792 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)Cl 62a_100011219619_100010254386 [0,2,0,0,0,0|0,1,0]=3 18793 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)F 62a_100011218309_100011219619 [0,2,0,0,0,0|0,2,0]=4 18794 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)F 62a_100011219619_100011218309 [0,2,0,0,0,0|0,2,0]=4 18795 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)O 62a_100000690577_100011219619 [0,2,0,0,0,0|1,1,0]=4 18796 B15R1.13065 O=Cc1cc(ccc1SCC(O)CO)O 62a_100011219619_100000690577 [0,2,0,0,0,0|1,1,0]=4 18797 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100010254386_100015614560 [0,2,0,0,0,0|1,1,0]=4 18798 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CF)Cl 62a_100015614560_100010254386 [0,2,0,0,0,0|1,1,0]=4 18799 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100010185651 [0,2,0,0,0,0|0,2,0]=4 18800 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Br 62a_100010185651_100009815848 [0,2,0,0,0,0|0,2,0]=4 18801 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100009815848_100010254386 [0,2,0,0,0,0|0,1,0]=3 18802 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)Cl 62a_100010254386_100009815848 [0,2,0,0,0,0|0,1,0]=3 18803 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100011218309 [0,2,0,0,0,0|0,2,0]=4 18804 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)F 62a_100011218309_100009815848 [0,2,0,0,0,0|0,2,0]=4 18805 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100000690577_100009815848 [0,2,0,0,0,0|1,1,0]=4 18806 B15R1.13065 O=Cc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100000690577 [0,2,0,0,0,0|1,1,0]=4 18807 B15R1.13065 OCC(O)COc1ccc(cc1CBr)F 34a_100010161318_100011219619 [0,2,0,0,0,0|0,1,0]=3 18808 B15R1.13065 OCC(O)COc1ccc(cc1CBr)F 7a_100010161318_100011219619 [0,2,0,0,0,0|0,1,0]=3 18809 B15R1.13065 OC[C@H](O)COc1ccc(cc1CBr)F 34a_100010161318_100009815848 [0,2,0,0,0,0|0,1,0]=3 18810 B15R1.13065 OC[C@H](O)COc1ccc(cc1CBr)F 7a_100010161318_100009815848 [0,2,0,0,0,0|0,1,0]=3 18811 B15R1.13065 OCc1cc(ccc1NCC(O)CO)Br 34a_100012353972_100011219619 [0,2,0,0,0,0|1,1,0]=4 18812 B15R1.13065 OCc1cc(ccc1NCC(O)CO)Cl 34a_100011214999_100011219619 [0,2,0,0,0,0|1,0,0]=3 18813 B15R1.13065 OCc1cc(ccc1NCC(O)CO)F 34a_100011296978_100011219619 [0,2,0,0,0,0|1,1,0]=4 18814 B15R1.13065 OCc1cc(ccc1NC[C@@H](O)CF)Cl 34a_100011214999_100015614560 [0,2,0,0,0,0|2,0,0]=4 18815 B15R1.13065 OCc1cc(ccc1NC[C@@H](O)CO)Br 34a_100012353972_100009815848 [0,2,0,0,0,0|1,1,0]=4 18816 B15R1.13065 OCc1cc(ccc1NC[C@@H](O)CO)Cl 34a_100011214999_100009815848 [0,2,0,0,0,0|1,0,0]=3 18817 B15R1.13065 OCc1cc(ccc1NC[C@@H](O)CO)F 34a_100011296978_100009815848 [0,2,0,0,0,0|1,1,0]=4 18818 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Br 34a_100000184703_100011219619 [0,2,0,0,0,0|0,1,0]=3 18819 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Br 7a_100000184703_100011219619 [0,2,0,0,0,0|0,1,0]=3 18820 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Cl 34a_100011218961_100011219619 [0,2,0,0,0,0|0,0,0]=2 18821 B15R1.13065 OCc1cc(ccc1OCC(O)CO)Cl 7a_100011218961_100011219619 [0,2,0,0,0,0|0,0,0]=2 18822 B15R1.13065 OCc1cc(ccc1OCC(O)CO)F 34a_100011291448_100011219619 [0,2,0,0,0,0|0,1,0]=3 18823 B15R1.13065 OCc1cc(ccc1OCC(O)CO)F 7a_100011291448_100011219619 [0,2,0,0,0,0|0,1,0]=3 18824 B15R1.13065 OCc1cc(ccc1OCC(O)CO)I 34a_100000049520_100011219619 [0,2,0,0,0,0|0,1,0]=3 18825 B15R1.13065 OCc1cc(ccc1OCC(O)CO)I 7a_100000049520_100011219619 [0,2,0,0,0,0|0,1,0]=3 18826 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Br 34a_100000184703_100015614560 [0,2,0,0,0,0|1,1,0]=4 18827 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Br 7a_100000184703_100015614560 [0,2,0,0,0,0|1,1,0]=4 18828 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Cl 34a_100011218961_100015614560 [0,2,0,0,0,0|1,0,0]=3 18829 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)Cl 7a_100011218961_100015614560 [0,2,0,0,0,0|1,0,0]=3 18830 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)F 34a_100011291448_100015614560 [0,2,0,0,0,0|1,1,0]=4 18831 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)F 7a_100011291448_100015614560 [0,2,0,0,0,0|1,1,0]=4 18832 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)I 34a_100000049520_100015614560 [0,2,0,0,0,0|1,1,0]=4 18833 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CF)I 7a_100000049520_100015614560 [0,2,0,0,0,0|1,1,0]=4 18834 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Br 34a_100000184703_100009815848 [0,2,0,0,0,0|0,1,0]=3 18835 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Br 7a_100000184703_100009815848 [0,2,0,0,0,0|0,1,0]=3 18836 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Cl 34a_100011218961_100009815848 [0,2,0,0,0,0|0,0,0]=2 18837 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)Cl 7a_100011218961_100009815848 [0,2,0,0,0,0|0,0,0]=2 18838 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)F 34a_100011291448_100009815848 [0,2,0,0,0,0|0,1,0]=3 18839 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)F 7a_100011291448_100009815848 [0,2,0,0,0,0|0,1,0]=3 18840 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)I 34a_100000049520_100009815848 [0,2,0,0,0,0|0,1,0]=3 18841 B15R1.13065 OCc1cc(ccc1OC[C@@H](O)CO)I 7a_100000049520_100009815848 [0,2,0,0,0,0|0,1,0]=3 18842 B15R1.13065 OCc1cc(ccc1SCC(O)CO)Br 62a_100011219619_100011356890 [0,2,0,0,0,0|0,2,0]=4 18843 B15R1.13065 OCc1cc(ccc1SCC(O)CO)Br 62a_100011356890_100011219619 [0,2,0,0,0,0|0,2,0]=4 18844 B15R1.13065 OCc1cc(ccc1SCC(O)CO)F 62a_100011217561_100011219619 [0,2,0,0,0,0|0,2,0]=4 18845 B15R1.13065 OCc1cc(ccc1SCC(O)CO)F 62a_100011219619_100011217561 [0,2,0,0,0,0|0,2,0]=4 18846 B15R1.13065 OCc1cc(ccc1SCC(O)CO)O 62a_100011219619_100012351483 [0,2,0,0,0,0|1,1,0]=4 18847 B15R1.13065 OCc1cc(ccc1SCC(O)CO)O 62a_100012351483_100011219619 [0,2,0,0,0,0|1,1,0]=4 18848 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100009815848_100011356890 [0,2,0,0,0,0|0,2,0]=4 18849 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)Br 62a_100011356890_100009815848 [0,2,0,0,0,0|0,2,0]=4 18850 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)F 62a_100009815848_100011217561 [0,2,0,0,0,0|0,2,0]=4 18851 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)F 62a_100011217561_100009815848 [0,2,0,0,0,0|0,2,0]=4 18852 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)O 62a_100009815848_100012351483 [0,2,0,0,0,0|1,1,0]=4 18853 B15R1.13065 OCc1cc(ccc1SC[C@@H](O)CO)O 62a_100012351483_100009815848 [0,2,0,0,0,0|1,1,0]=4 18854 B15R1.13065 O[C@@H](CF)COc1ccc(cc1CBr)F 34a_100010161318_100015614560 [0,2,0,0,0,0|1,1,0]=4 18855 B15R1.13065 O[C@@H](CF)COc1ccc(cc1CBr)F 7a_100010161318_100015614560 [0,2,0,0,0,0|1,1,0]=4 18856 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000730141 [0,2,0,0,0,0|1,0,1]=4 18857 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000730141 [0,2,0,0,0,0|1,0,1]=4 18858 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100000730141 [0,2,0,0,0,0|1,0,1]=4 18859 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100000730141 [0,2,0,0,0,0|1,0,1]=4 18860 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000730141 [0,2,0,0,0,0|1,0,1]=4 18861 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000730141 [0,2,0,0,0,0|1,0,1]=4 18862 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100000730141 [0,2,0,0,0,0|1,0,1]=4 18863 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100000730141 [0,2,0,0,0,0|1,0,1]=4 18864 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)N 34a_106741647128_100000730141 [0,2,0,0,0,0|1,0,1]=4 18865 B15R1.38791 C=CC(O)COc1c(cc(cc1Br)Cl)N 7a_106741647128_100000730141 [0,2,0,0,0,0|1,0,1]=4 18866 B15R1.38791 C=CC(O)COc1c(cc(cc1C)Cl)C 34a_100000211519_100000730141 [0,2,0,0,0,0|1,0,1]=4 18867 B15R1.38791 C=CC(O)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000730141 [0,2,0,0,0,0|1,0,1]=4 18868 B15R1.38791 C=CC(O)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000730141 [0,2,0,0,0,0|1,0,1]=4 18869 B15R1.38791 C=CC(O)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000730141 [0,2,0,0,0,0|1,0,1]=4 18870 B15R1.38791 C=CC(O)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000730141 [0,2,0,0,0,0|1,0,1]=4 18871 B15R1.38791 C=CC(O)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000730141 [0,2,0,0,0,0|1,0,1]=4 18872 B15R1.38791 C=CC(O)COc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000730141 [0,2,0,0,0,0|1,0,1]=4 18873 B15R1.38791 C=CC(O)COc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000730141 [0,2,0,0,0,0|1,0,1]=4 18874 B15R1.38791 C=CC(O)COc1c(cc(cc1F)Cl)F 34a_100011830429_100000730141 [0,2,0,0,0,0|1,0,1]=4 18875 B15R1.38791 C=CC(O)COc1c(cc(cc1F)Cl)F 7a_100011830429_100000730141 [0,2,0,0,0,0|1,0,1]=4 18876 B15R1.38791 C=CC(O)COc1c(cc(cc1I)Cl)C 34a_100012343667_100000730141 [0,2,0,0,0,0|1,0,1]=4 18877 B15R1.38791 C=CC(O)COc1c(cc(cc1I)Cl)C 7a_100012343667_100000730141 [0,2,0,0,0,0|1,0,1]=4 18878 B15R1.38791 C=CC(O)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000730141 [0,2,0,0,0,0|1,0,1]=4 18879 B15R1.38791 C=CC(O)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000730141 [0,2,0,0,0,0|1,0,1]=4 18880 B15R1.38791 C=CC(O)COc1c(cc(cc1I)Cl)I 7a_100000730656_100000730141 [0,2,0,0,0,0|1,0,1]=4 18881 B15R1.38791 CCC(C)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100000748023 [0,2,0,0,0,0|2,0,0]=4 18882 B15R1.38791 CCC(C)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100000748023 [0,2,0,0,0,0|2,0,0]=4 18883 B15R1.38791 CCC(C)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100000748023 [0,2,0,0,0,0|2,0,0]=4 18884 B15R1.38791 CCC(C)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100000748023 [0,2,0,0,0,0|2,0,0]=4 18885 B15R1.38791 CCC(C)COc1c(cc(cc1Br)Cl)N 34a_106741647128_100000748023 [0,2,0,0,0,0|2,0,0]=4 18886 B15R1.38791 CCC(C)COc1c(cc(cc1Br)Cl)N 7a_106741647128_100000748023 [0,2,0,0,0,0|2,0,0]=4 18887 B15R1.38791 CCC(C)COc1c(cc(cc1C)Cl)C 34a_100000211519_100000748023 [0,2,0,0,0,0|2,0,0]=4 18888 B15R1.38791 CCC(C)COc1c(cc(cc1C)Cl)C 7a_100000211519_100000748023 [0,2,0,0,0,0|2,0,0]=4 18889 B15R1.38791 CCC(C)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100000748023 [0,2,0,0,0,0|2,0,0]=4 18890 B15R1.38791 CCC(C)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100000748023 [0,2,0,0,0,0|2,0,0]=4 18891 B15R1.38791 CCC(C)COc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000748023 [0,2,0,0,0,0|2,0,0]=4 18892 B15R1.38791 CCC(C)COc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000748023 [0,2,0,0,0,0|2,0,0]=4 18893 B15R1.38791 CCC(C)COc1c(cc(cc1F)Cl)F 34a_100011830429_100000748023 [0,2,0,0,0,0|2,0,0]=4 18894 B15R1.38791 CCC(C)COc1c(cc(cc1F)Cl)F 7a_100011830429_100000748023 [0,2,0,0,0,0|2,0,0]=4 18895 B15R1.38791 CCC(C)COc1c(cc(cc1I)Cl)C 34a_100012343667_100000748023 [0,2,0,0,0,0|2,0,0]=4 18896 B15R1.38791 CCC(C)COc1c(cc(cc1I)Cl)C 7a_100012343667_100000748023 [0,2,0,0,0,0|2,0,0]=4 18897 B15R1.38791 CCC(C)COc1c(cc(cc1I)Cl)I 7a_100000730656_100000748023 [0,2,0,0,0,0|2,0,0]=4 18898 B15R1.38791 CCC(O)CNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100011218378 [0,2,0,0,0,0|2,0,0]=4 18899 B15R1.38791 CCC(O)CNc1c(cc(cc1Br)Cl)C 34a_100012353696_100011218378 [0,2,0,0,0,0|2,0,0]=4 18900 B15R1.38791 CCC(O)CNc1c(cc(cc1Br)Cl)C 7a_100012353696_100011218378 [0,2,0,0,0,0|2,0,0]=4 18901 B15R1.38791 CCC(O)CNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100011218378 [0,2,0,0,0,0|2,0,0]=4 18902 B15R1.38791 CCC(O)CNc1c(cc(cc1Br)Cl)F 34a_100011217455_100011218378 [0,2,0,0,0,0|2,0,0]=4 18903 B15R1.38791 CCC(O)CNc1c(cc(cc1C)Cl)C 34a_100000692879_100011218378 [0,2,0,0,0,0|2,0,0]=4 18904 B15R1.38791 CCC(O)CNc1c(cc(cc1C)Cl)C 7a_100000692879_100011218378 [0,2,0,0,0,0|2,0,0]=4 18905 B15R1.38791 CCC(O)CNc1c(cc(cc1Cl)Cl)C 34a_100011215104_100011218378 [0,2,0,0,0,0|2,0,0]=4 18906 B15R1.38791 CCC(O)CNc1c(cc(cc1Cl)Cl)C 7a_100011215104_100011218378 [0,2,0,0,0,0|2,0,0]=4 18907 B15R1.38791 CCC(O)CNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100011218378 [0,2,0,0,0,0|2,0,0]=4 18908 B15R1.38791 CCC(O)CNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100011218378 [0,2,0,0,0,0|2,0,0]=4 18909 B15R1.38791 CCC(O)CNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100011218378 [0,2,0,0,0,0|2,0,0]=4 18910 B15R1.38791 CCC(O)CNc1c(cc(cc1F)Cl)C 34a_100012017672_100011218378 [0,2,0,0,0,0|2,0,0]=4 18911 B15R1.38791 CCC(O)CNc1c(cc(cc1F)Cl)C 7a_100012017672_100011218378 [0,2,0,0,0,0|2,0,0]=4 18912 B15R1.38791 CCC(O)CNc1c(cc(cc1F)Cl)F 34a_100000695146_100011218378 [0,2,0,0,0,0|2,0,0]=4 18913 B15R1.38791 CCC(O)CNc1c(cc(cc1F)Cl)F 7a_100000695146_100011218378 [0,2,0,0,0,0|2,0,0]=4 18914 B15R1.38791 CCC(O)CNc1c(cc(cc1F)Cl)O 34a_100010883250_100011218378 [0,2,0,0,0,0|2,0,0]=4 18915 B15R1.38791 CCC(O)CNc1c(cc(cc1F)Cl)O 7a_100010883250_100011218378 [0,2,0,0,0,0|2,0,0]=4 18916 B15R1.38791 CCC(O)CNc1c(cc(cc1I)Cl)C 7a_100012344046_100011218378 [0,2,0,0,0,0|2,0,0]=4 18917 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)Br 34a_100000210219_100011218378 [0,2,0,0,0,0|1,1,0]=4 18918 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)Br 7a_100000210219_100011218378 [0,2,0,0,0,0|1,1,0]=4 18919 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)C 34a_100000186369_100011218378 [0,2,0,0,0,0|1,1,0]=4 18920 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)C 7a_100000186369_100011218378 [0,2,0,0,0,0|1,1,0]=4 18921 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100011218378 [0,2,0,0,0,0|1,1,0]=4 18922 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)Cl 7a_100012337755_100011218378 [0,2,0,0,0,0|1,1,0]=4 18923 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)F 34a_100011216695_100011218378 [0,2,0,0,0,0|1,1,0]=4 18924 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)F 7a_100011216695_100011218378 [0,2,0,0,0,0|1,1,0]=4 18925 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)N 34a_100010781877_100011218378 [0,2,0,0,0,0|1,1,0]=4 18926 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Br)N 7a_100010781877_100011218378 [0,2,0,0,0,0|1,1,0]=4 18927 B15R1.38791 CCC(O)COc1c(cc(cc1Br)C)Br 34a_100000203795_100011218378 [0,2,0,0,0,0|2,0,0]=4 18928 B15R1.38791 CCC(O)COc1c(cc(cc1Br)C)Br 7a_100000203795_100011218378 [0,2,0,0,0,0|2,0,0]=4 18929 B15R1.38791 CCC(O)COc1c(cc(cc1Br)C)C 34a_100011934984_100011218378 [0,2,0,0,0,0|2,0,0]=4 18930 B15R1.38791 CCC(O)COc1c(cc(cc1Br)C)C 7a_100011934984_100011218378 [0,2,0,0,0,0|2,0,0]=4 18931 B15R1.38791 CCC(O)COc1c(cc(cc1Br)C)F 34a_200010713133_100011218378 [0,2,0,0,0,0|2,0,0]=4 18932 B15R1.38791 CCC(O)COc1c(cc(cc1Br)C)F 7a_200010713133_100011218378 [0,2,0,0,0,0|2,0,0]=4 18933 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100011218378 [0,2,0,0,0,0|1,0,0]=3 18934 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100011218378 [0,2,0,0,0,0|1,0,0]=3 18935 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100011218378 [0,2,0,0,0,0|1,0,0]=3 18936 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100011218378 [0,2,0,0,0,0|1,0,0]=3 18937 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100011218378 [0,2,0,0,0,0|1,0,0]=3 18938 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100011218378 [0,2,0,0,0,0|1,0,0]=3 18939 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100011218378 [0,2,0,0,0,0|1,0,0]=3 18940 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100011218378 [0,2,0,0,0,0|1,0,0]=3 18941 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)N 34a_106741647128_100011218378 [0,2,0,0,0,0|1,0,0]=3 18942 B15R1.38791 CCC(O)COc1c(cc(cc1Br)Cl)N 7a_106741647128_100011218378 [0,2,0,0,0,0|1,0,0]=3 18943 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)Br 34a_100011215434_100011218378 [0,2,0,0,0,0|1,1,0]=4 18944 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)Br 7a_100011215434_100011218378 [0,2,0,0,0,0|1,1,0]=4 18945 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)Cl 34a_100011830411_100011218378 [0,2,0,0,0,0|1,1,0]=4 18946 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)Cl 7a_100011830411_100011218378 [0,2,0,0,0,0|1,1,0]=4 18947 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)F 34a_100000688693_100011218378 [0,2,0,0,0,0|1,1,0]=4 18948 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)F 7a_100000688693_100011218378 [0,2,0,0,0,0|1,1,0]=4 18949 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)N 34a_200011217456_100011218378 [0,2,0,0,0,0|1,1,0]=4 18950 B15R1.38791 CCC(O)COc1c(cc(cc1Br)F)N 7a_200011217456_100011218378 [0,2,0,0,0,0|1,1,0]=4 18951 B15R1.38791 CCC(O)COc1c(cc(cc1Br)I)C 34a_100010982682_100011218378 [0,2,0,0,0,0|1,1,0]=4 18952 B15R1.38791 CCC(O)COc1c(cc(cc1Br)I)C 7a_100010982682_100011218378 [0,2,0,0,0,0|1,1,0]=4 18953 B15R1.38791 CCC(O)COc1c(cc(cc1Br)N)Br 34a_200000186426_100011218378 [0,2,0,0,0,0|2,0,0]=4 18954 B15R1.38791 CCC(O)COc1c(cc(cc1Br)N)C 34a_100010064301_100011218378 [0,2,0,0,0,0|2,0,0]=4 18955 B15R1.38791 CCC(O)COc1c(cc(cc1Br)N)C 7a_100010064301_100011218378 [0,2,0,0,0,0|2,0,0]=4 18956 B15R1.38791 CCC(O)COc1c(cc(cc1C)Br)C 34a_100000187306_100011218378 [0,2,0,0,0,0|1,1,0]=4 18957 B15R1.38791 CCC(O)COc1c(cc(cc1C)Br)C 7a_100000187306_100011218378 [0,2,0,0,0,0|1,1,0]=4 18958 B15R1.38791 CCC(O)COc1c(cc(cc1C)C)C 34a_100000212074_100011218378 [0,2,0,0,0,0|2,0,0]=4 18959 B15R1.38791 CCC(O)COc1c(cc(cc1C)C)C 7a_100000212074_100011218378 [0,2,0,0,0,0|2,0,0]=4 18960 B15R1.38791 CCC(O)COc1c(cc(cc1C)Cl)C 34a_100000211519_100011218378 [0,2,0,0,0,0|1,0,0]=3 18961 B15R1.38791 CCC(O)COc1c(cc(cc1C)Cl)C 7a_100000211519_100011218378 [0,2,0,0,0,0|1,0,0]=3 18962 B15R1.38791 CCC(O)COc1c(cc(cc1C)F)C 34a_100000081862_100011218378 [0,2,0,0,0,0|1,1,0]=4 18963 B15R1.38791 CCC(O)COc1c(cc(cc1C)F)C 7a_100000081862_100011218378 [0,2,0,0,0,0|1,1,0]=4 18964 B15R1.38791 CCC(O)COc1c(cc(cc1C)I)C 34a_100011216129_100011218378 [0,2,0,0,0,0|1,1,0]=4 18965 B15R1.38791 CCC(O)COc1c(cc(cc1C)I)C 7a_100011216129_100011218378 [0,2,0,0,0,0|1,1,0]=4 18966 B15R1.38791 CCC(O)COc1c(cc(cc1C)N)C 34a_100000703291_100011218378 [0,2,0,0,0,0|2,0,0]=4 18967 B15R1.38791 CCC(O)COc1c(cc(cc1C)N)C 7a_100000703291_100011218378 [0,2,0,0,0,0|2,0,0]=4 18968 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)C 34a_100000211485_100011218378 [0,2,0,0,0,0|1,1,0]=4 18969 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)C 7a_100000211485_100011218378 [0,2,0,0,0,0|1,1,0]=4 18970 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100011218378 [0,2,0,0,0,0|1,1,0]=4 18971 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100011218378 [0,2,0,0,0,0|1,1,0]=4 18972 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)F 34a_100011216646_100011218378 [0,2,0,0,0,0|1,1,0]=4 18973 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)F 7a_100011216646_100011218378 [0,2,0,0,0,0|1,1,0]=4 18974 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)N 34a_100000694353_100011218378 [0,2,0,0,0,0|1,1,0]=4 18975 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Br)N 7a_100000694353_100011218378 [0,2,0,0,0,0|1,1,0]=4 18976 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)C)Cl 34a_100000034925_100011218378 [0,2,0,0,0,0|2,0,0]=4 18977 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)C)Cl 7a_100000034925_100011218378 [0,2,0,0,0,0|2,0,0]=4 18978 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100011218378 [0,2,0,0,0,0|1,0,0]=3 18979 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100011218378 [0,2,0,0,0,0|1,0,0]=3 18980 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100011218378 [0,2,0,0,0,0|1,0,0]=3 18981 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100011218378 [0,2,0,0,0,0|1,0,0]=3 18982 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Cl)N 34a_100000695819_100011218378 [0,2,0,0,0,0|1,0,0]=3 18983 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)Cl)N 7a_100000695819_100011218378 [0,2,0,0,0,0|1,0,0]=3 18984 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100011218378 [0,2,0,0,0,0|1,1,0]=4 18985 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)F)Cl 7a_100011217724_100011218378 [0,2,0,0,0,0|1,1,0]=4 18986 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)F)F 34a_100011935252_100011218378 [0,2,0,0,0,0|1,1,0]=4 18987 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)F)F 7a_100011935252_100011218378 [0,2,0,0,0,0|1,1,0]=4 18988 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)I)C 34a_200015900153_100011218378 [0,2,0,0,0,0|1,1,0]=4 18989 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)I)C 7a_200015900153_100011218378 [0,2,0,0,0,0|1,1,0]=4 18990 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)I)Cl 7a_100012339652_100011218378 [0,2,0,0,0,0|1,1,0]=4 18991 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)N)Cl 34a_100000695418_100011218378 [0,2,0,0,0,0|2,0,0]=4 18992 B15R1.38791 CCC(O)COc1c(cc(cc1Cl)N)Cl 7a_100000695418_100011218378 [0,2,0,0,0,0|2,0,0]=4 18993 B15R1.38791 CCC(O)COc1c(cc(cc1F)Br)F 34a_100011216917_100011218378 [0,2,0,0,0,0|1,1,0]=4 18994 B15R1.38791 CCC(O)COc1c(cc(cc1F)Br)F 7a_100011216917_100011218378 [0,2,0,0,0,0|1,1,0]=4 18995 B15R1.38791 CCC(O)COc1c(cc(cc1F)Br)N 34a_100011217383_100011218378 [0,2,0,0,0,0|1,1,0]=4 18996 B15R1.38791 CCC(O)COc1c(cc(cc1F)Br)N 7a_100011217383_100011218378 [0,2,0,0,0,0|1,1,0]=4 18997 B15R1.38791 CCC(O)COc1c(cc(cc1F)Cl)F 34a_100011830429_100011218378 [0,2,0,0,0,0|1,0,0]=3 18998 B15R1.38791 CCC(O)COc1c(cc(cc1F)Cl)F 7a_100011830429_100011218378 [0,2,0,0,0,0|1,0,0]=3 18999 B15R1.38791 CCC(O)COc1c(cc(cc1F)F)F 34a_100011218396_100011218378 [0,2,0,0,0,0|1,1,0]=4 19000 B15R1.38791 CCC(O)COc1c(cc(cc1F)F)F 7a_100011218396_100011218378 [0,2,0,0,0,0|1,1,0]=4 19001 B15R1.38791 CCC(O)COc1c(cc(cc1F)F)N 34a_100015205836_100011218378 [0,2,0,0,0,0|1,1,0]=4 19002 B15R1.38791 CCC(O)COc1c(cc(cc1F)F)N 7a_100015205836_100011218378 [0,2,0,0,0,0|1,1,0]=4 19003 B15R1.38791 CCC(O)COc1c(cc(cc1F)I)F 34a_200011830255_100011218378 [0,2,0,0,0,0|1,1,0]=4 19004 B15R1.38791 CCC(O)COc1c(cc(cc1F)I)F 7a_200011830255_100011218378 [0,2,0,0,0,0|1,1,0]=4 19005 B15R1.38791 CCC(O)COc1c(cc(cc1F)N)F 34a_100016987357_100011218378 [0,2,0,0,0,0|2,0,0]=4 19006 B15R1.38791 CCC(O)COc1c(cc(cc1F)N)F 7a_100016987357_100011218378 [0,2,0,0,0,0|2,0,0]=4 19007 B15R1.38791 CCC(O)COc1c(cc(cc1I)Br)F 34a_100013354677_100011218378 [0,2,0,0,0,0|1,1,0]=4 19008 B15R1.38791 CCC(O)COc1c(cc(cc1I)Br)F 7a_100013354677_100011218378 [0,2,0,0,0,0|1,1,0]=4 19009 B15R1.38791 CCC(O)COc1c(cc(cc1I)Br)I 7a_100009997433_100011218378 [0,2,0,0,0,0|1,1,0]=4 19010 B15R1.38791 CCC(O)COc1c(cc(cc1I)Br)N 7a_100016071998_100011218378 [0,2,0,0,0,0|1,1,0]=4 19011 B15R1.38791 CCC(O)COc1c(cc(cc1I)C)F 34a_200135191068_100011218378 [0,2,0,0,0,0|2,0,0]=4 19012 B15R1.38791 CCC(O)COc1c(cc(cc1I)C)F 7a_200135191068_100011218378 [0,2,0,0,0,0|2,0,0]=4 19013 B15R1.38791 CCC(O)COc1c(cc(cc1I)Cl)C 34a_100012343667_100011218378 [0,2,0,0,0,0|1,0,0]=3 19014 B15R1.38791 CCC(O)COc1c(cc(cc1I)Cl)C 7a_100012343667_100011218378 [0,2,0,0,0,0|1,0,0]=3 19015 B15R1.38791 CCC(O)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100011218378 [0,2,0,0,0,0|1,0,0]=3 19016 B15R1.38791 CCC(O)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100011218378 [0,2,0,0,0,0|1,0,0]=3 19017 B15R1.38791 CCC(O)COc1c(cc(cc1I)Cl)I 7a_100000730656_100011218378 [0,2,0,0,0,0|1,0,0]=3 19018 B15R1.38791 CCC(O)COc1c(cc(cc1I)F)Br 34a_200013085147_100011218378 [0,2,0,0,0,0|1,1,0]=4 19019 B15R1.38791 CCC(O)COc1c(cc(cc1I)F)Br 7a_200013085147_100011218378 [0,2,0,0,0,0|1,1,0]=4 19020 B15R1.38791 CCC(O)COc1c(cc(cc1I)F)F 34a_200013204775_100011218378 [0,2,0,0,0,0|1,1,0]=4 19021 B15R1.38791 CCC(O)COc1c(cc(cc1I)F)F 7a_200013204775_100011218378 [0,2,0,0,0,0|1,1,0]=4 19022 B15R1.38791 CCC(O)COc1c(cc(cc1I)I)Cl 7a_100009997439_100011218378 [0,2,0,0,0,0|1,1,0]=4 19023 B15R1.38791 CCC(O)COc1c(cc(cc1N)Br)C 34a_100011825904_100011218378 [0,2,0,0,0,0|1,1,0]=4 19024 B15R1.38791 CCC(O)COc1c(cc(cc1N)Br)C 7a_100011825904_100011218378 [0,2,0,0,0,0|1,1,0]=4 19025 B15R1.38791 CCC(O)COc1c(cc(cc1N)C)C 34a_100011216242_100011218378 [0,2,0,0,0,0|2,0,0]=4 19026 B15R1.38791 CCC(O)COc1c(cc(cc1N)C)C 7a_100011216242_100011218378 [0,2,0,0,0,0|2,0,0]=4 19027 B15R1.38791 CCC(O)COc1c(cc(cc1N)F)C 34a_100000130126_100011218378 [0,2,0,0,0,0|1,1,0]=4 19028 B15R1.38791 CCC(O)COc1c(cc(cc1N)F)C 7a_100000130126_100011218378 [0,2,0,0,0,0|1,1,0]=4 19029 B15R1.38791 CCC(O)CSc1c(cc(cc1Br)Cl)Cl 62a_100011218378_200009992027 [0,2,0,0,0,0|1,1,0]=4 19030 B15R1.38791 CCC(O)CSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100011218378 [0,2,0,0,0,0|1,1,0]=4 19031 B15R1.38791 CCC(O)CSc1c(cc(cc1Br)Cl)F 62a_100009993495_100011218378 [0,2,0,0,0,0|1,1,0]=4 19032 B15R1.38791 CCC(O)CSc1c(cc(cc1Br)Cl)F 62a_100011218378_100009993495 [0,2,0,0,0,0|1,1,0]=4 19033 B15R1.38791 CCC(O)CSc1c(cc(cc1Br)Cl)N 62a_100011155807_100011218378 [0,2,0,0,0,0|1,1,0]=4 19034 B15R1.38791 CCC(O)CSc1c(cc(cc1Br)Cl)N 62a_100011218378_100011155807 [0,2,0,0,0,0|1,1,0]=4 19035 B15R1.38791 CCC(O)CSc1c(cc(cc1C)Cl)C 62a_100010244930_100011218378 [0,2,0,0,0,0|1,1,0]=4 19036 B15R1.38791 CCC(O)CSc1c(cc(cc1C)Cl)C 62a_100011218378_100010244930 [0,2,0,0,0,0|1,1,0]=4 19037 B15R1.38791 CCC(O)CSc1c(cc(cc1Cl)Cl)C 62a_100011218378_200000035511 [0,2,0,0,0,0|1,1,0]=4 19038 B15R1.38791 CCC(O)CSc1c(cc(cc1Cl)Cl)C 62a_200000035511_100011218378 [0,2,0,0,0,0|1,1,0]=4 19039 B15R1.38791 CCC(O)CSc1c(cc(cc1Cl)Cl)Cl 62a_100011218378_200011216440 [0,2,0,0,0,0|1,1,0]=4 19040 B15R1.38791 CCC(O)CSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100011218378 [0,2,0,0,0,0|1,1,0]=4 19041 B15R1.38791 CCC(O)CSc1c(cc(cc1F)Cl)N 62a_100011218378_200021297760 [0,2,0,0,0,0|1,1,0]=4 19042 B15R1.38791 CCC(O)CSc1c(cc(cc1F)Cl)N 62a_200021297760_100011218378 [0,2,0,0,0,0|1,1,0]=4 19043 B15R1.38791 CCC(O)CSc1c(cc(cc1N)Cl)C 62a_100000698757_100011218378 [0,2,0,0,0,0|1,1,0]=4 19044 B15R1.38791 CCC(O)CSc1c(cc(cc1N)Cl)C 62a_100011218378_100000698757 [0,2,0,0,0,0|1,1,0]=4 19045 B15R1.38791 CCC(O)CSc1c(cc(cc1O)Cl)C 62a_100010254216_100011218378 [0,2,0,0,0,0|1,1,0]=4 19046 B15R1.38791 CCC(O)CSc1c(cc(cc1O)Cl)C 62a_100011218378_100010254216 [0,2,0,0,0,0|1,1,0]=4 19047 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Br)Cl)C 34a_100012337756_100009816398 [0,2,0,0,0,0|2,0,0]=4 19048 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Br)Cl)C 7a_100012337756_100009816398 [0,2,0,0,0,0|2,0,0]=4 19049 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100009816398 [0,2,0,0,0,0|2,0,0]=4 19050 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100009816398 [0,2,0,0,0,0|2,0,0]=4 19051 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Br)Cl)N 34a_106741647128_100009816398 [0,2,0,0,0,0|2,0,0]=4 19052 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Br)Cl)N 7a_106741647128_100009816398 [0,2,0,0,0,0|2,0,0]=4 19053 B15R1.38791 CC[C@H](C)COc1c(cc(cc1C)Cl)C 34a_100000211519_100009816398 [0,2,0,0,0,0|2,0,0]=4 19054 B15R1.38791 CC[C@H](C)COc1c(cc(cc1C)Cl)C 7a_100000211519_100009816398 [0,2,0,0,0,0|2,0,0]=4 19055 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Cl)Cl)C 34a_100011218458_100009816398 [0,2,0,0,0,0|2,0,0]=4 19056 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Cl)Cl)C 7a_100011218458_100009816398 [0,2,0,0,0,0|2,0,0]=4 19057 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Cl)Cl)N 34a_100000695819_100009816398 [0,2,0,0,0,0|2,0,0]=4 19058 B15R1.38791 CC[C@H](C)COc1c(cc(cc1Cl)Cl)N 7a_100000695819_100009816398 [0,2,0,0,0,0|2,0,0]=4 19059 B15R1.38791 CC[C@H](C)COc1c(cc(cc1F)Cl)F 34a_100011830429_100009816398 [0,2,0,0,0,0|2,0,0]=4 19060 B15R1.38791 CC[C@H](C)COc1c(cc(cc1F)Cl)F 7a_100011830429_100009816398 [0,2,0,0,0,0|2,0,0]=4 19061 B15R1.38791 CC[C@H](C)COc1c(cc(cc1I)Cl)C 34a_100012343667_100009816398 [0,2,0,0,0,0|2,0,0]=4 19062 B15R1.38791 CC[C@H](C)COc1c(cc(cc1I)Cl)C 7a_100012343667_100009816398 [0,2,0,0,0,0|2,0,0]=4 19063 B15R1.38791 CC[C@H](C)COc1c(cc(cc1I)Cl)I 7a_100000730656_100009816398 [0,2,0,0,0,0|2,0,0]=4 19064 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100000059175 [0,2,0,0,0,0|2,0,0]=4 19065 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100000059175 [0,2,0,0,0,0|2,0,0]=4 19066 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1Br)Cl)F 34a_100011217455_100000059175 [0,2,0,0,0,0|2,0,0]=4 19067 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100000059175 [0,2,0,0,0,0|2,0,0]=4 19068 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100000059175 [0,2,0,0,0,0|2,0,0]=4 19069 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100000059175 [0,2,0,0,0,0|2,0,0]=4 19070 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1F)Cl)F 34a_100000695146_100000059175 [0,2,0,0,0,0|2,0,0]=4 19071 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1F)Cl)F 7a_100000695146_100000059175 [0,2,0,0,0,0|2,0,0]=4 19072 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1F)Cl)O 34a_100010883250_100000059175 [0,2,0,0,0,0|2,0,0]=4 19073 B15R1.38791 C[C@@H](CO)CNc1c(cc(cc1F)Cl)O 7a_100010883250_100000059175 [0,2,0,0,0,0|2,0,0]=4 19074 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)Br 34a_100000210219_100000059175 [0,2,0,0,0,0|1,1,0]=4 19075 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)Br 7a_100000210219_100000059175 [0,2,0,0,0,0|1,1,0]=4 19076 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100000059175 [0,2,0,0,0,0|1,1,0]=4 19077 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)Cl 7a_100012337755_100000059175 [0,2,0,0,0,0|1,1,0]=4 19078 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)F 34a_100011216695_100000059175 [0,2,0,0,0,0|1,1,0]=4 19079 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)F 7a_100011216695_100000059175 [0,2,0,0,0,0|1,1,0]=4 19080 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)N 34a_100010781877_100000059175 [0,2,0,0,0,0|1,1,0]=4 19081 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Br)N 7a_100010781877_100000059175 [0,2,0,0,0,0|1,1,0]=4 19082 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100000059175 [0,2,0,0,0,0|1,0,0]=3 19083 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100000059175 [0,2,0,0,0,0|1,0,0]=3 19084 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100000059175 [0,2,0,0,0,0|1,0,0]=3 19085 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100000059175 [0,2,0,0,0,0|1,0,0]=3 19086 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100000059175 [0,2,0,0,0,0|1,0,0]=3 19087 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100000059175 [0,2,0,0,0,0|1,0,0]=3 19088 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)N 34a_106741647128_100000059175 [0,2,0,0,0,0|1,0,0]=3 19089 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)Cl)N 7a_106741647128_100000059175 [0,2,0,0,0,0|1,0,0]=3 19090 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)Br 34a_100011215434_100000059175 [0,2,0,0,0,0|1,1,0]=4 19091 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)Br 7a_100011215434_100000059175 [0,2,0,0,0,0|1,1,0]=4 19092 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)Cl 34a_100011830411_100000059175 [0,2,0,0,0,0|1,1,0]=4 19093 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)Cl 7a_100011830411_100000059175 [0,2,0,0,0,0|1,1,0]=4 19094 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)F 34a_100000688693_100000059175 [0,2,0,0,0,0|1,1,0]=4 19095 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)F 7a_100000688693_100000059175 [0,2,0,0,0,0|1,1,0]=4 19096 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)N 34a_200011217456_100000059175 [0,2,0,0,0,0|1,1,0]=4 19097 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)F)N 7a_200011217456_100000059175 [0,2,0,0,0,0|1,1,0]=4 19098 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Br)N)Br 34a_200000186426_100000059175 [0,2,0,0,0,0|2,0,0]=4 19099 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100000059175 [0,2,0,0,0,0|1,1,0]=4 19100 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100000059175 [0,2,0,0,0,0|1,1,0]=4 19101 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Br)F 34a_100011216646_100000059175 [0,2,0,0,0,0|1,1,0]=4 19102 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Br)F 7a_100011216646_100000059175 [0,2,0,0,0,0|1,1,0]=4 19103 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Br)N 34a_100000694353_100000059175 [0,2,0,0,0,0|1,1,0]=4 19104 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Br)N 7a_100000694353_100000059175 [0,2,0,0,0,0|1,1,0]=4 19105 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100000059175 [0,2,0,0,0,0|1,0,0]=3 19106 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100000059175 [0,2,0,0,0,0|1,0,0]=3 19107 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Cl)N 34a_100000695819_100000059175 [0,2,0,0,0,0|1,0,0]=3 19108 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)Cl)N 7a_100000695819_100000059175 [0,2,0,0,0,0|1,0,0]=3 19109 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100000059175 [0,2,0,0,0,0|1,1,0]=4 19110 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)F)Cl 7a_100011217724_100000059175 [0,2,0,0,0,0|1,1,0]=4 19111 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)F)F 34a_100011935252_100000059175 [0,2,0,0,0,0|1,1,0]=4 19112 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)F)F 7a_100011935252_100000059175 [0,2,0,0,0,0|1,1,0]=4 19113 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)I)Cl 7a_100012339652_100000059175 [0,2,0,0,0,0|1,1,0]=4 19114 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)N)Cl 34a_100000695418_100000059175 [0,2,0,0,0,0|2,0,0]=4 19115 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1Cl)N)Cl 7a_100000695418_100000059175 [0,2,0,0,0,0|2,0,0]=4 19116 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)Br)F 34a_100011216917_100000059175 [0,2,0,0,0,0|1,1,0]=4 19117 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)Br)F 7a_100011216917_100000059175 [0,2,0,0,0,0|1,1,0]=4 19118 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)Br)N 34a_100011217383_100000059175 [0,2,0,0,0,0|1,1,0]=4 19119 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)Br)N 7a_100011217383_100000059175 [0,2,0,0,0,0|1,1,0]=4 19120 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)Cl)F 34a_100011830429_100000059175 [0,2,0,0,0,0|1,0,0]=3 19121 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)Cl)F 7a_100011830429_100000059175 [0,2,0,0,0,0|1,0,0]=3 19122 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)F)F 34a_100011218396_100000059175 [0,2,0,0,0,0|1,1,0]=4 19123 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)F)F 7a_100011218396_100000059175 [0,2,0,0,0,0|1,1,0]=4 19124 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)F)N 34a_100015205836_100000059175 [0,2,0,0,0,0|1,1,0]=4 19125 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)F)N 7a_100015205836_100000059175 [0,2,0,0,0,0|1,1,0]=4 19126 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)I)F 34a_200011830255_100000059175 [0,2,0,0,0,0|1,1,0]=4 19127 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)I)F 7a_200011830255_100000059175 [0,2,0,0,0,0|1,1,0]=4 19128 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)N)F 34a_100016987357_100000059175 [0,2,0,0,0,0|2,0,0]=4 19129 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1F)N)F 7a_100016987357_100000059175 [0,2,0,0,0,0|2,0,0]=4 19130 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)Br)F 34a_100013354677_100000059175 [0,2,0,0,0,0|1,1,0]=4 19131 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)Br)F 7a_100013354677_100000059175 [0,2,0,0,0,0|1,1,0]=4 19132 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)Br)I 7a_100009997433_100000059175 [0,2,0,0,0,0|1,1,0]=4 19133 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)Br)N 7a_100016071998_100000059175 [0,2,0,0,0,0|1,1,0]=4 19134 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100000059175 [0,2,0,0,0,0|1,0,0]=3 19135 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100000059175 [0,2,0,0,0,0|1,0,0]=3 19136 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)Cl)I 7a_100000730656_100000059175 [0,2,0,0,0,0|1,0,0]=3 19137 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)F)Br 34a_200013085147_100000059175 [0,2,0,0,0,0|1,1,0]=4 19138 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)F)Br 7a_200013085147_100000059175 [0,2,0,0,0,0|1,1,0]=4 19139 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)F)F 34a_200013204775_100000059175 [0,2,0,0,0,0|1,1,0]=4 19140 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)F)F 7a_200013204775_100000059175 [0,2,0,0,0,0|1,1,0]=4 19141 B15R1.38791 C[C@@H](CO)COc1c(cc(cc1I)I)Cl 7a_100009997439_100000059175 [0,2,0,0,0,0|1,1,0]=4 19142 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Br)Cl)Cl 62a_100000059175_200009992027 [0,2,0,0,0,0|1,1,0]=4 19143 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100000059175 [0,2,0,0,0,0|1,1,0]=4 19144 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Br)Cl)F 62a_100000059175_100009993495 [0,2,0,0,0,0|1,1,0]=4 19145 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Br)Cl)F 62a_100009993495_100000059175 [0,2,0,0,0,0|1,1,0]=4 19146 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Br)Cl)N 62a_100000059175_100011155807 [0,2,0,0,0,0|1,1,0]=4 19147 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Br)Cl)N 62a_100011155807_100000059175 [0,2,0,0,0,0|1,1,0]=4 19148 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Cl)Cl)Cl 62a_100000059175_200011216440 [0,2,0,0,0,0|1,1,0]=4 19149 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100000059175 [0,2,0,0,0,0|1,1,0]=4 19150 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1F)Cl)N 62a_100000059175_200021297760 [0,2,0,0,0,0|1,1,0]=4 19151 B15R1.38791 C[C@@H](CO)CSc1c(cc(cc1F)Cl)N 62a_200021297760_100000059175 [0,2,0,0,0,0|1,1,0]=4 19152 B15R1.38791 Cc1cc(c(c(c1)Br)NCC(O)CO)Br 34a_100000184052_100011219619 [0,2,0,0,0,0|2,0,0]=4 19153 B15R1.38791 Cc1cc(c(c(c1)Br)NCC(O)CO)C 34a_100000688863_100011219619 [0,2,0,0,0,0|2,0,0]=4 19154 B15R1.38791 Cc1cc(c(c(c1)Br)NCC(O)CO)Cl 34a_100012339639_100011219619 [0,2,0,0,0,0|2,0,0]=4 19155 B15R1.38791 Cc1cc(c(c(c1)Br)NCC(O)CO)F 34a_100012353694_100011219619 [0,2,0,0,0,0|2,0,0]=4 19156 B15R1.38791 Cc1cc(c(c(c1)Br)NC[C@@H](O)CO)Br 34a_100000184052_100009815848 [0,2,0,0,0,0|2,0,0]=4 19157 B15R1.38791 Cc1cc(c(c(c1)Br)NC[C@@H](O)CO)C 34a_100000688863_100009815848 [0,2,0,0,0,0|2,0,0]=4 19158 B15R1.38791 Cc1cc(c(c(c1)Br)NC[C@@H](O)CO)Cl 34a_100012339639_100009815848 [0,2,0,0,0,0|2,0,0]=4 19159 B15R1.38791 Cc1cc(c(c(c1)Br)NC[C@@H](O)CO)F 34a_100012353694_100009815848 [0,2,0,0,0,0|2,0,0]=4 19160 B15R1.38791 Cc1cc(c(c(c1)Br)OCC(O)CO)Br 34a_100000203795_100011219619 [0,2,0,0,0,0|1,0,0]=3 19161 B15R1.38791 Cc1cc(c(c(c1)Br)OCC(O)CO)Br 7a_100000203795_100011219619 [0,2,0,0,0,0|1,0,0]=3 19162 B15R1.38791 Cc1cc(c(c(c1)Br)OCC(O)CO)C 34a_100011934984_100011219619 [0,2,0,0,0,0|1,0,0]=3 19163 B15R1.38791 Cc1cc(c(c(c1)Br)OCC(O)CO)C 7a_100011934984_100011219619 [0,2,0,0,0,0|1,0,0]=3 19164 B15R1.38791 Cc1cc(c(c(c1)Br)OCC(O)CO)F 34a_200010713133_100011219619 [0,2,0,0,0,0|1,0,0]=3 19165 B15R1.38791 Cc1cc(c(c(c1)Br)OCC(O)CO)F 7a_200010713133_100011219619 [0,2,0,0,0,0|1,0,0]=3 19166 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](C)CO)Br 34a_100000203795_100000059175 [0,2,0,0,0,0|2,0,0]=4 19167 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](C)CO)Br 7a_100000203795_100000059175 [0,2,0,0,0,0|2,0,0]=4 19168 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](C)CO)C 34a_100011934984_100000059175 [0,2,0,0,0,0|2,0,0]=4 19169 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](C)CO)C 7a_100011934984_100000059175 [0,2,0,0,0,0|2,0,0]=4 19170 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](C)CO)F 34a_200010713133_100000059175 [0,2,0,0,0,0|2,0,0]=4 19171 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](C)CO)F 7a_200010713133_100000059175 [0,2,0,0,0,0|2,0,0]=4 19172 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CF)Br 34a_100000203795_100015614560 [0,2,0,0,0,0|2,0,0]=4 19173 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CF)Br 7a_100000203795_100015614560 [0,2,0,0,0,0|2,0,0]=4 19174 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CF)C 34a_100011934984_100015614560 [0,2,0,0,0,0|2,0,0]=4 19175 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CF)C 7a_100011934984_100015614560 [0,2,0,0,0,0|2,0,0]=4 19176 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CF)F 34a_200010713133_100015614560 [0,2,0,0,0,0|2,0,0]=4 19177 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CF)F 7a_200010713133_100015614560 [0,2,0,0,0,0|2,0,0]=4 19178 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CO)Br 34a_100000203795_100009815848 [0,2,0,0,0,0|1,0,0]=3 19179 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CO)Br 7a_100000203795_100009815848 [0,2,0,0,0,0|1,0,0]=3 19180 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CO)C 34a_100011934984_100009815848 [0,2,0,0,0,0|1,0,0]=3 19181 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CO)C 7a_100011934984_100009815848 [0,2,0,0,0,0|1,0,0]=3 19182 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CO)F 34a_200010713133_100009815848 [0,2,0,0,0,0|1,0,0]=3 19183 B15R1.38791 Cc1cc(c(c(c1)Br)OC[C@@H](O)CO)F 7a_200010713133_100009815848 [0,2,0,0,0,0|1,0,0]=3 19184 B15R1.38791 Cc1cc(c(c(c1)Br)SCC(O)CO)Br 62a_100011219619_200011219743 [0,2,0,0,0,0|1,1,0]=4 19185 B15R1.38791 Cc1cc(c(c(c1)Br)SCC(O)CO)Br 62a_200011219743_100011219619 [0,2,0,0,0,0|1,1,0]=4 19186 B15R1.38791 Cc1cc(c(c(c1)Br)SCC(O)CO)C 62a_100011219619_200012353697 [0,2,0,0,0,0|1,1,0]=4 19187 B15R1.38791 Cc1cc(c(c(c1)Br)SCC(O)CO)C 62a_200012353697_100011219619 [0,2,0,0,0,0|1,1,0]=4 19188 B15R1.38791 Cc1cc(c(c(c1)Br)SCC(O)CO)F 62a_100010208195_100011219619 [0,2,0,0,0,0|1,1,0]=4 19189 B15R1.38791 Cc1cc(c(c(c1)Br)SCC(O)CO)F 62a_100011219619_100010208195 [0,2,0,0,0,0|1,1,0]=4 19190 B15R1.38791 Cc1cc(c(c(c1)Br)SC[C@@H](O)CO)Br 62a_100009815848_200011219743 [0,2,0,0,0,0|1,1,0]=4 19191 B15R1.38791 Cc1cc(c(c(c1)Br)SC[C@@H](O)CO)Br 62a_200011219743_100009815848 [0,2,0,0,0,0|1,1,0]=4 19192 B15R1.38791 Cc1cc(c(c(c1)Br)SC[C@@H](O)CO)C 62a_100009815848_200012353697 [0,2,0,0,0,0|1,1,0]=4 19193 B15R1.38791 Cc1cc(c(c(c1)Br)SC[C@@H](O)CO)C 62a_200012353697_100009815848 [0,2,0,0,0,0|1,1,0]=4 19194 B15R1.38791 Cc1cc(c(c(c1)Br)SC[C@@H](O)CO)F 62a_100009815848_100010208195 [0,2,0,0,0,0|1,1,0]=4 19195 B15R1.38791 Cc1cc(c(c(c1)Br)SC[C@@H](O)CO)F 62a_100010208195_100009815848 [0,2,0,0,0,0|1,1,0]=4 19196 B15R1.38791 Cc1cc(c(c(c1)C)NCC(O)CO)C 34a_100000210045_100011219619 [0,2,0,0,0,0|2,0,0]=4 19197 B15R1.38791 Cc1cc(c(c(c1)C)NCC(O)CO)C 7a_100000210045_100011219619 [0,2,0,0,0,0|2,0,0]=4 19198 B15R1.38791 Cc1cc(c(c(c1)C)NC[C@@H](O)CO)C 34a_100000210045_100009815848 [0,2,0,0,0,0|2,0,0]=4 19199 B15R1.38791 Cc1cc(c(c(c1)C)NC[C@@H](O)CO)C 7a_100000210045_100009815848 [0,2,0,0,0,0|2,0,0]=4 19200 B15R1.38791 Cc1cc(c(c(c1)C)OCC(O)CO)C 34a_100000212074_100011219619 [0,2,0,0,0,0|1,0,0]=3 19201 B15R1.38791 Cc1cc(c(c(c1)C)OCC(O)CO)C 7a_100000212074_100011219619 [0,2,0,0,0,0|1,0,0]=3 19202 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](C)CO)C 34a_100000212074_100000059175 [0,2,0,0,0,0|2,0,0]=4 19203 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](C)CO)C 7a_100000212074_100000059175 [0,2,0,0,0,0|2,0,0]=4 19204 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CF)C 34a_100000212074_100015614560 [0,2,0,0,0,0|2,0,0]=4 19205 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CF)C 7a_100000212074_100015614560 [0,2,0,0,0,0|2,0,0]=4 19206 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CO)C 34a_100000212074_100009815848 [0,2,0,0,0,0|1,0,0]=3 19207 B15R1.38791 Cc1cc(c(c(c1)C)OC[C@@H](O)CO)C 7a_100000212074_100009815848 [0,2,0,0,0,0|1,0,0]=3 19208 B15R1.38791 Cc1cc(c(c(c1)C)SCC(O)CO)C 62a_100011204320_100011219619 [0,2,0,0,0,0|1,1,0]=4 19209 B15R1.38791 Cc1cc(c(c(c1)C)SCC(O)CO)C 62a_100011219619_100011204320 [0,2,0,0,0,0|1,1,0]=4 19210 B15R1.38791 Cc1cc(c(c(c1)C)SC[C@@H](O)CO)C 62a_100009815848_100011204320 [0,2,0,0,0,0|1,1,0]=4 19211 B15R1.38791 Cc1cc(c(c(c1)C)SC[C@@H](O)CO)C 62a_100011204320_100009815848 [0,2,0,0,0,0|1,1,0]=4 19212 B15R1.38791 Cc1cc(c(c(c1)Cl)NCC(O)CO)C 34a_100000211461_100011219619 [0,2,0,0,0,0|2,0,0]=4 19213 B15R1.38791 Cc1cc(c(c(c1)Cl)NCC(O)CO)C 7a_100000211461_100011219619 [0,2,0,0,0,0|2,0,0]=4 19214 B15R1.38791 Cc1cc(c(c(c1)Cl)NCC(O)CO)Cl 34a_100011996032_100011219619 [0,2,0,0,0,0|2,0,0]=4 19215 B15R1.38791 Cc1cc(c(c(c1)Cl)NCC(O)CO)O 34a_100015906060_100011219619 [0,2,0,0,0,0|2,0,0]=4 19216 B15R1.38791 Cc1cc(c(c(c1)Cl)NC[C@@H](O)CO)C 34a_100000211461_100009815848 [0,2,0,0,0,0|2,0,0]=4 19217 B15R1.38791 Cc1cc(c(c(c1)Cl)NC[C@@H](O)CO)C 7a_100000211461_100009815848 [0,2,0,0,0,0|2,0,0]=4 19218 B15R1.38791 Cc1cc(c(c(c1)Cl)NC[C@@H](O)CO)Cl 34a_100011996032_100009815848 [0,2,0,0,0,0|2,0,0]=4 19219 B15R1.38791 Cc1cc(c(c(c1)Cl)NC[C@@H](O)CO)O 34a_100015906060_100009815848 [0,2,0,0,0,0|2,0,0]=4 19220 B15R1.38791 Cc1cc(c(c(c1)Cl)OCC(O)CO)Cl 34a_100000034925_100011219619 [0,2,0,0,0,0|1,0,0]=3 19221 B15R1.38791 Cc1cc(c(c(c1)Cl)OCC(O)CO)Cl 7a_100000034925_100011219619 [0,2,0,0,0,0|1,0,0]=3 19222 B15R1.38791 Cc1cc(c(c(c1)Cl)OC[C@@H](C)CO)Cl 34a_100000034925_100000059175 [0,2,0,0,0,0|2,0,0]=4 19223 B15R1.38791 Cc1cc(c(c(c1)Cl)OC[C@@H](C)CO)Cl 7a_100000034925_100000059175 [0,2,0,0,0,0|2,0,0]=4 19224 B15R1.38791 Cc1cc(c(c(c1)Cl)OC[C@@H](O)CF)Cl 34a_100000034925_100015614560 [0,2,0,0,0,0|2,0,0]=4 19225 B15R1.38791 Cc1cc(c(c(c1)Cl)OC[C@@H](O)CF)Cl 7a_100000034925_100015614560 [0,2,0,0,0,0|2,0,0]=4 19226 B15R1.38791 Cc1cc(c(c(c1)Cl)OC[C@@H](O)CO)Cl 34a_100000034925_100009815848 [0,2,0,0,0,0|1,0,0]=3 19227 B15R1.38791 Cc1cc(c(c(c1)Cl)OC[C@@H](O)CO)Cl 7a_100000034925_100009815848 [0,2,0,0,0,0|1,0,0]=3 19228 B15R1.38791 Cc1cc(c(c(c1)F)SCC(O)CO)F 62a_100011219619_100015306127 [0,2,0,0,0,0|1,1,0]=4 19229 B15R1.38791 Cc1cc(c(c(c1)F)SCC(O)CO)F 62a_100015306127_100011219619 [0,2,0,0,0,0|1,1,0]=4 19230 B15R1.38791 Cc1cc(c(c(c1)F)SCC(O)CO)N 62a_100011219619_100021129147 [0,2,0,0,0,0|1,1,0]=4 19231 B15R1.38791 Cc1cc(c(c(c1)F)SCC(O)CO)N 62a_100021129147_100011219619 [0,2,0,0,0,0|1,1,0]=4 19232 B15R1.38791 Cc1cc(c(c(c1)F)SC[C@@H](O)CO)F 62a_100009815848_100015306127 [0,2,0,0,0,0|1,1,0]=4 19233 B15R1.38791 Cc1cc(c(c(c1)F)SC[C@@H](O)CO)F 62a_100015306127_100009815848 [0,2,0,0,0,0|1,1,0]=4 19234 B15R1.38791 Cc1cc(c(c(c1)F)SC[C@@H](O)CO)N 62a_100009815848_100021129147 [0,2,0,0,0,0|1,1,0]=4 19235 B15R1.38791 Cc1cc(c(c(c1)F)SC[C@@H](O)CO)N 62a_100021129147_100009815848 [0,2,0,0,0,0|1,1,0]=4 19236 B15R1.38791 Cc1cc(c(c(c1)I)OCC(O)CO)F 34a_200135191068_100011219619 [0,2,0,0,0,0|1,0,0]=3 19237 B15R1.38791 Cc1cc(c(c(c1)I)OCC(O)CO)F 7a_200135191068_100011219619 [0,2,0,0,0,0|1,0,0]=3 19238 B15R1.38791 Cc1cc(c(c(c1)I)OC[C@@H](C)CO)F 34a_200135191068_100000059175 [0,2,0,0,0,0|2,0,0]=4 19239 B15R1.38791 Cc1cc(c(c(c1)I)OC[C@@H](C)CO)F 7a_200135191068_100000059175 [0,2,0,0,0,0|2,0,0]=4 19240 B15R1.38791 Cc1cc(c(c(c1)I)OC[C@@H](O)CF)F 34a_200135191068_100015614560 [0,2,0,0,0,0|2,0,0]=4 19241 B15R1.38791 Cc1cc(c(c(c1)I)OC[C@@H](O)CF)F 7a_200135191068_100015614560 [0,2,0,0,0,0|2,0,0]=4 19242 B15R1.38791 Cc1cc(c(c(c1)I)OC[C@@H](O)CO)F 34a_200135191068_100009815848 [0,2,0,0,0,0|1,0,0]=3 19243 B15R1.38791 Cc1cc(c(c(c1)I)OC[C@@H](O)CO)F 7a_200135191068_100009815848 [0,2,0,0,0,0|1,0,0]=3 19244 B15R1.38791 Cc1cc(c(c(c1)N)OCC(O)CO)C 34a_100011216242_100011219619 [0,2,0,0,0,0|1,0,0]=3 19245 B15R1.38791 Cc1cc(c(c(c1)N)OCC(O)CO)C 7a_100011216242_100011219619 [0,2,0,0,0,0|1,0,0]=3 19246 B15R1.38791 Cc1cc(c(c(c1)N)OC[C@@H](C)CO)C 34a_100011216242_100000059175 [0,2,0,0,0,0|2,0,0]=4 19247 B15R1.38791 Cc1cc(c(c(c1)N)OC[C@@H](C)CO)C 7a_100011216242_100000059175 [0,2,0,0,0,0|2,0,0]=4 19248 B15R1.38791 Cc1cc(c(c(c1)N)OC[C@@H](O)CF)C 34a_100011216242_100015614560 [0,2,0,0,0,0|2,0,0]=4 19249 B15R1.38791 Cc1cc(c(c(c1)N)OC[C@@H](O)CF)C 7a_100011216242_100015614560 [0,2,0,0,0,0|2,0,0]=4 19250 B15R1.38791 Cc1cc(c(c(c1)N)OC[C@@H](O)CO)C 34a_100011216242_100009815848 [0,2,0,0,0,0|1,0,0]=3 19251 B15R1.38791 Cc1cc(c(c(c1)N)OC[C@@H](O)CO)C 7a_100011216242_100009815848 [0,2,0,0,0,0|1,0,0]=3 19252 B15R1.38791 Cc1cc(c(c(c1)O)SCC(O)CO)C 62a_100010342985_100011219619 [0,2,0,0,0,0|1,1,0]=4 19253 B15R1.38791 Cc1cc(c(c(c1)O)SCC(O)CO)C 62a_100011219619_100010342985 [0,2,0,0,0,0|1,1,0]=4 19254 B15R1.38791 Cc1cc(c(c(c1)O)SC[C@@H](O)CO)C 62a_100009815848_100010342985 [0,2,0,0,0,0|1,1,0]=4 19255 B15R1.38791 Cc1cc(c(c(c1)O)SC[C@@H](O)CO)C 62a_100010342985_100009815848 [0,2,0,0,0,0|1,1,0]=4 19256 B15R1.38791 Cc1cc(c(c(n1)Br)OCC(O)CO)Br 34a_200010207325_100011219619 [0,2,0,0,0,0|2,0,0]=4 19257 B15R1.38791 Cc1cc(c(c(n1)Br)OCC(O)CO)Br 7a_200010207325_100011219619 [0,2,0,0,0,0|2,0,0]=4 19258 B15R1.38791 Cc1cc(c(c(n1)Br)OC[C@@H](O)CO)Br 34a_200010207325_100009815848 [0,2,0,0,0,0|2,0,0]=4 19259 B15R1.38791 Cc1cc(c(c(n1)Br)OC[C@@H](O)CO)Br 7a_200010207325_100009815848 [0,2,0,0,0,0|2,0,0]=4 19260 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Br)Br 34a_100012047207_100011219619 [0,2,0,0,0,0|1,1,0]=4 19261 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Br)Br 7a_100012047207_100011219619 [0,2,0,0,0,0|1,1,0]=4 19262 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Br)Cl 34a_100012353696_100011219619 [0,2,0,0,0,0|1,0,0]=3 19263 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Br)Cl 7a_100012353696_100011219619 [0,2,0,0,0,0|1,0,0]=3 19264 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Br)F 34a_100011216670_100011219619 [0,2,0,0,0,0|1,1,0]=4 19265 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Br)F 7a_100011216670_100011219619 [0,2,0,0,0,0|1,1,0]=4 19266 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)Br 34a_100000737279_100011219619 [0,2,0,0,0,0|1,1,0]=4 19267 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)Br 7a_100000737279_100011219619 [0,2,0,0,0,0|1,1,0]=4 19268 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)Cl 34a_100000692879_100011219619 [0,2,0,0,0,0|1,0,0]=3 19269 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)Cl 7a_100000692879_100011219619 [0,2,0,0,0,0|1,0,0]=3 19270 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)F 34a_100011290887_100011219619 [0,2,0,0,0,0|1,1,0]=4 19271 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)F 7a_100011290887_100011219619 [0,2,0,0,0,0|1,1,0]=4 19272 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)I 7a_100011356821_100011219619 [0,2,0,0,0,0|1,1,0]=4 19273 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)C)O 34a_100011934200_100011219619 [0,2,0,0,0,0|2,0,0]=4 19274 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Cl)Br 34a_100000741131_100011219619 [0,2,0,0,0,0|1,1,0]=4 19275 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Cl)Br 7a_100000741131_100011219619 [0,2,0,0,0,0|1,1,0]=4 19276 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Cl)Cl 34a_100011215104_100011219619 [0,2,0,0,0,0|1,0,0]=3 19277 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Cl)Cl 7a_100011215104_100011219619 [0,2,0,0,0,0|1,0,0]=3 19278 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Cl)F 34a_100000725997_100011219619 [0,2,0,0,0,0|1,1,0]=4 19279 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)Cl)F 7a_100000725997_100011219619 [0,2,0,0,0,0|1,1,0]=4 19280 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)F)Br 34a_100000709789_100011219619 [0,2,0,0,0,0|1,1,0]=4 19281 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)F)Br 7a_100000709789_100011219619 [0,2,0,0,0,0|1,1,0]=4 19282 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)F)Cl 34a_100012017672_100011219619 [0,2,0,0,0,0|1,0,0]=3 19283 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)F)Cl 7a_100012017672_100011219619 [0,2,0,0,0,0|1,0,0]=3 19284 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)I)Br 7a_200000690823_100011219619 [0,2,0,0,0,0|1,1,0]=4 19285 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)I)Cl 7a_100012344046_100011219619 [0,2,0,0,0,0|1,0,0]=3 19286 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)O)Br 34a_100010371313_100011219619 [0,2,0,0,0,0|1,1,0]=4 19287 B15R1.38791 Cc1cc(cc(c1NCC(O)CO)O)Br 7a_100010371313_100011219619 [0,2,0,0,0,0|1,1,0]=4 19288 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)Br)Cl 34a_100012353696_100000059175 [0,2,0,0,0,0|2,0,0]=4 19289 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)Br)Cl 7a_100012353696_100000059175 [0,2,0,0,0,0|2,0,0]=4 19290 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)C)Cl 34a_100000692879_100000059175 [0,2,0,0,0,0|2,0,0]=4 19291 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)C)Cl 7a_100000692879_100000059175 [0,2,0,0,0,0|2,0,0]=4 19292 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)Cl)Cl 34a_100011215104_100000059175 [0,2,0,0,0,0|2,0,0]=4 19293 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)Cl)Cl 7a_100011215104_100000059175 [0,2,0,0,0,0|2,0,0]=4 19294 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)F)Cl 34a_100012017672_100000059175 [0,2,0,0,0,0|2,0,0]=4 19295 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)F)Cl 7a_100012017672_100000059175 [0,2,0,0,0,0|2,0,0]=4 19296 B15R1.38791 Cc1cc(cc(c1NC[C@@H](C)CO)I)Cl 7a_100012344046_100000059175 [0,2,0,0,0,0|2,0,0]=4 19297 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)Br)Cl 34a_100012353696_100015614560 [0,2,0,0,0,0|2,0,0]=4 19298 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)Br)Cl 7a_100012353696_100015614560 [0,2,0,0,0,0|2,0,0]=4 19299 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)C)Cl 34a_100000692879_100015614560 [0,2,0,0,0,0|2,0,0]=4 19300 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)C)Cl 7a_100000692879_100015614560 [0,2,0,0,0,0|2,0,0]=4 19301 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)Cl)Cl 34a_100011215104_100015614560 [0,2,0,0,0,0|2,0,0]=4 19302 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)Cl)Cl 7a_100011215104_100015614560 [0,2,0,0,0,0|2,0,0]=4 19303 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)F)Cl 34a_100012017672_100015614560 [0,2,0,0,0,0|2,0,0]=4 19304 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)F)Cl 7a_100012017672_100015614560 [0,2,0,0,0,0|2,0,0]=4 19305 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CF)I)Cl 7a_100012344046_100015614560 [0,2,0,0,0,0|2,0,0]=4 19306 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Br)Br 34a_100012047207_100009815848 [0,2,0,0,0,0|1,1,0]=4 19307 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Br)Br 7a_100012047207_100009815848 [0,2,0,0,0,0|1,1,0]=4 19308 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Br)Cl 34a_100012353696_100009815848 [0,2,0,0,0,0|1,0,0]=3 19309 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Br)Cl 7a_100012353696_100009815848 [0,2,0,0,0,0|1,0,0]=3 19310 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Br)F 34a_100011216670_100009815848 [0,2,0,0,0,0|1,1,0]=4 19311 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Br)F 7a_100011216670_100009815848 [0,2,0,0,0,0|1,1,0]=4 19312 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)Br 34a_100000737279_100009815848 [0,2,0,0,0,0|1,1,0]=4 19313 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)Br 7a_100000737279_100009815848 [0,2,0,0,0,0|1,1,0]=4 19314 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)Cl 34a_100000692879_100009815848 [0,2,0,0,0,0|1,0,0]=3 19315 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)Cl 7a_100000692879_100009815848 [0,2,0,0,0,0|1,0,0]=3 19316 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)F 34a_100011290887_100009815848 [0,2,0,0,0,0|1,1,0]=4 19317 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)F 7a_100011290887_100009815848 [0,2,0,0,0,0|1,1,0]=4 19318 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)I 7a_100011356821_100009815848 [0,2,0,0,0,0|1,1,0]=4 19319 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)C)O 34a_100011934200_100009815848 [0,2,0,0,0,0|2,0,0]=4 19320 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Cl)Br 34a_100000741131_100009815848 [0,2,0,0,0,0|1,1,0]=4 19321 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Cl)Br 7a_100000741131_100009815848 [0,2,0,0,0,0|1,1,0]=4 19322 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Cl)Cl 34a_100011215104_100009815848 [0,2,0,0,0,0|1,0,0]=3 19323 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Cl)Cl 7a_100011215104_100009815848 [0,2,0,0,0,0|1,0,0]=3 19324 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Cl)F 34a_100000725997_100009815848 [0,2,0,0,0,0|1,1,0]=4 19325 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)Cl)F 7a_100000725997_100009815848 [0,2,0,0,0,0|1,1,0]=4 19326 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)F)Br 34a_100000709789_100009815848 [0,2,0,0,0,0|1,1,0]=4 19327 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)F)Br 7a_100000709789_100009815848 [0,2,0,0,0,0|1,1,0]=4 19328 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)F)Cl 34a_100012017672_100009815848 [0,2,0,0,0,0|1,0,0]=3 19329 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)F)Cl 7a_100012017672_100009815848 [0,2,0,0,0,0|1,0,0]=3 19330 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)I)Br 7a_200000690823_100009815848 [0,2,0,0,0,0|1,1,0]=4 19331 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)I)Cl 7a_100012344046_100009815848 [0,2,0,0,0,0|1,0,0]=3 19332 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)O)Br 34a_100010371313_100009815848 [0,2,0,0,0,0|1,1,0]=4 19333 B15R1.38791 Cc1cc(cc(c1NC[C@@H](O)CO)O)Br 7a_100010371313_100009815848 [0,2,0,0,0,0|1,1,0]=4 19334 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)Br 34a_100000186369_100011219619 [0,2,0,0,0,0|0,1,0]=3 19335 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)Br 7a_100000186369_100011219619 [0,2,0,0,0,0|0,1,0]=3 19336 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)Cl 34a_100012337756_100011219619 [0,2,0,0,0,0|0,0,0]=2 19337 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)Cl 7a_100012337756_100011219619 [0,2,0,0,0,0|0,0,0]=2 19338 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)I 34a_100010982682_100011219619 [0,2,0,0,0,0|0,1,0]=3 19339 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)I 7a_100010982682_100011219619 [0,2,0,0,0,0|0,1,0]=3 19340 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)N 34a_100010064301_100011219619 [0,2,0,0,0,0|1,0,0]=3 19341 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Br)N 7a_100010064301_100011219619 [0,2,0,0,0,0|1,0,0]=3 19342 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Br 34a_100000187306_100011219619 [0,2,0,0,0,0|0,1,0]=3 19343 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Br 7a_100000187306_100011219619 [0,2,0,0,0,0|0,1,0]=3 19344 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Cl 34a_100000211519_100011219619 [0,2,0,0,0,0|0,0,0]=2 19345 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)Cl 7a_100000211519_100011219619 [0,2,0,0,0,0|0,0,0]=2 19346 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)F 34a_100000081862_100011219619 [0,2,0,0,0,0|0,1,0]=3 19347 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)F 7a_100000081862_100011219619 [0,2,0,0,0,0|0,1,0]=3 19348 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)I 34a_100011216129_100011219619 [0,2,0,0,0,0|0,1,0]=3 19349 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)I 7a_100011216129_100011219619 [0,2,0,0,0,0|0,1,0]=3 19350 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)N 34a_100000703291_100011219619 [0,2,0,0,0,0|1,0,0]=3 19351 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)C)N 7a_100000703291_100011219619 [0,2,0,0,0,0|1,0,0]=3 19352 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Cl)Br 34a_100000211485_100011219619 [0,2,0,0,0,0|0,1,0]=3 19353 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Cl)Br 7a_100000211485_100011219619 [0,2,0,0,0,0|0,1,0]=3 19354 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Cl)Cl 34a_100011218458_100011219619 [0,2,0,0,0,0|0,0,0]=2 19355 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Cl)Cl 7a_100011218458_100011219619 [0,2,0,0,0,0|0,0,0]=2 19356 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Cl)I 34a_200015900153_100011219619 [0,2,0,0,0,0|0,1,0]=3 19357 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)Cl)I 7a_200015900153_100011219619 [0,2,0,0,0,0|0,1,0]=3 19358 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)I)Cl 34a_100012343667_100011219619 [0,2,0,0,0,0|0,0,0]=2 19359 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)I)Cl 7a_100012343667_100011219619 [0,2,0,0,0,0|0,0,0]=2 19360 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)N)Br 34a_100011825904_100011219619 [0,2,0,0,0,0|0,1,0]=3 19361 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)N)Br 7a_100011825904_100011219619 [0,2,0,0,0,0|0,1,0]=3 19362 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)N)F 34a_100000130126_100011219619 [0,2,0,0,0,0|0,1,0]=3 19363 B15R1.38791 Cc1cc(cc(c1OCC(O)CO)N)F 7a_100000130126_100011219619 [0,2,0,0,0,0|0,1,0]=3 19364 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)Br 34a_100000186369_100000059175 [0,2,0,0,0,0|1,1,0]=4 19365 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)Br 7a_100000186369_100000059175 [0,2,0,0,0,0|1,1,0]=4 19366 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)Cl 34a_100012337756_100000059175 [0,2,0,0,0,0|1,0,0]=3 19367 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)Cl 7a_100012337756_100000059175 [0,2,0,0,0,0|1,0,0]=3 19368 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)I 34a_100010982682_100000059175 [0,2,0,0,0,0|1,1,0]=4 19369 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)I 7a_100010982682_100000059175 [0,2,0,0,0,0|1,1,0]=4 19370 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)N 34a_100010064301_100000059175 [0,2,0,0,0,0|2,0,0]=4 19371 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Br)N 7a_100010064301_100000059175 [0,2,0,0,0,0|2,0,0]=4 19372 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Br 34a_100000187306_100000059175 [0,2,0,0,0,0|1,1,0]=4 19373 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Br 7a_100000187306_100000059175 [0,2,0,0,0,0|1,1,0]=4 19374 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Cl 34a_100000211519_100000059175 [0,2,0,0,0,0|1,0,0]=3 19375 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)Cl 7a_100000211519_100000059175 [0,2,0,0,0,0|1,0,0]=3 19376 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)F 34a_100000081862_100000059175 [0,2,0,0,0,0|1,1,0]=4 19377 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)F 7a_100000081862_100000059175 [0,2,0,0,0,0|1,1,0]=4 19378 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)I 34a_100011216129_100000059175 [0,2,0,0,0,0|1,1,0]=4 19379 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)I 7a_100011216129_100000059175 [0,2,0,0,0,0|1,1,0]=4 19380 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)N 34a_100000703291_100000059175 [0,2,0,0,0,0|2,0,0]=4 19381 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)C)N 7a_100000703291_100000059175 [0,2,0,0,0,0|2,0,0]=4 19382 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Cl)Br 34a_100000211485_100000059175 [0,2,0,0,0,0|1,1,0]=4 19383 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Cl)Br 7a_100000211485_100000059175 [0,2,0,0,0,0|1,1,0]=4 19384 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Cl)Cl 34a_100011218458_100000059175 [0,2,0,0,0,0|1,0,0]=3 19385 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Cl)Cl 7a_100011218458_100000059175 [0,2,0,0,0,0|1,0,0]=3 19386 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Cl)I 34a_200015900153_100000059175 [0,2,0,0,0,0|1,1,0]=4 19387 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)Cl)I 7a_200015900153_100000059175 [0,2,0,0,0,0|1,1,0]=4 19388 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)I)Cl 34a_100012343667_100000059175 [0,2,0,0,0,0|1,0,0]=3 19389 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)I)Cl 7a_100012343667_100000059175 [0,2,0,0,0,0|1,0,0]=3 19390 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)N)Br 34a_100011825904_100000059175 [0,2,0,0,0,0|1,1,0]=4 19391 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)N)Br 7a_100011825904_100000059175 [0,2,0,0,0,0|1,1,0]=4 19392 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)N)F 34a_100000130126_100000059175 [0,2,0,0,0,0|1,1,0]=4 19393 B15R1.38791 Cc1cc(cc(c1OC[C@@H](C)CO)N)F 7a_100000130126_100000059175 [0,2,0,0,0,0|1,1,0]=4 19394 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)Br 34a_100000186369_100015614560 [0,2,0,0,0,0|1,1,0]=4 19395 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)Br 7a_100000186369_100015614560 [0,2,0,0,0,0|1,1,0]=4 19396 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)Cl 34a_100012337756_100015614560 [0,2,0,0,0,0|1,0,0]=3 19397 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)Cl 7a_100012337756_100015614560 [0,2,0,0,0,0|1,0,0]=3 19398 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)I 34a_100010982682_100015614560 [0,2,0,0,0,0|1,1,0]=4 19399 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)I 7a_100010982682_100015614560 [0,2,0,0,0,0|1,1,0]=4 19400 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)N 34a_100010064301_100015614560 [0,2,0,0,0,0|2,0,0]=4 19401 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Br)N 7a_100010064301_100015614560 [0,2,0,0,0,0|2,0,0]=4 19402 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Br 34a_100000187306_100015614560 [0,2,0,0,0,0|1,1,0]=4 19403 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Br 7a_100000187306_100015614560 [0,2,0,0,0,0|1,1,0]=4 19404 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Cl 34a_100000211519_100015614560 [0,2,0,0,0,0|1,0,0]=3 19405 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)Cl 7a_100000211519_100015614560 [0,2,0,0,0,0|1,0,0]=3 19406 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)F 34a_100000081862_100015614560 [0,2,0,0,0,0|1,1,0]=4 19407 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)F 7a_100000081862_100015614560 [0,2,0,0,0,0|1,1,0]=4 19408 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)I 34a_100011216129_100015614560 [0,2,0,0,0,0|1,1,0]=4 19409 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)I 7a_100011216129_100015614560 [0,2,0,0,0,0|1,1,0]=4 19410 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)N 34a_100000703291_100015614560 [0,2,0,0,0,0|2,0,0]=4 19411 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)C)N 7a_100000703291_100015614560 [0,2,0,0,0,0|2,0,0]=4 19412 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Cl)Br 34a_100000211485_100015614560 [0,2,0,0,0,0|1,1,0]=4 19413 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Cl)Br 7a_100000211485_100015614560 [0,2,0,0,0,0|1,1,0]=4 19414 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Cl)Cl 34a_100011218458_100015614560 [0,2,0,0,0,0|1,0,0]=3 19415 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Cl)Cl 7a_100011218458_100015614560 [0,2,0,0,0,0|1,0,0]=3 19416 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Cl)I 34a_200015900153_100015614560 [0,2,0,0,0,0|1,1,0]=4 19417 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)Cl)I 7a_200015900153_100015614560 [0,2,0,0,0,0|1,1,0]=4 19418 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)I)Cl 34a_100012343667_100015614560 [0,2,0,0,0,0|1,0,0]=3 19419 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)I)Cl 7a_100012343667_100015614560 [0,2,0,0,0,0|1,0,0]=3 19420 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)N)Br 34a_100011825904_100015614560 [0,2,0,0,0,0|1,1,0]=4 19421 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)N)Br 7a_100011825904_100015614560 [0,2,0,0,0,0|1,1,0]=4 19422 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)N)F 34a_100000130126_100015614560 [0,2,0,0,0,0|1,1,0]=4 19423 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CF)N)F 7a_100000130126_100015614560 [0,2,0,0,0,0|1,1,0]=4 19424 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)Br 34a_100000186369_100009815848 [0,2,0,0,0,0|0,1,0]=3 19425 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)Br 7a_100000186369_100009815848 [0,2,0,0,0,0|0,1,0]=3 19426 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)Cl 34a_100012337756_100009815848 [0,2,0,0,0,0|0,0,0]=2 19427 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)Cl 7a_100012337756_100009815848 [0,2,0,0,0,0|0,0,0]=2 19428 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)I 34a_100010982682_100009815848 [0,2,0,0,0,0|0,1,0]=3 19429 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)I 7a_100010982682_100009815848 [0,2,0,0,0,0|0,1,0]=3 19430 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)N 34a_100010064301_100009815848 [0,2,0,0,0,0|1,0,0]=3 19431 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Br)N 7a_100010064301_100009815848 [0,2,0,0,0,0|1,0,0]=3 19432 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Br 34a_100000187306_100009815848 [0,2,0,0,0,0|0,1,0]=3 19433 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Br 7a_100000187306_100009815848 [0,2,0,0,0,0|0,1,0]=3 19434 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Cl 34a_100000211519_100009815848 [0,2,0,0,0,0|0,0,0]=2 19435 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)Cl 7a_100000211519_100009815848 [0,2,0,0,0,0|0,0,0]=2 19436 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)F 34a_100000081862_100009815848 [0,2,0,0,0,0|0,1,0]=3 19437 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)F 7a_100000081862_100009815848 [0,2,0,0,0,0|0,1,0]=3 19438 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)I 34a_100011216129_100009815848 [0,2,0,0,0,0|0,1,0]=3 19439 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)I 7a_100011216129_100009815848 [0,2,0,0,0,0|0,1,0]=3 19440 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)N 34a_100000703291_100009815848 [0,2,0,0,0,0|1,0,0]=3 19441 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)C)N 7a_100000703291_100009815848 [0,2,0,0,0,0|1,0,0]=3 19442 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Cl)Br 34a_100000211485_100009815848 [0,2,0,0,0,0|0,1,0]=3 19443 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Cl)Br 7a_100000211485_100009815848 [0,2,0,0,0,0|0,1,0]=3 19444 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Cl)Cl 34a_100011218458_100009815848 [0,2,0,0,0,0|0,0,0]=2 19445 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Cl)Cl 7a_100011218458_100009815848 [0,2,0,0,0,0|0,0,0]=2 19446 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Cl)I 34a_200015900153_100009815848 [0,2,0,0,0,0|0,1,0]=3 19447 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)Cl)I 7a_200015900153_100009815848 [0,2,0,0,0,0|0,1,0]=3 19448 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)I)Cl 34a_100012343667_100009815848 [0,2,0,0,0,0|0,0,0]=2 19449 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)I)Cl 7a_100012343667_100009815848 [0,2,0,0,0,0|0,0,0]=2 19450 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)N)Br 34a_100011825904_100009815848 [0,2,0,0,0,0|0,1,0]=3 19451 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)N)Br 7a_100011825904_100009815848 [0,2,0,0,0,0|0,1,0]=3 19452 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)N)F 34a_100000130126_100009815848 [0,2,0,0,0,0|0,1,0]=3 19453 B15R1.38791 Cc1cc(cc(c1OC[C@@H](O)CO)N)F 7a_100000130126_100009815848 [0,2,0,0,0,0|0,1,0]=3 19454 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Br)Br 62a_100011219619_200010208242 [0,2,0,0,0,0|0,2,0]=4 19455 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Br)Br 62a_200010208242_100011219619 [0,2,0,0,0,0|0,2,0]=4 19456 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Br)F 62a_100010208209_100011219619 [0,2,0,0,0,0|0,2,0]=4 19457 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Br)F 62a_100011219619_100010208209 [0,2,0,0,0,0|0,2,0]=4 19458 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)Br 62a_100009814048_100011219619 [0,2,0,0,0,0|0,2,0]=4 19459 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)Br 62a_100011219619_100009814048 [0,2,0,0,0,0|0,2,0]=4 19460 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)Cl 62a_100010244930_100011219619 [0,2,0,0,0,0|0,1,0]=3 19461 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)Cl 62a_100011219619_100010244930 [0,2,0,0,0,0|0,1,0]=3 19462 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)F 62a_100011219619_100012356666 [0,2,0,0,0,0|0,2,0]=4 19463 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)F 62a_100012356666_100011219619 [0,2,0,0,0,0|0,2,0]=4 19464 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)N 62a_100000215964_100011219619 [0,2,0,0,0,0|1,1,0]=4 19465 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)N 62a_100011219619_100000215964 [0,2,0,0,0,0|1,1,0]=4 19466 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)O 62a_100000243743_100011219619 [0,2,0,0,0,0|1,1,0]=4 19467 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)C)O 62a_100011219619_100000243743 [0,2,0,0,0,0|1,1,0]=4 19468 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Cl)Cl 62a_100011219619_200000035511 [0,2,0,0,0,0|0,1,0]=3 19469 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Cl)Cl 62a_200000035511_100011219619 [0,2,0,0,0,0|0,1,0]=3 19470 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Cl)F 62a_100010079234_100011219619 [0,2,0,0,0,0|0,2,0]=4 19471 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)Cl)F 62a_100011219619_100010079234 [0,2,0,0,0,0|0,2,0]=4 19472 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)F)F 62a_100011219619_100015332101 [0,2,0,0,0,0|0,2,0]=4 19473 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)F)F 62a_100015332101_100011219619 [0,2,0,0,0,0|0,2,0]=4 19474 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)F)N 62a_100010115923_100011219619 [0,2,0,0,0,0|1,1,0]=4 19475 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)F)N 62a_100011219619_100010115923 [0,2,0,0,0,0|1,1,0]=4 19476 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)N)Cl 62a_100000698757_100011219619 [0,2,0,0,0,0|0,1,0]=3 19477 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)N)Cl 62a_100011219619_100000698757 [0,2,0,0,0,0|0,1,0]=3 19478 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)O)Cl 62a_100010254216_100011219619 [0,2,0,0,0,0|0,1,0]=3 19479 B15R1.38791 Cc1cc(cc(c1SCC(O)CO)O)Cl 62a_100011219619_100010254216 [0,2,0,0,0,0|0,1,0]=3 19480 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)C)Cl 62a_100000059175_100010244930 [0,2,0,0,0,0|1,1,0]=4 19481 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)C)Cl 62a_100010244930_100000059175 [0,2,0,0,0,0|1,1,0]=4 19482 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)Cl)Cl 62a_100000059175_200000035511 [0,2,0,0,0,0|1,1,0]=4 19483 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)Cl)Cl 62a_200000035511_100000059175 [0,2,0,0,0,0|1,1,0]=4 19484 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)N)Cl 62a_100000059175_100000698757 [0,2,0,0,0,0|1,1,0]=4 19485 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)N)Cl 62a_100000698757_100000059175 [0,2,0,0,0,0|1,1,0]=4 19486 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)O)Cl 62a_100000059175_100010254216 [0,2,0,0,0,0|1,1,0]=4 19487 B15R1.38791 Cc1cc(cc(c1SC[C@@H](C)CO)O)Cl 62a_100010254216_100000059175 [0,2,0,0,0,0|1,1,0]=4 19488 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)C)Cl 62a_100010244930_100015614560 [0,2,0,0,0,0|1,1,0]=4 19489 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)C)Cl 62a_100015614560_100010244930 [0,2,0,0,0,0|1,1,0]=4 19490 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)Cl)Cl 62a_100015614560_200000035511 [0,2,0,0,0,0|1,1,0]=4 19491 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)Cl)Cl 62a_200000035511_100015614560 [0,2,0,0,0,0|1,1,0]=4 19492 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)N)Cl 62a_100000698757_100015614560 [0,2,0,0,0,0|1,1,0]=4 19493 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)N)Cl 62a_100015614560_100000698757 [0,2,0,0,0,0|1,1,0]=4 19494 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)O)Cl 62a_100010254216_100015614560 [0,2,0,0,0,0|1,1,0]=4 19495 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CF)O)Cl 62a_100015614560_100010254216 [0,2,0,0,0,0|1,1,0]=4 19496 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Br)Br 62a_100009815848_200010208242 [0,2,0,0,0,0|0,2,0]=4 19497 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Br)Br 62a_200010208242_100009815848 [0,2,0,0,0,0|0,2,0]=4 19498 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Br)F 62a_100009815848_100010208209 [0,2,0,0,0,0|0,2,0]=4 19499 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Br)F 62a_100010208209_100009815848 [0,2,0,0,0,0|0,2,0]=4 19500 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)Br 62a_100009814048_100009815848 [0,2,0,0,0,0|0,2,0]=4 19501 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)Br 62a_100009815848_100009814048 [0,2,0,0,0,0|0,2,0]=4 19502 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)Cl 62a_100009815848_100010244930 [0,2,0,0,0,0|0,1,0]=3 19503 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)Cl 62a_100010244930_100009815848 [0,2,0,0,0,0|0,1,0]=3 19504 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)F 62a_100009815848_100012356666 [0,2,0,0,0,0|0,2,0]=4 19505 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)F 62a_100012356666_100009815848 [0,2,0,0,0,0|0,2,0]=4 19506 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)N 62a_100000215964_100009815848 [0,2,0,0,0,0|1,1,0]=4 19507 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)N 62a_100009815848_100000215964 [0,2,0,0,0,0|1,1,0]=4 19508 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)O 62a_100000243743_100009815848 [0,2,0,0,0,0|1,1,0]=4 19509 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)C)O 62a_100009815848_100000243743 [0,2,0,0,0,0|1,1,0]=4 19510 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Cl)Cl 62a_100009815848_200000035511 [0,2,0,0,0,0|0,1,0]=3 19511 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Cl)Cl 62a_200000035511_100009815848 [0,2,0,0,0,0|0,1,0]=3 19512 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Cl)F 62a_100009815848_100010079234 [0,2,0,0,0,0|0,2,0]=4 19513 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)Cl)F 62a_100010079234_100009815848 [0,2,0,0,0,0|0,2,0]=4 19514 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)F)F 62a_100009815848_100015332101 [0,2,0,0,0,0|0,2,0]=4 19515 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)F)F 62a_100015332101_100009815848 [0,2,0,0,0,0|0,2,0]=4 19516 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)F)N 62a_100009815848_100010115923 [0,2,0,0,0,0|1,1,0]=4 19517 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)F)N 62a_100010115923_100009815848 [0,2,0,0,0,0|1,1,0]=4 19518 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)N)Cl 62a_100000698757_100009815848 [0,2,0,0,0,0|0,1,0]=3 19519 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)N)Cl 62a_100009815848_100000698757 [0,2,0,0,0,0|0,1,0]=3 19520 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)O)Cl 62a_100009815848_100010254216 [0,2,0,0,0,0|0,1,0]=3 19521 B15R1.38791 Cc1cc(cc(c1SC[C@@H](O)CO)O)Cl 62a_100010254216_100009815848 [0,2,0,0,0,0|0,1,0]=3 19522 B15R1.38791 Cc1nc(cc(c1OCC(O)CO)Br)Br 34a_200010233669_100011219619 [0,2,0,0,0,0|1,1,0]=4 19523 B15R1.38791 Cc1nc(cc(c1OCC(O)CO)Br)Br 7a_200010233669_100011219619 [0,2,0,0,0,0|1,1,0]=4 19524 B15R1.38791 Cc1nc(cc(c1OC[C@@H](O)CO)Br)Br 34a_200010233669_100009815848 [0,2,0,0,0,0|1,1,0]=4 19525 B15R1.38791 Cc1nc(cc(c1OC[C@@H](O)CO)Br)Br 7a_200010233669_100009815848 [0,2,0,0,0,0|1,1,0]=4 19526 B15R1.38791 Nc1cc(c(c(c1)Br)OCC(O)CO)Br 34a_200000186426_100011219619 [0,2,0,0,0,0|1,0,0]=3 19527 B15R1.38791 Nc1cc(c(c(c1)Br)OC[C@@H](O)CF)Br 34a_200000186426_100015614560 [0,2,0,0,0,0|2,0,0]=4 19528 B15R1.38791 Nc1cc(c(c(c1)Br)OC[C@@H](O)CO)Br 34a_200000186426_100009815848 [0,2,0,0,0,0|1,0,0]=3 19529 B15R1.38791 Nc1cc(c(c(c1)Cl)OCC(O)CO)Cl 34a_100000695418_100011219619 [0,2,0,0,0,0|1,0,0]=3 19530 B15R1.38791 Nc1cc(c(c(c1)Cl)OCC(O)CO)Cl 7a_100000695418_100011219619 [0,2,0,0,0,0|1,0,0]=3 19531 B15R1.38791 Nc1cc(c(c(c1)Cl)OC[C@@H](O)CF)Cl 34a_100000695418_100015614560 [0,2,0,0,0,0|2,0,0]=4 19532 B15R1.38791 Nc1cc(c(c(c1)Cl)OC[C@@H](O)CF)Cl 7a_100000695418_100015614560 [0,2,0,0,0,0|2,0,0]=4 19533 B15R1.38791 Nc1cc(c(c(c1)Cl)OC[C@@H](O)CO)Cl 34a_100000695418_100009815848 [0,2,0,0,0,0|1,0,0]=3 19534 B15R1.38791 Nc1cc(c(c(c1)Cl)OC[C@@H](O)CO)Cl 7a_100000695418_100009815848 [0,2,0,0,0,0|1,0,0]=3 19535 B15R1.38791 Nc1cc(c(c(c1)Cl)SCC(O)CO)F 62a_100011219619_100014833993 [0,2,0,0,0,0|1,1,0]=4 19536 B15R1.38791 Nc1cc(c(c(c1)Cl)SCC(O)CO)F 62a_100014833993_100011219619 [0,2,0,0,0,0|1,1,0]=4 19537 B15R1.38791 Nc1cc(c(c(c1)Cl)SC[C@@H](O)CO)F 62a_100009815848_100014833993 [0,2,0,0,0,0|1,1,0]=4 19538 B15R1.38791 Nc1cc(c(c(c1)Cl)SC[C@@H](O)CO)F 62a_100014833993_100009815848 [0,2,0,0,0,0|1,1,0]=4 19539 B15R1.38791 Nc1cc(c(c(c1)F)OCC(O)CO)F 34a_100016987357_100011219619 [0,2,0,0,0,0|1,0,0]=3 19540 B15R1.38791 Nc1cc(c(c(c1)F)OCC(O)CO)F 7a_100016987357_100011219619 [0,2,0,0,0,0|1,0,0]=3 19541 B15R1.38791 Nc1cc(c(c(c1)F)OC[C@@H](O)CF)F 34a_100016987357_100015614560 [0,2,0,0,0,0|2,0,0]=4 19542 B15R1.38791 Nc1cc(c(c(c1)F)OC[C@@H](O)CF)F 7a_100016987357_100015614560 [0,2,0,0,0,0|2,0,0]=4 19543 B15R1.38791 Nc1cc(c(c(c1)F)OC[C@@H](O)CO)F 34a_100016987357_100009815848 [0,2,0,0,0,0|1,0,0]=3 19544 B15R1.38791 Nc1cc(c(c(c1)F)OC[C@@H](O)CO)F 7a_100016987357_100009815848 [0,2,0,0,0,0|1,0,0]=3 19545 B15R1.38791 Nc1cc(c(c(c1)F)SCC(O)CO)F 62a_100000057532_100011219619 [0,2,0,0,0,0|1,1,0]=4 19546 B15R1.38791 Nc1cc(c(c(c1)F)SCC(O)CO)F 62a_100011219619_100000057532 [0,2,0,0,0,0|1,1,0]=4 19547 B15R1.38791 Nc1cc(c(c(c1)F)SC[C@@H](O)CO)F 62a_100000057532_100009815848 [0,2,0,0,0,0|1,1,0]=4 19548 B15R1.38791 Nc1cc(c(c(c1)F)SC[C@@H](O)CO)F 62a_100009815848_100000057532 [0,2,0,0,0,0|1,1,0]=4 19549 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Br)Br 34a_100010781877_100011219619 [0,2,0,0,0,0|0,1,0]=3 19550 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Br)Br 7a_100010781877_100011219619 [0,2,0,0,0,0|0,1,0]=3 19551 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Br)Cl 34a_106741647128_100011219619 [0,2,0,0,0,0|0,0,0]=2 19552 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Br)Cl 7a_106741647128_100011219619 [0,2,0,0,0,0|0,0,0]=2 19553 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Br)F 34a_200011217456_100011219619 [0,2,0,0,0,0|0,1,0]=3 19554 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Br)F 7a_200011217456_100011219619 [0,2,0,0,0,0|0,1,0]=3 19555 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Cl)Br 34a_100000694353_100011219619 [0,2,0,0,0,0|0,1,0]=3 19556 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Cl)Br 7a_100000694353_100011219619 [0,2,0,0,0,0|0,1,0]=3 19557 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Cl)Cl 34a_100000695819_100011219619 [0,2,0,0,0,0|0,0,0]=2 19558 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)Cl)Cl 7a_100000695819_100011219619 [0,2,0,0,0,0|0,0,0]=2 19559 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)F)Br 34a_100011217383_100011219619 [0,2,0,0,0,0|0,1,0]=3 19560 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)F)Br 7a_100011217383_100011219619 [0,2,0,0,0,0|0,1,0]=3 19561 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)F)F 34a_100015205836_100011219619 [0,2,0,0,0,0|0,1,0]=3 19562 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)F)F 7a_100015205836_100011219619 [0,2,0,0,0,0|0,1,0]=3 19563 B15R1.38791 Nc1cc(cc(c1OCC(O)CO)I)Br 7a_100016071998_100011219619 [0,2,0,0,0,0|0,1,0]=3 19564 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Br)Br 34a_100010781877_100015614560 [0,2,0,0,0,0|1,1,0]=4 19565 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Br)Br 7a_100010781877_100015614560 [0,2,0,0,0,0|1,1,0]=4 19566 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Br)Cl 34a_106741647128_100015614560 [0,2,0,0,0,0|1,0,0]=3 19567 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Br)Cl 7a_106741647128_100015614560 [0,2,0,0,0,0|1,0,0]=3 19568 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Br)F 34a_200011217456_100015614560 [0,2,0,0,0,0|1,1,0]=4 19569 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Br)F 7a_200011217456_100015614560 [0,2,0,0,0,0|1,1,0]=4 19570 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Cl)Br 34a_100000694353_100015614560 [0,2,0,0,0,0|1,1,0]=4 19571 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Cl)Br 7a_100000694353_100015614560 [0,2,0,0,0,0|1,1,0]=4 19572 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Cl)Cl 34a_100000695819_100015614560 [0,2,0,0,0,0|1,0,0]=3 19573 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)Cl)Cl 7a_100000695819_100015614560 [0,2,0,0,0,0|1,0,0]=3 19574 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)F)Br 34a_100011217383_100015614560 [0,2,0,0,0,0|1,1,0]=4 19575 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)F)Br 7a_100011217383_100015614560 [0,2,0,0,0,0|1,1,0]=4 19576 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)F)F 34a_100015205836_100015614560 [0,2,0,0,0,0|1,1,0]=4 19577 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)F)F 7a_100015205836_100015614560 [0,2,0,0,0,0|1,1,0]=4 19578 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CF)I)Br 7a_100016071998_100015614560 [0,2,0,0,0,0|1,1,0]=4 19579 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Br)Br 34a_100010781877_100009815848 [0,2,0,0,0,0|0,1,0]=3 19580 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Br)Br 7a_100010781877_100009815848 [0,2,0,0,0,0|0,1,0]=3 19581 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Br)Cl 34a_106741647128_100009815848 [0,2,0,0,0,0|0,0,0]=2 19582 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Br)Cl 7a_106741647128_100009815848 [0,2,0,0,0,0|0,0,0]=2 19583 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Br)F 34a_200011217456_100009815848 [0,2,0,0,0,0|0,1,0]=3 19584 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Br)F 7a_200011217456_100009815848 [0,2,0,0,0,0|0,1,0]=3 19585 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Cl)Br 34a_100000694353_100009815848 [0,2,0,0,0,0|0,1,0]=3 19586 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Cl)Br 7a_100000694353_100009815848 [0,2,0,0,0,0|0,1,0]=3 19587 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Cl)Cl 34a_100000695819_100009815848 [0,2,0,0,0,0|0,0,0]=2 19588 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)Cl)Cl 7a_100000695819_100009815848 [0,2,0,0,0,0|0,0,0]=2 19589 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)F)Br 34a_100011217383_100009815848 [0,2,0,0,0,0|0,1,0]=3 19590 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)F)Br 7a_100011217383_100009815848 [0,2,0,0,0,0|0,1,0]=3 19591 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)F)F 34a_100015205836_100009815848 [0,2,0,0,0,0|0,1,0]=3 19592 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)F)F 7a_100015205836_100009815848 [0,2,0,0,0,0|0,1,0]=3 19593 B15R1.38791 Nc1cc(cc(c1OC[C@@H](O)CO)I)Br 7a_100016071998_100009815848 [0,2,0,0,0,0|0,1,0]=3 19594 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)Br)Cl 62a_100011155807_100011219619 [0,2,0,0,0,0|0,1,0]=3 19595 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)Br)Cl 62a_100011219619_100011155807 [0,2,0,0,0,0|0,1,0]=3 19596 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)Br)F 62a_100011219619_200010740111 [0,2,0,0,0,0|0,2,0]=4 19597 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)Br)F 62a_200010740111_100011219619 [0,2,0,0,0,0|0,2,0]=4 19598 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)F)Cl 62a_100011219619_200021297760 [0,2,0,0,0,0|0,1,0]=3 19599 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)F)Cl 62a_200021297760_100011219619 [0,2,0,0,0,0|0,1,0]=3 19600 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)F)F 62a_100000716482_100011219619 [0,2,0,0,0,0|0,2,0]=4 19601 B15R1.38791 Nc1cc(cc(c1SCC(O)CO)F)F 62a_100011219619_100000716482 [0,2,0,0,0,0|0,2,0]=4 19602 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CF)Br)Cl 62a_100011155807_100015614560 [0,2,0,0,0,0|1,1,0]=4 19603 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CF)Br)Cl 62a_100015614560_100011155807 [0,2,0,0,0,0|1,1,0]=4 19604 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CF)F)Cl 62a_100015614560_200021297760 [0,2,0,0,0,0|1,1,0]=4 19605 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CF)F)Cl 62a_200021297760_100015614560 [0,2,0,0,0,0|1,1,0]=4 19606 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)Br)Cl 62a_100009815848_100011155807 [0,2,0,0,0,0|0,1,0]=3 19607 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)Br)Cl 62a_100011155807_100009815848 [0,2,0,0,0,0|0,1,0]=3 19608 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)Br)F 62a_100009815848_200010740111 [0,2,0,0,0,0|0,2,0]=4 19609 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)Br)F 62a_200010740111_100009815848 [0,2,0,0,0,0|0,2,0]=4 19610 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)F)Cl 62a_100009815848_200021297760 [0,2,0,0,0,0|0,1,0]=3 19611 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)F)Cl 62a_200021297760_100009815848 [0,2,0,0,0,0|0,1,0]=3 19612 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)F)F 62a_100000716482_100009815848 [0,2,0,0,0,0|0,2,0]=4 19613 B15R1.38791 Nc1cc(cc(c1SC[C@@H](O)CO)F)F 62a_100009815848_100000716482 [0,2,0,0,0,0|0,2,0]=4 19614 B15R1.38791 Nc1cc(nc(c1SCC(O)CO)Cl)Cl 62a_100011219619_100021004378 [0,2,0,0,0,0|1,1,0]=4 19615 B15R1.38791 Nc1cc(nc(c1SCC(O)CO)Cl)Cl 62a_100021004378_100011219619 [0,2,0,0,0,0|1,1,0]=4 19616 B15R1.38791 Nc1cc(nc(c1SC[C@@H](O)CO)Cl)Cl 62a_100009815848_100021004378 [0,2,0,0,0,0|1,1,0]=4 19617 B15R1.38791 Nc1cc(nc(c1SC[C@@H](O)CO)Cl)Cl 62a_100021004378_100009815848 [0,2,0,0,0,0|1,1,0]=4 19618 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)Br)Cl 34a_100011216035_100011219619 [0,2,0,0,0,0|1,1,0]=4 19619 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)Br)F 34a_100011215609_100011219619 [0,2,0,0,0,0|1,1,0]=4 19620 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100011219619 [0,2,0,0,0,0|1,0,0]=3 19621 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100011219619 [0,2,0,0,0,0|1,0,0]=3 19622 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)Cl)F 34a_100011217455_100011219619 [0,2,0,0,0,0|1,0,0]=3 19623 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)F)Br 34a_100000211720_100011219619 [0,2,0,0,0,0|1,1,0]=4 19624 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)F)Cl 34a_100000694656_100011219619 [0,2,0,0,0,0|1,1,0]=4 19625 B15R1.38791 OCC(O)CNc1c(cc(cc1Br)F)F 34a_100000211602_100011219619 [0,2,0,0,0,0|1,1,0]=4 19626 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100011219619 [0,2,0,0,0,0|1,1,0]=4 19627 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)Br)F 34a_100000725741_100011219619 [0,2,0,0,0,0|1,1,0]=4 19628 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)Br)F 7a_100000725741_100011219619 [0,2,0,0,0,0|1,1,0]=4 19629 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100011219619 [0,2,0,0,0,0|1,0,0]=3 19630 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100011219619 [0,2,0,0,0,0|1,0,0]=3 19631 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100011219619 [0,2,0,0,0,0|1,0,0]=3 19632 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)F)Cl 34a_100000688861_100011219619 [0,2,0,0,0,0|1,1,0]=4 19633 B15R1.38791 OCC(O)CNc1c(cc(cc1Cl)F)F 34a_100000688773_100011219619 [0,2,0,0,0,0|1,1,0]=4 19634 B15R1.38791 OCC(O)CNc1c(cc(cc1F)Br)F 34a_100000758902_100011219619 [0,2,0,0,0,0|1,1,0]=4 19635 B15R1.38791 OCC(O)CNc1c(cc(cc1F)Br)F 7a_100000758902_100011219619 [0,2,0,0,0,0|1,1,0]=4 19636 B15R1.38791 OCC(O)CNc1c(cc(cc1F)Br)O 34a_100015475841_100011219619 [0,2,0,0,0,0|1,1,0]=4 19637 B15R1.38791 OCC(O)CNc1c(cc(cc1F)Cl)F 34a_100000695146_100011219619 [0,2,0,0,0,0|1,0,0]=3 19638 B15R1.38791 OCC(O)CNc1c(cc(cc1F)Cl)F 7a_100000695146_100011219619 [0,2,0,0,0,0|1,0,0]=3 19639 B15R1.38791 OCC(O)CNc1c(cc(cc1F)Cl)O 34a_100010883250_100011219619 [0,2,0,0,0,0|1,0,0]=3 19640 B15R1.38791 OCC(O)CNc1c(cc(cc1F)Cl)O 7a_100010883250_100011219619 [0,2,0,0,0,0|1,0,0]=3 19641 B15R1.38791 OCC(O)CNc1c(cc(cc1F)F)F 34a_100000760425_100011219619 [0,2,0,0,0,0|1,1,0]=4 19642 B15R1.38791 OCC(O)CNc1c(cc(cc1F)F)O 34a_100011217947_100011219619 [0,2,0,0,0,0|1,1,0]=4 19643 B15R1.38791 OCC(O)CNc1c(cc(cc1F)F)O 7a_100011217947_100011219619 [0,2,0,0,0,0|1,1,0]=4 19644 B15R1.38791 OCC(O)CNc1c(cc(cc1F)I)F 34a_100012353610_100011219619 [0,2,0,0,0,0|1,1,0]=4 19645 B15R1.38791 OCC(O)CNc1c(cc(cc1F)O)F 34a_100000036573_100011219619 [0,2,0,0,0,0|2,0,0]=4 19646 B15R1.38791 OCC(O)CNc1c(cc(cc1I)F)F 34a_100102885649_100011219619 [0,2,0,0,0,0|1,1,0]=4 19647 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Br)Br 34a_100000210219_100011219619 [0,2,0,0,0,0|0,1,0]=3 19648 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Br)Br 7a_100000210219_100011219619 [0,2,0,0,0,0|0,1,0]=3 19649 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100011219619 [0,2,0,0,0,0|0,1,0]=3 19650 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Br)Cl 7a_100012337755_100011219619 [0,2,0,0,0,0|0,1,0]=3 19651 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Br)F 34a_100011216695_100011219619 [0,2,0,0,0,0|0,1,0]=3 19652 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Br)F 7a_100011216695_100011219619 [0,2,0,0,0,0|0,1,0]=3 19653 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100011219619 [0,2,0,0,0,0|0,0,0]=2 19654 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100011219619 [0,2,0,0,0,0|0,0,0]=2 19655 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100011219619 [0,2,0,0,0,0|0,0,0]=2 19656 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100011219619 [0,2,0,0,0,0|0,0,0]=2 19657 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100011219619 [0,2,0,0,0,0|0,0,0]=2 19658 B15R1.38791 OCC(O)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100011219619 [0,2,0,0,0,0|0,0,0]=2 19659 B15R1.38791 OCC(O)COc1c(cc(cc1Br)F)Br 34a_100011215434_100011219619 [0,2,0,0,0,0|0,1,0]=3 19660 B15R1.38791 OCC(O)COc1c(cc(cc1Br)F)Br 7a_100011215434_100011219619 [0,2,0,0,0,0|0,1,0]=3 19661 B15R1.38791 OCC(O)COc1c(cc(cc1Br)F)Cl 34a_100011830411_100011219619 [0,2,0,0,0,0|0,1,0]=3 19662 B15R1.38791 OCC(O)COc1c(cc(cc1Br)F)Cl 7a_100011830411_100011219619 [0,2,0,0,0,0|0,1,0]=3 19663 B15R1.38791 OCC(O)COc1c(cc(cc1Br)F)F 34a_100000688693_100011219619 [0,2,0,0,0,0|0,1,0]=3 19664 B15R1.38791 OCC(O)COc1c(cc(cc1Br)F)F 7a_100000688693_100011219619 [0,2,0,0,0,0|0,1,0]=3 19665 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100011219619 [0,2,0,0,0,0|0,1,0]=3 19666 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100011219619 [0,2,0,0,0,0|0,1,0]=3 19667 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)Br)F 34a_100011216646_100011219619 [0,2,0,0,0,0|0,1,0]=3 19668 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)Br)F 7a_100011216646_100011219619 [0,2,0,0,0,0|0,1,0]=3 19669 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100011219619 [0,2,0,0,0,0|0,0,0]=2 19670 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100011219619 [0,2,0,0,0,0|0,0,0]=2 19671 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100011219619 [0,2,0,0,0,0|0,1,0]=3 19672 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)F)Cl 7a_100011217724_100011219619 [0,2,0,0,0,0|0,1,0]=3 19673 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)F)F 34a_100011935252_100011219619 [0,2,0,0,0,0|0,1,0]=3 19674 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)F)F 7a_100011935252_100011219619 [0,2,0,0,0,0|0,1,0]=3 19675 B15R1.38791 OCC(O)COc1c(cc(cc1Cl)I)Cl 7a_100012339652_100011219619 [0,2,0,0,0,0|0,1,0]=3 19676 B15R1.38791 OCC(O)COc1c(cc(cc1F)Br)F 34a_100011216917_100011219619 [0,2,0,0,0,0|0,1,0]=3 19677 B15R1.38791 OCC(O)COc1c(cc(cc1F)Br)F 7a_100011216917_100011219619 [0,2,0,0,0,0|0,1,0]=3 19678 B15R1.38791 OCC(O)COc1c(cc(cc1F)Cl)F 34a_100011830429_100011219619 [0,2,0,0,0,0|0,0,0]=2 19679 B15R1.38791 OCC(O)COc1c(cc(cc1F)Cl)F 7a_100011830429_100011219619 [0,2,0,0,0,0|0,0,0]=2 19680 B15R1.38791 OCC(O)COc1c(cc(cc1F)F)F 34a_100011218396_100011219619 [0,2,0,0,0,0|0,1,0]=3 19681 B15R1.38791 OCC(O)COc1c(cc(cc1F)F)F 7a_100011218396_100011219619 [0,2,0,0,0,0|0,1,0]=3 19682 B15R1.38791 OCC(O)COc1c(cc(cc1F)I)F 34a_200011830255_100011219619 [0,2,0,0,0,0|0,1,0]=3 19683 B15R1.38791 OCC(O)COc1c(cc(cc1F)I)F 7a_200011830255_100011219619 [0,2,0,0,0,0|0,1,0]=3 19684 B15R1.38791 OCC(O)COc1c(cc(cc1I)Br)F 34a_100013354677_100011219619 [0,2,0,0,0,0|0,1,0]=3 19685 B15R1.38791 OCC(O)COc1c(cc(cc1I)Br)F 7a_100013354677_100011219619 [0,2,0,0,0,0|0,1,0]=3 19686 B15R1.38791 OCC(O)COc1c(cc(cc1I)Br)I 7a_100009997433_100011219619 [0,2,0,0,0,0|0,1,0]=3 19687 B15R1.38791 OCC(O)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100011219619 [0,2,0,0,0,0|0,0,0]=2 19688 B15R1.38791 OCC(O)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100011219619 [0,2,0,0,0,0|0,0,0]=2 19689 B15R1.38791 OCC(O)COc1c(cc(cc1I)Cl)I 7a_100000730656_100011219619 [0,2,0,0,0,0|0,0,0]=2 19690 B15R1.38791 OCC(O)COc1c(cc(cc1I)F)Br 34a_200013085147_100011219619 [0,2,0,0,0,0|0,1,0]=3 19691 B15R1.38791 OCC(O)COc1c(cc(cc1I)F)Br 7a_200013085147_100011219619 [0,2,0,0,0,0|0,1,0]=3 19692 B15R1.38791 OCC(O)COc1c(cc(cc1I)F)F 34a_200013204775_100011219619 [0,2,0,0,0,0|0,1,0]=3 19693 B15R1.38791 OCC(O)COc1c(cc(cc1I)F)F 7a_200013204775_100011219619 [0,2,0,0,0,0|0,1,0]=3 19694 B15R1.38791 OCC(O)COc1c(cc(cc1I)I)Cl 7a_100009997439_100011219619 [0,2,0,0,0,0|0,1,0]=3 19695 B15R1.38791 OCC(O)COc1c(cc(nc1Br)F)Br 34a_200015805819_100011219619 [0,2,0,0,0,0|1,1,0]=4 19696 B15R1.38791 OCC(O)COc1c(cc(nc1Br)F)Br 7a_200015805819_100011219619 [0,2,0,0,0,0|1,1,0]=4 19697 B15R1.38791 OCC(O)COc1c(cc(nc1F)Br)Br 34a_200010191512_100011219619 [0,2,0,0,0,0|1,1,0]=4 19698 B15R1.38791 OCC(O)COc1c(cc(nc1F)Br)Br 7a_200010191512_100011219619 [0,2,0,0,0,0|1,1,0]=4 19699 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Br)Br 62a_100011219619_100011263223 [0,2,0,0,0,0|0,2,0]=4 19700 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Br)Br 62a_100011263223_100011219619 [0,2,0,0,0,0|0,2,0]=4 19701 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Br)F 62a_100000708766_100011219619 [0,2,0,0,0,0|0,2,0]=4 19702 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Br)F 62a_100011219619_100000708766 [0,2,0,0,0,0|0,2,0]=4 19703 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Cl)Cl 62a_100011219619_200009992027 [0,2,0,0,0,0|0,1,0]=3 19704 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100011219619 [0,2,0,0,0,0|0,1,0]=3 19705 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Cl)F 62a_100009993495_100011219619 [0,2,0,0,0,0|0,1,0]=3 19706 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)Cl)F 62a_100011219619_100009993495 [0,2,0,0,0,0|0,1,0]=3 19707 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)F)Br 62a_100009813983_100011219619 [0,2,0,0,0,0|0,2,0]=4 19708 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)F)Br 62a_100011219619_100009813983 [0,2,0,0,0,0|0,2,0]=4 19709 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)F)Cl 62a_100011219619_100012356682 [0,2,0,0,0,0|0,2,0]=4 19710 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)F)Cl 62a_100012356682_100011219619 [0,2,0,0,0,0|0,2,0]=4 19711 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)F)F 62a_100000720994_100011219619 [0,2,0,0,0,0|0,2,0]=4 19712 B15R1.38791 OCC(O)CSc1c(cc(cc1Br)F)F 62a_100011219619_100000720994 [0,2,0,0,0,0|0,2,0]=4 19713 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)Br)Cl 62a_100011219619_200011263224 [0,2,0,0,0,0|0,2,0]=4 19714 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100011219619 [0,2,0,0,0,0|0,2,0]=4 19715 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)Br)F 62a_100010212234_100011219619 [0,2,0,0,0,0|0,2,0]=4 19716 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)Br)F 62a_100011219619_100010212234 [0,2,0,0,0,0|0,2,0]=4 19717 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)Cl)Cl 62a_100011219619_200011216440 [0,2,0,0,0,0|0,1,0]=3 19718 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100011219619 [0,2,0,0,0,0|0,1,0]=3 19719 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)F)Cl 62a_100010175091_100011219619 [0,2,0,0,0,0|0,2,0]=4 19720 B15R1.38791 OCC(O)CSc1c(cc(cc1Cl)F)Cl 62a_100011219619_100010175091 [0,2,0,0,0,0|0,2,0]=4 19721 B15R1.38791 OCC(O)CSc1c(cc(cc1F)Br)F 62a_100009813614_100011219619 [0,2,0,0,0,0|0,2,0]=4 19722 B15R1.38791 OCC(O)CSc1c(cc(cc1F)Br)F 62a_100011219619_100009813614 [0,2,0,0,0,0|0,2,0]=4 19723 B15R1.38791 OCC(O)CSc1c(cc(cc1F)F)F 62a_100000243675_100011219619 [0,2,0,0,0,0|0,2,0]=4 19724 B15R1.38791 OCC(O)CSc1c(cc(cc1F)F)F 62a_100011219619_100000243675 [0,2,0,0,0,0|0,2,0]=4 19725 B15R1.38791 OCC(O)CSc1c(cc(cc1F)F)O 62a_100009815984_100011219619 [0,2,0,0,0,0|0,2,0]=4 19726 B15R1.38791 OCC(O)CSc1c(cc(cc1F)F)O 62a_100011219619_100009815984 [0,2,0,0,0,0|0,2,0]=4 19727 B15R1.38791 OCC(O)CSc1c(cc(cc1F)O)F 62a_100009816007_100011219619 [0,2,0,0,0,0|1,1,0]=4 19728 B15R1.38791 OCC(O)CSc1c(cc(cc1F)O)F 62a_100011219619_100009816007 [0,2,0,0,0,0|1,1,0]=4 19729 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)Br)Cl 34a_100011216035_100009815848 [0,2,0,0,0,0|1,1,0]=4 19730 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)Br)F 34a_100011215609_100009815848 [0,2,0,0,0,0|1,1,0]=4 19731 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100009815848 [0,2,0,0,0,0|1,0,0]=3 19732 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100009815848 [0,2,0,0,0,0|1,0,0]=3 19733 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)Cl)F 34a_100011217455_100009815848 [0,2,0,0,0,0|1,0,0]=3 19734 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)F)Br 34a_100000211720_100009815848 [0,2,0,0,0,0|1,1,0]=4 19735 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)F)Cl 34a_100000694656_100009815848 [0,2,0,0,0,0|1,1,0]=4 19736 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Br)F)F 34a_100000211602_100009815848 [0,2,0,0,0,0|1,1,0]=4 19737 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)Br)Cl 34a_100000211608_100009815848 [0,2,0,0,0,0|1,1,0]=4 19738 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)Br)F 34a_100000725741_100009815848 [0,2,0,0,0,0|1,1,0]=4 19739 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)Br)F 7a_100000725741_100009815848 [0,2,0,0,0,0|1,1,0]=4 19740 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100009815848 [0,2,0,0,0,0|1,0,0]=3 19741 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100009815848 [0,2,0,0,0,0|1,0,0]=3 19742 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100009815848 [0,2,0,0,0,0|1,0,0]=3 19743 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)F)Cl 34a_100000688861_100009815848 [0,2,0,0,0,0|1,1,0]=4 19744 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1Cl)F)F 34a_100000688773_100009815848 [0,2,0,0,0,0|1,1,0]=4 19745 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)Br)F 34a_100000758902_100009815848 [0,2,0,0,0,0|1,1,0]=4 19746 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)Br)F 7a_100000758902_100009815848 [0,2,0,0,0,0|1,1,0]=4 19747 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)Br)O 34a_100015475841_100009815848 [0,2,0,0,0,0|1,1,0]=4 19748 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)Cl)F 34a_100000695146_100009815848 [0,2,0,0,0,0|1,0,0]=3 19749 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)Cl)F 7a_100000695146_100009815848 [0,2,0,0,0,0|1,0,0]=3 19750 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)Cl)O 34a_100010883250_100009815848 [0,2,0,0,0,0|1,0,0]=3 19751 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)Cl)O 7a_100010883250_100009815848 [0,2,0,0,0,0|1,0,0]=3 19752 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)F)F 34a_100000760425_100009815848 [0,2,0,0,0,0|1,1,0]=4 19753 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)F)O 34a_100011217947_100009815848 [0,2,0,0,0,0|1,1,0]=4 19754 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)F)O 7a_100011217947_100009815848 [0,2,0,0,0,0|1,1,0]=4 19755 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)I)F 34a_100012353610_100009815848 [0,2,0,0,0,0|1,1,0]=4 19756 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1F)O)F 34a_100000036573_100009815848 [0,2,0,0,0,0|2,0,0]=4 19757 B15R1.38791 OC[C@H](O)CNc1c(cc(cc1I)F)F 34a_100102885649_100009815848 [0,2,0,0,0,0|1,1,0]=4 19758 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Br)Br 34a_100000210219_100009815848 [0,2,0,0,0,0|0,1,0]=3 19759 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Br)Br 7a_100000210219_100009815848 [0,2,0,0,0,0|0,1,0]=3 19760 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100009815848 [0,2,0,0,0,0|0,1,0]=3 19761 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Br)Cl 7a_100012337755_100009815848 [0,2,0,0,0,0|0,1,0]=3 19762 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Br)F 34a_100011216695_100009815848 [0,2,0,0,0,0|0,1,0]=3 19763 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Br)F 7a_100011216695_100009815848 [0,2,0,0,0,0|0,1,0]=3 19764 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100009815848 [0,2,0,0,0,0|0,0,0]=2 19765 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100009815848 [0,2,0,0,0,0|0,0,0]=2 19766 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100009815848 [0,2,0,0,0,0|0,0,0]=2 19767 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100009815848 [0,2,0,0,0,0|0,0,0]=2 19768 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100009815848 [0,2,0,0,0,0|0,0,0]=2 19769 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100009815848 [0,2,0,0,0,0|0,0,0]=2 19770 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)F)Br 34a_100011215434_100009815848 [0,2,0,0,0,0|0,1,0]=3 19771 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)F)Br 7a_100011215434_100009815848 [0,2,0,0,0,0|0,1,0]=3 19772 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)F)Cl 34a_100011830411_100009815848 [0,2,0,0,0,0|0,1,0]=3 19773 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)F)Cl 7a_100011830411_100009815848 [0,2,0,0,0,0|0,1,0]=3 19774 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)F)F 34a_100000688693_100009815848 [0,2,0,0,0,0|0,1,0]=3 19775 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Br)F)F 7a_100000688693_100009815848 [0,2,0,0,0,0|0,1,0]=3 19776 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100009815848 [0,2,0,0,0,0|0,1,0]=3 19777 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100009815848 [0,2,0,0,0,0|0,1,0]=3 19778 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)Br)F 34a_100011216646_100009815848 [0,2,0,0,0,0|0,1,0]=3 19779 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)Br)F 7a_100011216646_100009815848 [0,2,0,0,0,0|0,1,0]=3 19780 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100009815848 [0,2,0,0,0,0|0,0,0]=2 19781 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100009815848 [0,2,0,0,0,0|0,0,0]=2 19782 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100009815848 [0,2,0,0,0,0|0,1,0]=3 19783 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)F)Cl 7a_100011217724_100009815848 [0,2,0,0,0,0|0,1,0]=3 19784 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)F)F 34a_100011935252_100009815848 [0,2,0,0,0,0|0,1,0]=3 19785 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)F)F 7a_100011935252_100009815848 [0,2,0,0,0,0|0,1,0]=3 19786 B15R1.38791 OC[C@H](O)COc1c(cc(cc1Cl)I)Cl 7a_100012339652_100009815848 [0,2,0,0,0,0|0,1,0]=3 19787 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)Br)F 34a_100011216917_100009815848 [0,2,0,0,0,0|0,1,0]=3 19788 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)Br)F 7a_100011216917_100009815848 [0,2,0,0,0,0|0,1,0]=3 19789 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)Cl)F 34a_100011830429_100009815848 [0,2,0,0,0,0|0,0,0]=2 19790 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)Cl)F 7a_100011830429_100009815848 [0,2,0,0,0,0|0,0,0]=2 19791 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)F)F 34a_100011218396_100009815848 [0,2,0,0,0,0|0,1,0]=3 19792 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)F)F 7a_100011218396_100009815848 [0,2,0,0,0,0|0,1,0]=3 19793 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)I)F 34a_200011830255_100009815848 [0,2,0,0,0,0|0,1,0]=3 19794 B15R1.38791 OC[C@H](O)COc1c(cc(cc1F)I)F 7a_200011830255_100009815848 [0,2,0,0,0,0|0,1,0]=3 19795 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)Br)F 34a_100013354677_100009815848 [0,2,0,0,0,0|0,1,0]=3 19796 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)Br)F 7a_100013354677_100009815848 [0,2,0,0,0,0|0,1,0]=3 19797 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)Br)I 7a_100009997433_100009815848 [0,2,0,0,0,0|0,1,0]=3 19798 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100009815848 [0,2,0,0,0,0|0,0,0]=2 19799 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100009815848 [0,2,0,0,0,0|0,0,0]=2 19800 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)Cl)I 7a_100000730656_100009815848 [0,2,0,0,0,0|0,0,0]=2 19801 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)F)Br 34a_200013085147_100009815848 [0,2,0,0,0,0|0,1,0]=3 19802 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)F)Br 7a_200013085147_100009815848 [0,2,0,0,0,0|0,1,0]=3 19803 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)F)F 34a_200013204775_100009815848 [0,2,0,0,0,0|0,1,0]=3 19804 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)F)F 7a_200013204775_100009815848 [0,2,0,0,0,0|0,1,0]=3 19805 B15R1.38791 OC[C@H](O)COc1c(cc(cc1I)I)Cl 7a_100009997439_100009815848 [0,2,0,0,0,0|0,1,0]=3 19806 B15R1.38791 OC[C@H](O)COc1c(cc(nc1Br)F)Br 34a_200015805819_100009815848 [0,2,0,0,0,0|1,1,0]=4 19807 B15R1.38791 OC[C@H](O)COc1c(cc(nc1Br)F)Br 7a_200015805819_100009815848 [0,2,0,0,0,0|1,1,0]=4 19808 B15R1.38791 OC[C@H](O)COc1c(cc(nc1F)Br)Br 34a_200010191512_100009815848 [0,2,0,0,0,0|1,1,0]=4 19809 B15R1.38791 OC[C@H](O)COc1c(cc(nc1F)Br)Br 7a_200010191512_100009815848 [0,2,0,0,0,0|1,1,0]=4 19810 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Br)Br 62a_100009815848_100011263223 [0,2,0,0,0,0|0,2,0]=4 19811 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Br)Br 62a_100011263223_100009815848 [0,2,0,0,0,0|0,2,0]=4 19812 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Br)F 62a_100000708766_100009815848 [0,2,0,0,0,0|0,2,0]=4 19813 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Br)F 62a_100009815848_100000708766 [0,2,0,0,0,0|0,2,0]=4 19814 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Cl)Cl 62a_100009815848_200009992027 [0,2,0,0,0,0|0,1,0]=3 19815 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100009815848 [0,2,0,0,0,0|0,1,0]=3 19816 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Cl)F 62a_100009815848_100009993495 [0,2,0,0,0,0|0,1,0]=3 19817 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)Cl)F 62a_100009993495_100009815848 [0,2,0,0,0,0|0,1,0]=3 19818 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)F)Br 62a_100009813983_100009815848 [0,2,0,0,0,0|0,2,0]=4 19819 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)F)Br 62a_100009815848_100009813983 [0,2,0,0,0,0|0,2,0]=4 19820 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)F)Cl 62a_100009815848_100012356682 [0,2,0,0,0,0|0,2,0]=4 19821 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)F)Cl 62a_100012356682_100009815848 [0,2,0,0,0,0|0,2,0]=4 19822 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)F)F 62a_100000720994_100009815848 [0,2,0,0,0,0|0,2,0]=4 19823 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Br)F)F 62a_100009815848_100000720994 [0,2,0,0,0,0|0,2,0]=4 19824 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)Br)Cl 62a_100009815848_200011263224 [0,2,0,0,0,0|0,2,0]=4 19825 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)Br)Cl 62a_200011263224_100009815848 [0,2,0,0,0,0|0,2,0]=4 19826 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)Br)F 62a_100009815848_100010212234 [0,2,0,0,0,0|0,2,0]=4 19827 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)Br)F 62a_100010212234_100009815848 [0,2,0,0,0,0|0,2,0]=4 19828 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)Cl)Cl 62a_100009815848_200011216440 [0,2,0,0,0,0|0,1,0]=3 19829 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100009815848 [0,2,0,0,0,0|0,1,0]=3 19830 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)F)Cl 62a_100009815848_100010175091 [0,2,0,0,0,0|0,2,0]=4 19831 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1Cl)F)Cl 62a_100010175091_100009815848 [0,2,0,0,0,0|0,2,0]=4 19832 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)Br)F 62a_100009813614_100009815848 [0,2,0,0,0,0|0,2,0]=4 19833 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)Br)F 62a_100009815848_100009813614 [0,2,0,0,0,0|0,2,0]=4 19834 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)F)F 62a_100000243675_100009815848 [0,2,0,0,0,0|0,2,0]=4 19835 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)F)F 62a_100009815848_100000243675 [0,2,0,0,0,0|0,2,0]=4 19836 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)F)O 62a_100009815848_100009815984 [0,2,0,0,0,0|0,2,0]=4 19837 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)F)O 62a_100009815984_100009815848 [0,2,0,0,0,0|0,2,0]=4 19838 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)O)F 62a_100009815848_100009816007 [0,2,0,0,0,0|1,1,0]=4 19839 B15R1.38791 OC[C@H](O)CSc1c(cc(cc1F)O)F 62a_100009816007_100009815848 [0,2,0,0,0,0|1,1,0]=4 19840 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1Br)Cl)Br 34a_100000724118_100015614560 [0,2,0,0,0,0|2,0,0]=4 19841 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1Br)Cl)Cl 34a_100011218119_100015614560 [0,2,0,0,0,0|2,0,0]=4 19842 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1Br)Cl)F 34a_100011217455_100015614560 [0,2,0,0,0,0|2,0,0]=4 19843 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1Cl)Cl)Cl 34a_100000210601_100015614560 [0,2,0,0,0,0|2,0,0]=4 19844 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1Cl)Cl)F 34a_100000688862_100015614560 [0,2,0,0,0,0|2,0,0]=4 19845 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1Cl)Cl)F 7a_100000688862_100015614560 [0,2,0,0,0,0|2,0,0]=4 19846 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1F)Cl)F 34a_100000695146_100015614560 [0,2,0,0,0,0|2,0,0]=4 19847 B15R1.38791 O[C@@H](CF)CNc1c(cc(cc1F)Cl)F 7a_100000695146_100015614560 [0,2,0,0,0,0|2,0,0]=4 19848 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Br)Br 34a_100000210219_100015614560 [0,2,0,0,0,0|1,1,0]=4 19849 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Br)Br 7a_100000210219_100015614560 [0,2,0,0,0,0|1,1,0]=4 19850 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Br)Cl 34a_100012337755_100015614560 [0,2,0,0,0,0|1,1,0]=4 19851 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Br)Cl 7a_100012337755_100015614560 [0,2,0,0,0,0|1,1,0]=4 19852 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Br)F 34a_100011216695_100015614560 [0,2,0,0,0,0|1,1,0]=4 19853 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Br)F 7a_100011216695_100015614560 [0,2,0,0,0,0|1,1,0]=4 19854 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Cl)Br 34a_100012337757_100015614560 [0,2,0,0,0,0|1,0,0]=3 19855 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Cl)Br 7a_100012337757_100015614560 [0,2,0,0,0,0|1,0,0]=3 19856 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Cl)Cl 34a_200000243811_100015614560 [0,2,0,0,0,0|1,0,0]=3 19857 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Cl)Cl 7a_200000243811_100015614560 [0,2,0,0,0,0|1,0,0]=3 19858 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Cl)F 34a_100011830412_100015614560 [0,2,0,0,0,0|1,0,0]=3 19859 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)Cl)F 7a_100011830412_100015614560 [0,2,0,0,0,0|1,0,0]=3 19860 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)F)Br 34a_100011215434_100015614560 [0,2,0,0,0,0|1,1,0]=4 19861 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)F)Br 7a_100011215434_100015614560 [0,2,0,0,0,0|1,1,0]=4 19862 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)F)Cl 34a_100011830411_100015614560 [0,2,0,0,0,0|1,1,0]=4 19863 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)F)Cl 7a_100011830411_100015614560 [0,2,0,0,0,0|1,1,0]=4 19864 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)F)F 34a_100000688693_100015614560 [0,2,0,0,0,0|1,1,0]=4 19865 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Br)F)F 7a_100000688693_100015614560 [0,2,0,0,0,0|1,1,0]=4 19866 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)Br)Cl 34a_100000753780_100015614560 [0,2,0,0,0,0|1,1,0]=4 19867 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)Br)Cl 7a_100000753780_100015614560 [0,2,0,0,0,0|1,1,0]=4 19868 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)Br)F 34a_100011216646_100015614560 [0,2,0,0,0,0|1,1,0]=4 19869 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)Br)F 7a_100011216646_100015614560 [0,2,0,0,0,0|1,1,0]=4 19870 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)Cl)Cl 34a_100000210218_100015614560 [0,2,0,0,0,0|1,0,0]=3 19871 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)Cl)Cl 7a_100000210218_100015614560 [0,2,0,0,0,0|1,0,0]=3 19872 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)F)Cl 34a_100011217724_100015614560 [0,2,0,0,0,0|1,1,0]=4 19873 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)F)Cl 7a_100011217724_100015614560 [0,2,0,0,0,0|1,1,0]=4 19874 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)F)F 34a_100011935252_100015614560 [0,2,0,0,0,0|1,1,0]=4 19875 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)F)F 7a_100011935252_100015614560 [0,2,0,0,0,0|1,1,0]=4 19876 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1Cl)I)Cl 7a_100012339652_100015614560 [0,2,0,0,0,0|1,1,0]=4 19877 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)Br)F 34a_100011216917_100015614560 [0,2,0,0,0,0|1,1,0]=4 19878 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)Br)F 7a_100011216917_100015614560 [0,2,0,0,0,0|1,1,0]=4 19879 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)Cl)F 34a_100011830429_100015614560 [0,2,0,0,0,0|1,0,0]=3 19880 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)Cl)F 7a_100011830429_100015614560 [0,2,0,0,0,0|1,0,0]=3 19881 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)F)F 34a_100011218396_100015614560 [0,2,0,0,0,0|1,1,0]=4 19882 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)F)F 7a_100011218396_100015614560 [0,2,0,0,0,0|1,1,0]=4 19883 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)I)F 34a_200011830255_100015614560 [0,2,0,0,0,0|1,1,0]=4 19884 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1F)I)F 7a_200011830255_100015614560 [0,2,0,0,0,0|1,1,0]=4 19885 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)Br)F 34a_100013354677_100015614560 [0,2,0,0,0,0|1,1,0]=4 19886 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)Br)F 7a_100013354677_100015614560 [0,2,0,0,0,0|1,1,0]=4 19887 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)Cl)Cl 34a_200012339341_100015614560 [0,2,0,0,0,0|1,0,0]=3 19888 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)Cl)Cl 7a_200012339341_100015614560 [0,2,0,0,0,0|1,0,0]=3 19889 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)Cl)I 7a_100000730656_100015614560 [0,2,0,0,0,0|1,0,0]=3 19890 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)F)Br 34a_200013085147_100015614560 [0,2,0,0,0,0|1,1,0]=4 19891 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)F)Br 7a_200013085147_100015614560 [0,2,0,0,0,0|1,1,0]=4 19892 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)F)F 34a_200013204775_100015614560 [0,2,0,0,0,0|1,1,0]=4 19893 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)F)F 7a_200013204775_100015614560 [0,2,0,0,0,0|1,1,0]=4 19894 B15R1.38791 O[C@@H](CF)COc1c(cc(cc1I)I)Cl 7a_100009997439_100015614560 [0,2,0,0,0,0|1,1,0]=4 19895 B15R1.38791 O[C@@H](CF)CSc1c(cc(cc1Br)Cl)Cl 62a_100015614560_200009992027 [0,2,0,0,0,0|1,1,0]=4 19896 B15R1.38791 O[C@@H](CF)CSc1c(cc(cc1Br)Cl)Cl 62a_200009992027_100015614560 [0,2,0,0,0,0|1,1,0]=4 19897 B15R1.38791 O[C@@H](CF)CSc1c(cc(cc1Br)Cl)F 62a_100009993495_100015614560 [0,2,0,0,0,0|1,1,0]=4 19898 B15R1.38791 O[C@@H](CF)CSc1c(cc(cc1Br)Cl)F 62a_100015614560_100009993495 [0,2,0,0,0,0|1,1,0]=4 19899 B15R1.38791 O[C@@H](CF)CSc1c(cc(cc1Cl)Cl)Cl 62a_100015614560_200011216440 [0,2,0,0,0,0|1,1,0]=4 19900 B15R1.38791 O[C@@H](CF)CSc1c(cc(cc1Cl)Cl)Cl 62a_200011216440_100015614560 [0,2,0,0,0,0|1,1,0]=4 19901 B15R1.38791 Oc1cc(cc(c1NC[C@@H](O)CF)F)Cl 34a_100010883250_100015614560 [0,2,0,0,0,0|2,0,0]=4 19902 B15R1.38791 Oc1cc(cc(c1NC[C@@H](O)CF)F)Cl 7a_100010883250_100015614560 [0,2,0,0,0,0|2,0,0]=4 19903 B15R1.2993 C=CC(O)COc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100000730141 [0,2,0,0,0,0|1,0,1]=4 19904 B15R1.2993 C=CC(O)COc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100000730141 [0,2,0,0,0,0|1,0,1]=4 19905 B15R1.2993 C=CC(O)COc1cc(c(c(c1)C)Cl)C 34a_100000739557_100000730141 [0,2,0,0,0,0|1,0,1]=4 19906 B15R1.2993 C=CC(O)COc1cc(c(c(c1)C)Cl)C 7a_100000739557_100000730141 [0,2,0,0,0,0|1,0,1]=4 19907 B15R1.2993 C=CC(O)COc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100000730141 [0,2,0,0,0,0|1,0,1]=4 19908 B15R1.2993 C=CC(O)COc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100000730141 [0,2,0,0,0,0|1,0,1]=4 19909 B15R1.2993 C=CC(O)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100000730141 [0,2,0,0,0,0|1,0,1]=4 19910 B15R1.2993 C=CC(O)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100000730141 [0,2,0,0,0,0|1,0,1]=4 19911 B15R1.2993 CCC(C)COc1cc(c(c(c1)C)Cl)C 34a_100000739557_100000748023 [0,2,0,0,0,0|2,0,0]=4 19912 B15R1.2993 CCC(C)COc1cc(c(c(c1)C)Cl)C 7a_100000739557_100000748023 [0,2,0,0,0,0|2,0,0]=4 19913 B15R1.2993 CCC(C)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100000748023 [0,2,0,0,0,0|2,0,0]=4 19914 B15R1.2993 CCC(C)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100000748023 [0,2,0,0,0,0|2,0,0]=4 19915 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100011218378 [0,2,0,0,0,0|2,0,0]=4 19916 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100011218378 [0,2,0,0,0,0|2,0,0]=4 19917 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100011218378 [0,2,0,0,0,0|2,0,0]=4 19918 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)C 2230a_100009830880_100011218378 [0,2,0,0,0,0|2,0,0]=4 19919 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)C 34a_100009830880_100011218378 [0,2,0,0,0,0|2,0,0]=4 19920 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)C 7a_100009830880_100011218378 [0,2,0,0,0,0|2,0,0]=4 19921 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100011218378 [0,2,0,0,0,0|2,0,0]=4 19922 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100011218378 [0,2,0,0,0,0|2,0,0]=4 19923 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100011218378 [0,2,0,0,0,0|2,0,0]=4 19924 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100011218378 [0,2,0,0,0,0|2,0,0]=4 19925 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100011218378 [0,2,0,0,0,0|2,0,0]=4 19926 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100011218378 [0,2,0,0,0,0|2,0,0]=4 19927 B15R1.2993 CCC(O)CNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100011218378 [0,2,0,0,0,0|2,0,0]=4 19928 B15R1.2993 CCC(O)CNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100011218378 [0,2,0,0,0,0|2,0,0]=4 19929 B15R1.2993 CCC(O)CNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100011218378 [0,2,0,0,0,0|2,0,0]=4 19930 B15R1.2993 CCC(O)CNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100011218378 [0,2,0,0,0,0|2,0,0]=4 19931 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)C)Br 34a_100009813510_100011218378 [0,2,0,0,0,0|2,0,0]=4 19932 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)C)Br 7a_100009813510_100011218378 [0,2,0,0,0,0|2,0,0]=4 19933 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)C)C 34a_100010068915_100011218378 [0,2,0,0,0,0|2,0,0]=4 19934 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)C)C 7a_100010068915_100011218378 [0,2,0,0,0,0|2,0,0]=4 19935 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100011218378 [0,2,0,0,0,0|1,0,0]=3 19936 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100011218378 [0,2,0,0,0,0|1,0,0]=3 19937 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100011218378 [0,2,0,0,0,0|1,1,0]=4 19938 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100011218378 [0,2,0,0,0,0|1,1,0]=4 19939 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)N)Br 34a_200010887395_100011218378 [0,2,0,0,0,0|2,0,0]=4 19940 B15R1.2993 CCC(O)COc1cc(c(c(c1)Br)N)Br 7a_200010887395_100011218378 [0,2,0,0,0,0|2,0,0]=4 19941 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)Br)C 34a_100000243743_100011218378 [0,2,0,0,0,0|1,1,0]=4 19942 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)Br)C 7a_100000243743_100011218378 [0,2,0,0,0,0|1,1,0]=4 19943 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)C)C 34a_200000042890_100011218378 [0,2,0,0,0,0|2,0,0]=4 19944 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)C)C 7a_200000042890_100011218378 [0,2,0,0,0,0|2,0,0]=4 19945 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)Cl)C 34a_100000739557_100011218378 [0,2,0,0,0,0|1,0,0]=3 19946 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)Cl)C 7a_100000739557_100011218378 [0,2,0,0,0,0|1,0,0]=3 19947 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)I)C 34a_100011216239_100011218378 [0,2,0,0,0,0|1,1,0]=4 19948 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)I)C 7a_100011216239_100011218378 [0,2,0,0,0,0|1,1,0]=4 19949 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)N)C 34a_100011934200_100011218378 [0,2,0,0,0,0|2,0,0]=4 19950 B15R1.2993 CCC(O)COc1cc(c(c(c1)C)N)C 7a_100011934200_100011218378 [0,2,0,0,0,0|2,0,0]=4 19951 B15R1.2993 CCC(O)COc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100011218378 [0,2,0,0,0,0|1,1,0]=4 19952 B15R1.2993 CCC(O)COc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100011218378 [0,2,0,0,0,0|1,1,0]=4 19953 B15R1.2993 CCC(O)COc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100011218378 [0,2,0,0,0,0|1,0,0]=3 19954 B15R1.2993 CCC(O)COc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100011218378 [0,2,0,0,0,0|1,0,0]=3 19955 B15R1.2993 CCC(O)COc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100011218378 [0,2,0,0,0,0|1,1,0]=4 19956 B15R1.2993 CCC(O)COc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100011218378 [0,2,0,0,0,0|1,1,0]=4 19957 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)Br)F 34a_100009816007_100011218378 [0,2,0,0,0,0|1,1,0]=4 19958 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)Br)F 7a_100009816007_100011218378 [0,2,0,0,0,0|1,1,0]=4 19959 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100011218378 [0,2,0,0,0,0|1,0,0]=3 19960 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100011218378 [0,2,0,0,0,0|1,0,0]=3 19961 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)F)F 34a_100000237451_100011218378 [0,2,0,0,0,0|1,1,0]=4 19962 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)F)F 7a_100000237451_100011218378 [0,2,0,0,0,0|1,1,0]=4 19963 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)I)F 34a_100010219129_100011218378 [0,2,0,0,0,0|1,1,0]=4 19964 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)I)F 7a_100010219129_100011218378 [0,2,0,0,0,0|1,1,0]=4 19965 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)N)F 34a_100000036573_100011218378 [0,2,0,0,0,0|2,0,0]=4 19966 B15R1.2993 CCC(O)COc1cc(c(c(c1)F)N)F 7a_100000036573_100011218378 [0,2,0,0,0,0|2,0,0]=4 19967 B15R1.2993 CCC(O)CSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100011218378 [0,2,0,0,0,0|1,1,0]=4 19968 B15R1.2993 CCC(O)CSc1cc(c(c(c1)F)Cl)F 62a_100011218378_100010154629 [0,2,0,0,0,0|1,1,0]=4 19969 B15R1.2993 CC[C@H](C)COc1cc(c(c(c1)C)Cl)C 34a_100000739557_100009816398 [0,2,0,0,0,0|2,0,0]=4 19970 B15R1.2993 CC[C@H](C)COc1cc(c(c(c1)C)Cl)C 7a_100000739557_100009816398 [0,2,0,0,0,0|2,0,0]=4 19971 B15R1.2993 CC[C@H](C)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100009816398 [0,2,0,0,0,0|2,0,0]=4 19972 B15R1.2993 CC[C@H](C)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100009816398 [0,2,0,0,0,0|2,0,0]=4 19973 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100000059175 [0,2,0,0,0,0|2,0,0]=4 19974 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100000059175 [0,2,0,0,0,0|2,0,0]=4 19975 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100000059175 [0,2,0,0,0,0|2,0,0]=4 19976 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100000059175 [0,2,0,0,0,0|2,0,0]=4 19977 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100000059175 [0,2,0,0,0,0|2,0,0]=4 19978 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100000059175 [0,2,0,0,0,0|2,0,0]=4 19979 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100000059175 [0,2,0,0,0,0|2,0,0]=4 19980 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100000059175 [0,2,0,0,0,0|2,0,0]=4 19981 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100000059175 [0,2,0,0,0,0|2,0,0]=4 19982 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100000059175 [0,2,0,0,0,0|2,0,0]=4 19983 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100000059175 [0,2,0,0,0,0|2,0,0]=4 19984 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100000059175 [0,2,0,0,0,0|2,0,0]=4 19985 B15R1.2993 C[C@@H](CO)CNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100000059175 [0,2,0,0,0,0|2,0,0]=4 19986 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100000059175 [0,2,0,0,0,0|1,0,0]=3 19987 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100000059175 [0,2,0,0,0,0|1,0,0]=3 19988 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100000059175 [0,2,0,0,0,0|1,1,0]=4 19989 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100000059175 [0,2,0,0,0,0|1,1,0]=4 19990 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Br)N)Br 34a_200010887395_100000059175 [0,2,0,0,0,0|2,0,0]=4 19991 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000059175 [0,2,0,0,0,0|2,0,0]=4 19992 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100000059175 [0,2,0,0,0,0|1,1,0]=4 19993 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100000059175 [0,2,0,0,0,0|1,1,0]=4 19994 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100000059175 [0,2,0,0,0,0|1,0,0]=3 19995 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100000059175 [0,2,0,0,0,0|1,0,0]=3 19996 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100000059175 [0,2,0,0,0,0|1,1,0]=4 19997 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100000059175 [0,2,0,0,0,0|1,1,0]=4 19998 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)Br)F 34a_100009816007_100000059175 [0,2,0,0,0,0|1,1,0]=4 19999 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)Br)F 7a_100009816007_100000059175 [0,2,0,0,0,0|1,1,0]=4 20000 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100000059175 [0,2,0,0,0,0|1,0,0]=3 20001 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100000059175 [0,2,0,0,0,0|1,0,0]=3 20002 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)F)F 34a_100000237451_100000059175 [0,2,0,0,0,0|1,1,0]=4 20003 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)F)F 7a_100000237451_100000059175 [0,2,0,0,0,0|1,1,0]=4 20004 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)I)F 34a_100010219129_100000059175 [0,2,0,0,0,0|1,1,0]=4 20005 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)I)F 7a_100010219129_100000059175 [0,2,0,0,0,0|1,1,0]=4 20006 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)N)F 34a_100000036573_100000059175 [0,2,0,0,0,0|2,0,0]=4 20007 B15R1.2993 C[C@@H](CO)COc1cc(c(c(c1)F)N)F 7a_100000036573_100000059175 [0,2,0,0,0,0|2,0,0]=4 20008 B15R1.2993 C[C@@H](CO)CSc1cc(c(c(c1)F)Cl)F 62a_100000059175_100010154629 [0,2,0,0,0,0|1,1,0]=4 20009 B15R1.2993 C[C@@H](CO)CSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100000059175 [0,2,0,0,0,0|1,1,0]=4 20010 B15R1.2993 Cc1c(cc(cc1Br)NCC(O)CO)Br 2230a_100009813276_100011219619 [0,2,0,0,0,0|2,0,0]=4 20011 B15R1.2993 Cc1c(cc(cc1Br)NCC(O)CO)Br 34a_100009813276_100011219619 [0,2,0,0,0,0|2,0,0]=4 20012 B15R1.2993 Cc1c(cc(cc1Br)NCC(O)CO)Br 7a_100009813276_100011219619 [0,2,0,0,0,0|2,0,0]=4 20013 B15R1.2993 Cc1c(cc(cc1Br)NCC(O)CO)F 2230a_100010254531_100011219619 [0,2,0,0,0,0|2,0,0]=4 20014 B15R1.2993 Cc1c(cc(cc1Br)NCC(O)CO)F 34a_100010254531_100011219619 [0,2,0,0,0,0|2,0,0]=4 20015 B15R1.2993 Cc1c(cc(cc1Br)NCC(O)CO)F 7a_100010254531_100011219619 [0,2,0,0,0,0|2,0,0]=4 20016 B15R1.2993 Cc1c(cc(cc1Br)NC[C@@H](O)CO)Br 2230a_100009813276_100009815848 [0,2,0,0,0,0|2,0,0]=4 20017 B15R1.2993 Cc1c(cc(cc1Br)NC[C@@H](O)CO)Br 34a_100009813276_100009815848 [0,2,0,0,0,0|2,0,0]=4 20018 B15R1.2993 Cc1c(cc(cc1Br)NC[C@@H](O)CO)Br 7a_100009813276_100009815848 [0,2,0,0,0,0|2,0,0]=4 20019 B15R1.2993 Cc1c(cc(cc1Br)NC[C@@H](O)CO)F 2230a_100010254531_100009815848 [0,2,0,0,0,0|2,0,0]=4 20020 B15R1.2993 Cc1c(cc(cc1Br)NC[C@@H](O)CO)F 34a_100010254531_100009815848 [0,2,0,0,0,0|2,0,0]=4 20021 B15R1.2993 Cc1c(cc(cc1Br)NC[C@@H](O)CO)F 7a_100010254531_100009815848 [0,2,0,0,0,0|2,0,0]=4 20022 B15R1.2993 Cc1c(cc(cc1Br)OCC(O)CO)Br 34a_100009813510_100011219619 [0,2,0,0,0,0|1,0,0]=3 20023 B15R1.2993 Cc1c(cc(cc1Br)OCC(O)CO)Br 7a_100009813510_100011219619 [0,2,0,0,0,0|1,0,0]=3 20024 B15R1.2993 Cc1c(cc(cc1Br)OC[C@@H](C)CO)Br 34a_100009813510_100000059175 [0,2,0,0,0,0|2,0,0]=4 20025 B15R1.2993 Cc1c(cc(cc1Br)OC[C@@H](C)CO)Br 7a_100009813510_100000059175 [0,2,0,0,0,0|2,0,0]=4 20026 B15R1.2993 Cc1c(cc(cc1Br)OC[C@@H](O)CF)Br 34a_100009813510_100015614560 [0,2,0,0,0,0|2,0,0]=4 20027 B15R1.2993 Cc1c(cc(cc1Br)OC[C@@H](O)CF)Br 7a_100009813510_100015614560 [0,2,0,0,0,0|2,0,0]=4 20028 B15R1.2993 Cc1c(cc(cc1Br)OC[C@@H](O)CO)Br 34a_100009813510_100009815848 [0,2,0,0,0,0|1,0,0]=3 20029 B15R1.2993 Cc1c(cc(cc1Br)OC[C@@H](O)CO)Br 7a_100009813510_100009815848 [0,2,0,0,0,0|1,0,0]=3 20030 B15R1.2993 Cc1c(cc(cc1Br)SCC(O)CO)Br 62a_100011099977_100011219619 [0,2,0,0,0,0|1,1,0]=4 20031 B15R1.2993 Cc1c(cc(cc1Br)SCC(O)CO)Br 62a_100011219619_100011099977 [0,2,0,0,0,0|1,1,0]=4 20032 B15R1.2993 Cc1c(cc(cc1Br)SC[C@@H](O)CO)Br 62a_100009815848_100011099977 [0,2,0,0,0,0|1,1,0]=4 20033 B15R1.2993 Cc1c(cc(cc1Br)SC[C@@H](O)CO)Br 62a_100011099977_100009815848 [0,2,0,0,0,0|1,1,0]=4 20034 B15R1.2993 Cc1c(cc(cc1Cl)NCC(O)CO)Cl 2230a_100000745310_100011219619 [0,2,0,0,0,0|2,0,0]=4 20035 B15R1.2993 Cc1c(cc(cc1Cl)NCC(O)CO)Cl 34a_100000745310_100011219619 [0,2,0,0,0,0|2,0,0]=4 20036 B15R1.2993 Cc1c(cc(cc1Cl)NCC(O)CO)Cl 7a_100000745310_100011219619 [0,2,0,0,0,0|2,0,0]=4 20037 B15R1.2993 Cc1c(cc(cc1Cl)NC[C@@H](O)CO)Cl 2230a_100000745310_100009815848 [0,2,0,0,0,0|2,0,0]=4 20038 B15R1.2993 Cc1c(cc(cc1Cl)NC[C@@H](O)CO)Cl 34a_100000745310_100009815848 [0,2,0,0,0,0|2,0,0]=4 20039 B15R1.2993 Cc1c(cc(cc1Cl)NC[C@@H](O)CO)Cl 7a_100000745310_100009815848 [0,2,0,0,0,0|2,0,0]=4 20040 B15R1.2993 Cc1c(cc(cc1F)NCC(O)CO)F 2230a_100011216606_100011219619 [0,2,0,0,0,0|2,0,0]=4 20041 B15R1.2993 Cc1c(cc(cc1F)NCC(O)CO)F 34a_100011216606_100011219619 [0,2,0,0,0,0|2,0,0]=4 20042 B15R1.2993 Cc1c(cc(cc1F)NCC(O)CO)F 7a_100011216606_100011219619 [0,2,0,0,0,0|2,0,0]=4 20043 B15R1.2993 Cc1c(cc(cc1F)NC[C@@H](O)CO)F 2230a_100011216606_100009815848 [0,2,0,0,0,0|2,0,0]=4 20044 B15R1.2993 Cc1c(cc(cc1F)NC[C@@H](O)CO)F 34a_100011216606_100009815848 [0,2,0,0,0,0|2,0,0]=4 20045 B15R1.2993 Cc1c(cc(cc1F)NC[C@@H](O)CO)F 7a_100011216606_100009815848 [0,2,0,0,0,0|2,0,0]=4 20046 B15R1.2993 Cc1c(cc(cc1F)SCC(O)CO)F 62a_100009814309_100011219619 [0,2,0,0,0,0|1,1,0]=4 20047 B15R1.2993 Cc1c(cc(cc1F)SCC(O)CO)F 62a_100011219619_100009814309 [0,2,0,0,0,0|1,1,0]=4 20048 B15R1.2993 Cc1c(cc(cc1F)SCC(O)CO)N 62a_100009813729_100011219619 [0,2,0,0,0,0|1,1,0]=4 20049 B15R1.2993 Cc1c(cc(cc1F)SCC(O)CO)N 62a_100011219619_100009813729 [0,2,0,0,0,0|1,1,0]=4 20050 B15R1.2993 Cc1c(cc(cc1F)SC[C@@H](O)CO)F 62a_100009814309_100009815848 [0,2,0,0,0,0|1,1,0]=4 20051 B15R1.2993 Cc1c(cc(cc1F)SC[C@@H](O)CO)F 62a_100009815848_100009814309 [0,2,0,0,0,0|1,1,0]=4 20052 B15R1.2993 Cc1c(cc(cc1F)SC[C@@H](O)CO)N 62a_100009813729_100009815848 [0,2,0,0,0,0|1,1,0]=4 20053 B15R1.2993 Cc1c(cc(cc1F)SC[C@@H](O)CO)N 62a_100009815848_100009813729 [0,2,0,0,0,0|1,1,0]=4 20054 B15R1.2993 Cc1cc(cc(=O)n1C)OCC(O)CO 34a_100000075388_100011219619 [0,2,0,0,0,0|2,0,0]=4 20055 B15R1.2993 Cc1cc(cc(=O)n1C)OC[C@@H](O)CO 34a_100000075388_100009815848 [0,2,0,0,0,0|2,0,0]=4 20056 B15R1.2993 Cc1cc(cc(c1Br)C)NCC(O)CO 2230a_100000684802_100011219619 [0,2,0,0,0,0|1,1,0]=4 20057 B15R1.2993 Cc1cc(cc(c1Br)C)NCC(O)CO 34a_100000684802_100011219619 [0,2,0,0,0,0|1,1,0]=4 20058 B15R1.2993 Cc1cc(cc(c1Br)C)NCC(O)CO 7a_100000684802_100011219619 [0,2,0,0,0,0|1,1,0]=4 20059 B15R1.2993 Cc1cc(cc(c1Br)C)NC[C@@H](O)CO 2230a_100000684802_100009815848 [0,2,0,0,0,0|1,1,0]=4 20060 B15R1.2993 Cc1cc(cc(c1Br)C)NC[C@@H](O)CO 34a_100000684802_100009815848 [0,2,0,0,0,0|1,1,0]=4 20061 B15R1.2993 Cc1cc(cc(c1Br)C)NC[C@@H](O)CO 7a_100000684802_100009815848 [0,2,0,0,0,0|1,1,0]=4 20062 B15R1.2993 Cc1cc(cc(c1Br)C)OCC(O)CO 34a_100000243743_100011219619 [0,2,0,0,0,0|0,1,0]=3 20063 B15R1.2993 Cc1cc(cc(c1Br)C)OCC(O)CO 7a_100000243743_100011219619 [0,2,0,0,0,0|0,1,0]=3 20064 B15R1.2993 Cc1cc(cc(c1Br)C)OC[C@@H](C)CO 34a_100000243743_100000059175 [0,2,0,0,0,0|1,1,0]=4 20065 B15R1.2993 Cc1cc(cc(c1Br)C)OC[C@@H](C)CO 7a_100000243743_100000059175 [0,2,0,0,0,0|1,1,0]=4 20066 B15R1.2993 Cc1cc(cc(c1Br)C)OC[C@@H](O)CF 34a_100000243743_100015614560 [0,2,0,0,0,0|1,1,0]=4 20067 B15R1.2993 Cc1cc(cc(c1Br)C)OC[C@@H](O)CF 7a_100000243743_100015614560 [0,2,0,0,0,0|1,1,0]=4 20068 B15R1.2993 Cc1cc(cc(c1Br)C)OC[C@@H](O)CO 34a_100000243743_100009815848 [0,2,0,0,0,0|0,1,0]=3 20069 B15R1.2993 Cc1cc(cc(c1Br)C)OC[C@@H](O)CO 7a_100000243743_100009815848 [0,2,0,0,0,0|0,1,0]=3 20070 B15R1.2993 Cc1cc(cc(c1Br)C)SCC(O)CO 62a_100011219619_100012353698 [0,2,0,0,0,0|0,2,0]=4 20071 B15R1.2993 Cc1cc(cc(c1Br)C)SCC(O)CO 62a_100012353698_100011219619 [0,2,0,0,0,0|0,2,0]=4 20072 B15R1.2993 Cc1cc(cc(c1Br)C)SC[C@@H](O)CO 62a_100009815848_100012353698 [0,2,0,0,0,0|0,2,0]=4 20073 B15R1.2993 Cc1cc(cc(c1Br)C)SC[C@@H](O)CO 62a_100012353698_100009815848 [0,2,0,0,0,0|0,2,0]=4 20074 B15R1.2993 Cc1cc(cc(c1Br)F)NCC(O)CO 2230a_100010115923_100011219619 [0,2,0,0,0,0|1,1,0]=4 20075 B15R1.2993 Cc1cc(cc(c1Br)F)NCC(O)CO 34a_100010115923_100011219619 [0,2,0,0,0,0|1,1,0]=4 20076 B15R1.2993 Cc1cc(cc(c1Br)F)NCC(O)CO 7a_100010115923_100011219619 [0,2,0,0,0,0|1,1,0]=4 20077 B15R1.2993 Cc1cc(cc(c1Br)F)NC[C@@H](O)CO 2230a_100010115923_100009815848 [0,2,0,0,0,0|1,1,0]=4 20078 B15R1.2993 Cc1cc(cc(c1Br)F)NC[C@@H](O)CO 34a_100010115923_100009815848 [0,2,0,0,0,0|1,1,0]=4 20079 B15R1.2993 Cc1cc(cc(c1Br)F)NC[C@@H](O)CO 7a_100010115923_100009815848 [0,2,0,0,0,0|1,1,0]=4 20080 B15R1.2993 Cc1cc(cc(c1C)Br)NCC(O)CO 2230a_100010368239_100011219619 [0,2,0,0,0,0|2,0,0]=4 20081 B15R1.2993 Cc1cc(cc(c1C)Br)NCC(O)CO 34a_100010368239_100011219619 [0,2,0,0,0,0|2,0,0]=4 20082 B15R1.2993 Cc1cc(cc(c1C)Br)NCC(O)CO 7a_100010368239_100011219619 [0,2,0,0,0,0|2,0,0]=4 20083 B15R1.2993 Cc1cc(cc(c1C)Br)NC[C@@H](O)CO 2230a_100010368239_100009815848 [0,2,0,0,0,0|2,0,0]=4 20084 B15R1.2993 Cc1cc(cc(c1C)Br)NC[C@@H](O)CO 34a_100010368239_100009815848 [0,2,0,0,0,0|2,0,0]=4 20085 B15R1.2993 Cc1cc(cc(c1C)Br)NC[C@@H](O)CO 7a_100010368239_100009815848 [0,2,0,0,0,0|2,0,0]=4 20086 B15R1.2993 Cc1cc(cc(c1C)Br)OCC(O)CO 34a_100010068915_100011219619 [0,2,0,0,0,0|1,0,0]=3 20087 B15R1.2993 Cc1cc(cc(c1C)Br)OCC(O)CO 7a_100010068915_100011219619 [0,2,0,0,0,0|1,0,0]=3 20088 B15R1.2993 Cc1cc(cc(c1C)Br)OC[C@@H](C)CO 34a_100010068915_100000059175 [0,2,0,0,0,0|2,0,0]=4 20089 B15R1.2993 Cc1cc(cc(c1C)Br)OC[C@@H](C)CO 7a_100010068915_100000059175 [0,2,0,0,0,0|2,0,0]=4 20090 B15R1.2993 Cc1cc(cc(c1C)Br)OC[C@@H](O)CF 34a_100010068915_100015614560 [0,2,0,0,0,0|2,0,0]=4 20091 B15R1.2993 Cc1cc(cc(c1C)Br)OC[C@@H](O)CF 7a_100010068915_100015614560 [0,2,0,0,0,0|2,0,0]=4 20092 B15R1.2993 Cc1cc(cc(c1C)Br)OC[C@@H](O)CO 34a_100010068915_100009815848 [0,2,0,0,0,0|1,0,0]=3 20093 B15R1.2993 Cc1cc(cc(c1C)Br)OC[C@@H](O)CO 7a_100010068915_100009815848 [0,2,0,0,0,0|1,0,0]=3 20094 B15R1.2993 Cc1cc(cc(c1C)C)NCC(O)CO 2230a_100000074974_100011219619 [0,2,0,0,0,0|2,0,0]=4 20095 B15R1.2993 Cc1cc(cc(c1C)C)NCC(O)CO 34a_100000074974_100011219619 [0,2,0,0,0,0|2,0,0]=4 20096 B15R1.2993 Cc1cc(cc(c1C)C)NCC(O)CO 7a_100000074974_100011219619 [0,2,0,0,0,0|2,0,0]=4 20097 B15R1.2993 Cc1cc(cc(c1C)C)NC[C@@H](O)CO 2230a_100000074974_100009815848 [0,2,0,0,0,0|2,0,0]=4 20098 B15R1.2993 Cc1cc(cc(c1C)C)NC[C@@H](O)CO 34a_100000074974_100009815848 [0,2,0,0,0,0|2,0,0]=4 20099 B15R1.2993 Cc1cc(cc(c1C)C)NC[C@@H](O)CO 7a_100000074974_100009815848 [0,2,0,0,0,0|2,0,0]=4 20100 B15R1.2993 Cc1cc(cc(c1C)C)OCC(O)CO 34a_200000042890_100011219619 [0,2,0,0,0,0|1,0,0]=3 20101 B15R1.2993 Cc1cc(cc(c1C)C)OCC(O)CO 7a_200000042890_100011219619 [0,2,0,0,0,0|1,0,0]=3 20102 B15R1.2993 Cc1cc(cc(c1C)C)OC[C@@H](C)CO 34a_200000042890_100000059175 [0,2,0,0,0,0|2,0,0]=4 20103 B15R1.2993 Cc1cc(cc(c1C)C)OC[C@@H](C)CO 7a_200000042890_100000059175 [0,2,0,0,0,0|2,0,0]=4 20104 B15R1.2993 Cc1cc(cc(c1C)C)OC[C@@H](O)CF 34a_200000042890_100015614560 [0,2,0,0,0,0|2,0,0]=4 20105 B15R1.2993 Cc1cc(cc(c1C)C)OC[C@@H](O)CF 7a_200000042890_100015614560 [0,2,0,0,0,0|2,0,0]=4 20106 B15R1.2993 Cc1cc(cc(c1C)C)OC[C@@H](O)CO 34a_200000042890_100009815848 [0,2,0,0,0,0|1,0,0]=3 20107 B15R1.2993 Cc1cc(cc(c1C)C)OC[C@@H](O)CO 7a_200000042890_100009815848 [0,2,0,0,0,0|1,0,0]=3 20108 B15R1.2993 Cc1cc(cc(c1C)C)SCC(O)CO 62a_100011219619_200011015895 [0,2,0,0,0,0|1,1,0]=4 20109 B15R1.2993 Cc1cc(cc(c1C)C)SCC(O)CO 62a_200011015895_100011219619 [0,2,0,0,0,0|1,1,0]=4 20110 B15R1.2993 Cc1cc(cc(c1C)C)SC[C@@H](O)CO 62a_100009815848_200011015895 [0,2,0,0,0,0|1,1,0]=4 20111 B15R1.2993 Cc1cc(cc(c1C)C)SC[C@@H](O)CO 62a_200011015895_100009815848 [0,2,0,0,0,0|1,1,0]=4 20112 B15R1.2993 Cc1cc(cc(c1Cl)C)OCC(O)CO 34a_100000739557_100011219619 [0,2,0,0,0,0|0,0,0]=2 20113 B15R1.2993 Cc1cc(cc(c1Cl)C)OCC(O)CO 7a_100000739557_100011219619 [0,2,0,0,0,0|0,0,0]=2 20114 B15R1.2993 Cc1cc(cc(c1Cl)C)OC[C@@H](C)CO 34a_100000739557_100000059175 [0,2,0,0,0,0|1,0,0]=3 20115 B15R1.2993 Cc1cc(cc(c1Cl)C)OC[C@@H](C)CO 7a_100000739557_100000059175 [0,2,0,0,0,0|1,0,0]=3 20116 B15R1.2993 Cc1cc(cc(c1Cl)C)OC[C@@H](O)CF 34a_100000739557_100015614560 [0,2,0,0,0,0|1,0,0]=3 20117 B15R1.2993 Cc1cc(cc(c1Cl)C)OC[C@@H](O)CF 7a_100000739557_100015614560 [0,2,0,0,0,0|1,0,0]=3 20118 B15R1.2993 Cc1cc(cc(c1Cl)C)OC[C@@H](O)CO 34a_100000739557_100009815848 [0,2,0,0,0,0|0,0,0]=2 20119 B15R1.2993 Cc1cc(cc(c1Cl)C)OC[C@@H](O)CO 7a_100000739557_100009815848 [0,2,0,0,0,0|0,0,0]=2 20120 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NCC(O)CO 2230a_100009830880_100011219619 [0,2,0,0,0,0|1,0,0]=3 20121 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NCC(O)CO 34a_100009830880_100011219619 [0,2,0,0,0,0|1,0,0]=3 20122 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NCC(O)CO 7a_100009830880_100011219619 [0,2,0,0,0,0|1,0,0]=3 20123 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](C)CO 2230a_100009830880_100000059175 [0,2,0,0,0,0|2,0,0]=4 20124 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](C)CO 34a_100009830880_100000059175 [0,2,0,0,0,0|2,0,0]=4 20125 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](C)CO 7a_100009830880_100000059175 [0,2,0,0,0,0|2,0,0]=4 20126 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](O)CF 2230a_100009830880_100015614560 [0,2,0,0,0,0|2,0,0]=4 20127 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](O)CF 34a_100009830880_100015614560 [0,2,0,0,0,0|2,0,0]=4 20128 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](O)CF 7a_100009830880_100015614560 [0,2,0,0,0,0|2,0,0]=4 20129 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](O)CO 2230a_100009830880_100009815848 [0,2,0,0,0,0|1,0,0]=3 20130 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](O)CO 34a_100009830880_100009815848 [0,2,0,0,0,0|1,0,0]=3 20131 B15R1.2993 Cc1cc(cc(c1Cl)Cl)NC[C@@H](O)CO 7a_100009830880_100009815848 [0,2,0,0,0,0|1,0,0]=3 20132 B15R1.2993 Cc1cc(cc(c1F)C)NCC(O)CO 2230a_100000061604_100011219619 [0,2,0,0,0,0|1,1,0]=4 20133 B15R1.2993 Cc1cc(cc(c1F)C)NCC(O)CO 34a_100000061604_100011219619 [0,2,0,0,0,0|1,1,0]=4 20134 B15R1.2993 Cc1cc(cc(c1F)C)NCC(O)CO 7a_100000061604_100011219619 [0,2,0,0,0,0|1,1,0]=4 20135 B15R1.2993 Cc1cc(cc(c1F)C)NC[C@@H](O)CO 2230a_100000061604_100009815848 [0,2,0,0,0,0|1,1,0]=4 20136 B15R1.2993 Cc1cc(cc(c1F)C)NC[C@@H](O)CO 34a_100000061604_100009815848 [0,2,0,0,0,0|1,1,0]=4 20137 B15R1.2993 Cc1cc(cc(c1F)C)NC[C@@H](O)CO 7a_100000061604_100009815848 [0,2,0,0,0,0|1,1,0]=4 20138 B15R1.2993 Cc1cc(cc(c1F)C)SCC(O)CO 62a_100009814169_100011219619 [0,2,0,0,0,0|0,2,0]=4 20139 B15R1.2993 Cc1cc(cc(c1F)C)SCC(O)CO 62a_100011219619_100009814169 [0,2,0,0,0,0|0,2,0]=4 20140 B15R1.2993 Cc1cc(cc(c1F)C)SC[C@@H](O)CO 62a_100009814169_100009815848 [0,2,0,0,0,0|0,2,0]=4 20141 B15R1.2993 Cc1cc(cc(c1F)C)SC[C@@H](O)CO 62a_100009815848_100009814169 [0,2,0,0,0,0|0,2,0]=4 20142 B15R1.2993 Cc1cc(cc(c1F)F)NCC(O)CO 2230a_100010704045_100011219619 [0,2,0,0,0,0|1,1,0]=4 20143 B15R1.2993 Cc1cc(cc(c1F)F)NCC(O)CO 34a_100010704045_100011219619 [0,2,0,0,0,0|1,1,0]=4 20144 B15R1.2993 Cc1cc(cc(c1F)F)NCC(O)CO 7a_100010704045_100011219619 [0,2,0,0,0,0|1,1,0]=4 20145 B15R1.2993 Cc1cc(cc(c1F)F)NC[C@@H](O)CO 2230a_100010704045_100009815848 [0,2,0,0,0,0|1,1,0]=4 20146 B15R1.2993 Cc1cc(cc(c1F)F)NC[C@@H](O)CO 34a_100010704045_100009815848 [0,2,0,0,0,0|1,1,0]=4 20147 B15R1.2993 Cc1cc(cc(c1F)F)NC[C@@H](O)CO 7a_100010704045_100009815848 [0,2,0,0,0,0|1,1,0]=4 20148 B15R1.2993 Cc1cc(cc(c1F)F)SCC(O)CO 62a_100011219619_200011068660 [0,2,0,0,0,0|0,2,0]=4 20149 B15R1.2993 Cc1cc(cc(c1F)F)SCC(O)CO 62a_200011068660_100011219619 [0,2,0,0,0,0|0,2,0]=4 20150 B15R1.2993 Cc1cc(cc(c1F)F)SC[C@@H](O)CO 62a_100009815848_200011068660 [0,2,0,0,0,0|0,2,0]=4 20151 B15R1.2993 Cc1cc(cc(c1F)F)SC[C@@H](O)CO 62a_200011068660_100009815848 [0,2,0,0,0,0|0,2,0]=4 20152 B15R1.2993 Cc1cc(cc(c1F)N)SCC(O)CO 62a_100010381932_100011219619 [0,2,0,0,0,0|0,2,0]=4 20153 B15R1.2993 Cc1cc(cc(c1F)N)SCC(O)CO 62a_100011219619_100010381932 [0,2,0,0,0,0|0,2,0]=4 20154 B15R1.2993 Cc1cc(cc(c1F)N)SC[C@@H](O)CO 62a_100009815848_100010381932 [0,2,0,0,0,0|0,2,0]=4 20155 B15R1.2993 Cc1cc(cc(c1F)N)SC[C@@H](O)CO 62a_100010381932_100009815848 [0,2,0,0,0,0|0,2,0]=4 20156 B15R1.2993 Cc1cc(cc(c1I)C)NCC(O)CO 34a_100000215964_100011219619 [0,2,0,0,0,0|1,1,0]=4 20157 B15R1.2993 Cc1cc(cc(c1I)C)NCC(O)CO 7a_100000215964_100011219619 [0,2,0,0,0,0|1,1,0]=4 20158 B15R1.2993 Cc1cc(cc(c1I)C)NC[C@@H](O)CO 34a_100000215964_100009815848 [0,2,0,0,0,0|1,1,0]=4 20159 B15R1.2993 Cc1cc(cc(c1I)C)NC[C@@H](O)CO 7a_100000215964_100009815848 [0,2,0,0,0,0|1,1,0]=4 20160 B15R1.2993 Cc1cc(cc(c1I)C)OCC(O)CO 34a_100011216239_100011219619 [0,2,0,0,0,0|0,1,0]=3 20161 B15R1.2993 Cc1cc(cc(c1I)C)OCC(O)CO 7a_100011216239_100011219619 [0,2,0,0,0,0|0,1,0]=3 20162 B15R1.2993 Cc1cc(cc(c1I)C)OC[C@@H](C)CO 34a_100011216239_100000059175 [0,2,0,0,0,0|1,1,0]=4 20163 B15R1.2993 Cc1cc(cc(c1I)C)OC[C@@H](C)CO 7a_100011216239_100000059175 [0,2,0,0,0,0|1,1,0]=4 20164 B15R1.2993 Cc1cc(cc(c1I)C)OC[C@@H](O)CF 34a_100011216239_100015614560 [0,2,0,0,0,0|1,1,0]=4 20165 B15R1.2993 Cc1cc(cc(c1I)C)OC[C@@H](O)CF 7a_100011216239_100015614560 [0,2,0,0,0,0|1,1,0]=4 20166 B15R1.2993 Cc1cc(cc(c1I)C)OC[C@@H](O)CO 34a_100011216239_100009815848 [0,2,0,0,0,0|0,1,0]=3 20167 B15R1.2993 Cc1cc(cc(c1I)C)OC[C@@H](O)CO 7a_100011216239_100009815848 [0,2,0,0,0,0|0,1,0]=3 20168 B15R1.2993 Cc1cc(cc(c1N)C)OCC(O)CO 34a_100011934200_100011219619 [0,2,0,0,0,0|1,0,0]=3 20169 B15R1.2993 Cc1cc(cc(c1N)C)OCC(O)CO 7a_100011934200_100011219619 [0,2,0,0,0,0|1,0,0]=3 20170 B15R1.2993 Cc1cc(cc(c1N)C)OC[C@@H](C)CO 34a_100011934200_100000059175 [0,2,0,0,0,0|2,0,0]=4 20171 B15R1.2993 Cc1cc(cc(c1N)C)OC[C@@H](C)CO 7a_100011934200_100000059175 [0,2,0,0,0,0|2,0,0]=4 20172 B15R1.2993 Cc1cc(cc(c1N)C)OC[C@@H](O)CF 34a_100011934200_100015614560 [0,2,0,0,0,0|2,0,0]=4 20173 B15R1.2993 Cc1cc(cc(c1N)C)OC[C@@H](O)CF 7a_100011934200_100015614560 [0,2,0,0,0,0|2,0,0]=4 20174 B15R1.2993 Cc1cc(cc(c1N)C)OC[C@@H](O)CO 34a_100011934200_100009815848 [0,2,0,0,0,0|1,0,0]=3 20175 B15R1.2993 Cc1cc(cc(c1N)C)OC[C@@H](O)CO 7a_100011934200_100009815848 [0,2,0,0,0,0|1,0,0]=3 20176 B15R1.2993 Cc1cc(cc(c1N)C)SCC(O)CO 62a_100000737279_100011219619 [0,2,0,0,0,0|1,1,0]=4 20177 B15R1.2993 Cc1cc(cc(c1N)C)SCC(O)CO 62a_100011219619_100000737279 [0,2,0,0,0,0|1,1,0]=4 20178 B15R1.2993 Cc1cc(cc(c1N)C)SC[C@@H](O)CO 62a_100000737279_100009815848 [0,2,0,0,0,0|1,1,0]=4 20179 B15R1.2993 Cc1cc(cc(c1N)C)SC[C@@H](O)CO 62a_100009815848_100000737279 [0,2,0,0,0,0|1,1,0]=4 20180 B15R1.2993 Cc1cc(cc(c1N)F)SCC(O)CO 62a_100000709789_100011219619 [0,2,0,0,0,0|1,1,0]=4 20181 B15R1.2993 Cc1cc(cc(c1N)F)SCC(O)CO 62a_100011219619_100000709789 [0,2,0,0,0,0|1,1,0]=4 20182 B15R1.2993 Cc1cc(cc(c1N)F)SC[C@@H](O)CO 62a_100000709789_100009815848 [0,2,0,0,0,0|1,1,0]=4 20183 B15R1.2993 Cc1cc(cc(c1N)F)SC[C@@H](O)CO 62a_100009815848_100000709789 [0,2,0,0,0,0|1,1,0]=4 20184 B15R1.2993 Cc1cc(cc(c1N)N)SCC(O)CO 62a_100000688557_100011219619 [0,2,0,0,0,0|1,1,0]=4 20185 B15R1.2993 Cc1cc(cc(c1N)N)SCC(O)CO 62a_100011219619_100000688557 [0,2,0,0,0,0|1,1,0]=4 20186 B15R1.2993 Cc1cc(cc(c1N)N)SC[C@@H](O)CO 62a_100000688557_100009815848 [0,2,0,0,0,0|1,1,0]=4 20187 B15R1.2993 Cc1cc(cc(c1N)N)SC[C@@H](O)CO 62a_100009815848_100000688557 [0,2,0,0,0,0|1,1,0]=4 20188 B15R1.2993 Cc1cc(cc(c1N)O)SCC(O)CO 62a_100010371313_100011219619 [0,2,0,0,0,0|1,1,0]=4 20189 B15R1.2993 Cc1cc(cc(c1N)O)SCC(O)CO 62a_100011219619_100010371313 [0,2,0,0,0,0|1,1,0]=4 20190 B15R1.2993 Cc1cc(cc(c1N)O)SC[C@@H](O)CO 62a_100009815848_100010371313 [0,2,0,0,0,0|1,1,0]=4 20191 B15R1.2993 Cc1cc(cc(c1N)O)SC[C@@H](O)CO 62a_100010371313_100009815848 [0,2,0,0,0,0|1,1,0]=4 20192 B15R1.2993 Cc1cc(cc(c1O)Br)NCC(O)CO 34a_100010064301_100011219619 [0,2,0,0,0,0|2,0,0]=4 20193 B15R1.2993 Cc1cc(cc(c1O)Br)NCC(O)CO 7a_100010064301_100011219619 [0,2,0,0,0,0|2,0,0]=4 20194 B15R1.2993 Cc1cc(cc(c1O)Br)NC[C@@H](O)CO 34a_100010064301_100009815848 [0,2,0,0,0,0|2,0,0]=4 20195 B15R1.2993 Cc1cc(cc(c1O)Br)NC[C@@H](O)CO 7a_100010064301_100009815848 [0,2,0,0,0,0|2,0,0]=4 20196 B15R1.2993 Cc1cc(cc(c1O)Br)SCC(O)CO 62a_100010982682_100011219619 [0,2,0,0,0,0|1,1,0]=4 20197 B15R1.2993 Cc1cc(cc(c1O)Br)SCC(O)CO 62a_100011219619_100010982682 [0,2,0,0,0,0|1,1,0]=4 20198 B15R1.2993 Cc1cc(cc(c1O)Br)SC[C@@H](O)CO 62a_100009815848_100010982682 [0,2,0,0,0,0|1,1,0]=4 20199 B15R1.2993 Cc1cc(cc(c1O)Br)SC[C@@H](O)CO 62a_100010982682_100009815848 [0,2,0,0,0,0|1,1,0]=4 20200 B15R1.2993 Cc1cc(cc(c1O)C)NCC(O)CO 34a_100000703291_100011219619 [0,2,0,0,0,0|2,0,0]=4 20201 B15R1.2993 Cc1cc(cc(c1O)C)NCC(O)CO 7a_100000703291_100011219619 [0,2,0,0,0,0|2,0,0]=4 20202 B15R1.2993 Cc1cc(cc(c1O)C)NC[C@@H](O)CO 34a_100000703291_100009815848 [0,2,0,0,0,0|2,0,0]=4 20203 B15R1.2993 Cc1cc(cc(c1O)C)NC[C@@H](O)CO 7a_100000703291_100009815848 [0,2,0,0,0,0|2,0,0]=4 20204 B15R1.2993 Cc1cc(cc(c1O)C)SCC(O)CO 62a_100011216129_100011219619 [0,2,0,0,0,0|1,1,0]=4 20205 B15R1.2993 Cc1cc(cc(c1O)C)SCC(O)CO 62a_100011219619_100011216129 [0,2,0,0,0,0|1,1,0]=4 20206 B15R1.2993 Cc1cc(cc(c1O)C)SC[C@@H](O)CO 62a_100009815848_100011216129 [0,2,0,0,0,0|1,1,0]=4 20207 B15R1.2993 Cc1cc(cc(c1O)C)SC[C@@H](O)CO 62a_100011216129_100009815848 [0,2,0,0,0,0|1,1,0]=4 20208 B15R1.2993 Cc1cc(cc(c1O)Cl)SCC(O)CO 62a_100011219619_200015900153 [0,2,0,0,0,0|1,1,0]=4 20209 B15R1.2993 Cc1cc(cc(c1O)Cl)SCC(O)CO 62a_200015900153_100011219619 [0,2,0,0,0,0|1,1,0]=4 20210 B15R1.2993 Cc1cc(cc(c1O)Cl)SC[C@@H](O)CO 62a_100009815848_200015900153 [0,2,0,0,0,0|1,1,0]=4 20211 B15R1.2993 Cc1cc(cc(c1O)Cl)SC[C@@H](O)CO 62a_200015900153_100009815848 [0,2,0,0,0,0|1,1,0]=4 20212 B15R1.2993 Cc1cc(cc(c1O)N)SCC(O)CO 62a_100011219619_100011825904 [0,2,0,0,0,0|1,1,0]=4 20213 B15R1.2993 Cc1cc(cc(c1O)N)SCC(O)CO 62a_100011825904_100011219619 [0,2,0,0,0,0|1,1,0]=4 20214 B15R1.2993 Cc1cc(cc(c1O)N)SC[C@@H](O)CO 62a_100009815848_100011825904 [0,2,0,0,0,0|1,1,0]=4 20215 B15R1.2993 Cc1cc(cc(c1O)N)SC[C@@H](O)CO 62a_100011825904_100009815848 [0,2,0,0,0,0|1,1,0]=4 20216 B15R1.2993 Nc1c(cc(cc1Br)OCC(O)CO)Br 34a_200010887395_100011219619 [0,2,0,0,0,0|1,0,0]=3 20217 B15R1.2993 Nc1c(cc(cc1Br)OCC(O)CO)Br 7a_200010887395_100011219619 [0,2,0,0,0,0|1,0,0]=3 20218 B15R1.2993 Nc1c(cc(cc1Br)OC[C@@H](O)CF)Br 34a_200010887395_100015614560 [0,2,0,0,0,0|2,0,0]=4 20219 B15R1.2993 Nc1c(cc(cc1Br)OC[C@@H](O)CF)Br 7a_200010887395_100015614560 [0,2,0,0,0,0|2,0,0]=4 20220 B15R1.2993 Nc1c(cc(cc1Br)OC[C@@H](O)CO)Br 34a_200010887395_100009815848 [0,2,0,0,0,0|1,0,0]=3 20221 B15R1.2993 Nc1c(cc(cc1Br)OC[C@@H](O)CO)Br 7a_200010887395_100009815848 [0,2,0,0,0,0|1,0,0]=3 20222 B15R1.2993 Nc1c(cc(cc1F)OCC(O)CO)F 34a_100000036573_100011219619 [0,2,0,0,0,0|1,0,0]=3 20223 B15R1.2993 Nc1c(cc(cc1F)OCC(O)CO)F 7a_100000036573_100011219619 [0,2,0,0,0,0|1,0,0]=3 20224 B15R1.2993 Nc1c(cc(cc1F)OC[C@@H](O)CF)F 34a_100000036573_100015614560 [0,2,0,0,0,0|2,0,0]=4 20225 B15R1.2993 Nc1c(cc(cc1F)OC[C@@H](O)CF)F 7a_100000036573_100015614560 [0,2,0,0,0,0|2,0,0]=4 20226 B15R1.2993 Nc1c(cc(cc1F)OC[C@@H](O)CO)F 34a_100000036573_100009815848 [0,2,0,0,0,0|1,0,0]=3 20227 B15R1.2993 Nc1c(cc(cc1F)OC[C@@H](O)CO)F 7a_100000036573_100009815848 [0,2,0,0,0,0|1,0,0]=3 20228 B15R1.2993 Nc1c(cc(cc1F)SCC(O)CO)F 62a_100000758902_100011219619 [0,2,0,0,0,0|1,1,0]=4 20229 B15R1.2993 Nc1c(cc(cc1F)SCC(O)CO)F 62a_100011219619_100000758902 [0,2,0,0,0,0|1,1,0]=4 20230 B15R1.2993 Nc1c(cc(cc1F)SCC(O)CO)O 62a_100011219619_100015475841 [0,2,0,0,0,0|1,1,0]=4 20231 B15R1.2993 Nc1c(cc(cc1F)SCC(O)CO)O 62a_100015475841_100011219619 [0,2,0,0,0,0|1,1,0]=4 20232 B15R1.2993 Nc1c(cc(cc1F)SC[C@@H](O)CO)F 62a_100000758902_100009815848 [0,2,0,0,0,0|1,1,0]=4 20233 B15R1.2993 Nc1c(cc(cc1F)SC[C@@H](O)CO)F 62a_100009815848_100000758902 [0,2,0,0,0,0|1,1,0]=4 20234 B15R1.2993 Nc1c(cc(cc1F)SC[C@@H](O)CO)O 62a_100009815848_100015475841 [0,2,0,0,0,0|1,1,0]=4 20235 B15R1.2993 Nc1c(cc(cc1F)SC[C@@H](O)CO)O 62a_100015475841_100009815848 [0,2,0,0,0,0|1,1,0]=4 20236 B15R1.2993 Nc1cc(cc(c1N)F)SCC(O)CO 62a_100011218333_100011219619 [0,2,0,0,0,0|1,1,0]=4 20237 B15R1.2993 Nc1cc(cc(c1N)F)SCC(O)CO 62a_100011219619_100011218333 [0,2,0,0,0,0|1,1,0]=4 20238 B15R1.2993 Nc1cc(cc(c1N)F)SC[C@@H](O)CO 62a_100009815848_100011218333 [0,2,0,0,0,0|1,1,0]=4 20239 B15R1.2993 Nc1cc(cc(c1N)F)SC[C@@H](O)CO 62a_100011218333_100009815848 [0,2,0,0,0,0|1,1,0]=4 20240 B15R1.2993 Nc1cc(cc(c1O)F)SCC(O)CO 62a_100011217383_100011219619 [0,2,0,0,0,0|1,1,0]=4 20241 B15R1.2993 Nc1cc(cc(c1O)F)SCC(O)CO 62a_100011219619_100011217383 [0,2,0,0,0,0|1,1,0]=4 20242 B15R1.2993 Nc1cc(cc(c1O)F)SC[C@@H](O)CO 62a_100009815848_100011217383 [0,2,0,0,0,0|1,1,0]=4 20243 B15R1.2993 Nc1cc(cc(c1O)F)SC[C@@H](O)CO 62a_100011217383_100009815848 [0,2,0,0,0,0|1,1,0]=4 20244 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100011219619 [0,2,0,0,0,0|1,0,0]=3 20245 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100011219619 [0,2,0,0,0,0|1,0,0]=3 20246 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100011219619 [0,2,0,0,0,0|1,0,0]=3 20247 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100011219619 [0,2,0,0,0,0|1,1,0]=4 20248 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100011219619 [0,2,0,0,0,0|1,1,0]=4 20249 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100011219619 [0,2,0,0,0,0|1,1,0]=4 20250 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)F)F 2230a_100009816004_100011219619 [0,2,0,0,0,0|1,1,0]=4 20251 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)F)F 34a_100009816004_100011219619 [0,2,0,0,0,0|1,1,0]=4 20252 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)F)F 7a_100009816004_100011219619 [0,2,0,0,0,0|1,1,0]=4 20253 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100011219619 [0,2,0,0,0,0|2,0,0]=4 20254 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Br)Cl 2230a_100010212259_100011219619 [0,2,0,0,0,0|1,1,0]=4 20255 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Br)Cl 34a_100010212259_100011219619 [0,2,0,0,0,0|1,1,0]=4 20256 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Br)Cl 7a_100010212259_100011219619 [0,2,0,0,0,0|1,1,0]=4 20257 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Br)F 2230a_100000728458_100011219619 [0,2,0,0,0,0|1,1,0]=4 20258 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Br)F 34a_100000728458_100011219619 [0,2,0,0,0,0|1,1,0]=4 20259 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Br)F 7a_100000728458_100011219619 [0,2,0,0,0,0|1,1,0]=4 20260 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100011219619 [0,2,0,0,0,0|1,0,0]=3 20261 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100011219619 [0,2,0,0,0,0|1,0,0]=3 20262 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100011219619 [0,2,0,0,0,0|1,0,0]=3 20263 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100011219619 [0,2,0,0,0,0|1,0,0]=3 20264 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100011219619 [0,2,0,0,0,0|1,0,0]=3 20265 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100011219619 [0,2,0,0,0,0|1,0,0]=3 20266 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100011219619 [0,2,0,0,0,0|1,0,0]=3 20267 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)F)Cl 2230a_100000700460_100011219619 [0,2,0,0,0,0|1,1,0]=4 20268 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)F)Cl 34a_100000700460_100011219619 [0,2,0,0,0,0|1,1,0]=4 20269 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)F)Cl 7a_100000700460_100011219619 [0,2,0,0,0,0|1,1,0]=4 20270 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)F)F 2230a_200009857453_100011219619 [0,2,0,0,0,0|1,1,0]=4 20271 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)F)F 34a_200009857453_100011219619 [0,2,0,0,0,0|1,1,0]=4 20272 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)F)F 7a_200009857453_100011219619 [0,2,0,0,0,0|1,1,0]=4 20273 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)I)F 34a_100014833993_100011219619 [0,2,0,0,0,0|1,1,0]=4 20274 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)I)F 7a_100014833993_100011219619 [0,2,0,0,0,0|1,1,0]=4 20275 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)O)Cl 34a_100000695418_100011219619 [0,2,0,0,0,0|2,0,0]=4 20276 B15R1.2993 OCC(O)CNc1cc(c(c(c1)Cl)O)Cl 7a_100000695418_100011219619 [0,2,0,0,0,0|2,0,0]=4 20277 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)Br)F 2230a_100000687227_100011219619 [0,2,0,0,0,0|1,1,0]=4 20278 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)Br)F 34a_100000687227_100011219619 [0,2,0,0,0,0|1,1,0]=4 20279 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)Br)F 7a_100000687227_100011219619 [0,2,0,0,0,0|1,1,0]=4 20280 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100011219619 [0,2,0,0,0,0|1,0,0]=3 20281 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100011219619 [0,2,0,0,0,0|1,0,0]=3 20282 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100011219619 [0,2,0,0,0,0|1,0,0]=3 20283 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)F)F 2230a_100000750163_100011219619 [0,2,0,0,0,0|1,1,0]=4 20284 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)F)F 34a_100000750163_100011219619 [0,2,0,0,0,0|1,1,0]=4 20285 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)F)F 7a_100000750163_100011219619 [0,2,0,0,0,0|1,1,0]=4 20286 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)I)F 34a_100000057532_100011219619 [0,2,0,0,0,0|1,1,0]=4 20287 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)I)F 7a_100000057532_100011219619 [0,2,0,0,0,0|1,1,0]=4 20288 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)O)F 34a_100016987357_100011219619 [0,2,0,0,0,0|2,0,0]=4 20289 B15R1.2993 OCC(O)CNc1cc(c(c(c1)F)O)F 7a_100016987357_100011219619 [0,2,0,0,0,0|2,0,0]=4 20290 B15R1.2993 OCC(O)COc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100011219619 [0,2,0,0,0,0|0,0,0]=2 20291 B15R1.2993 OCC(O)COc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100011219619 [0,2,0,0,0,0|0,0,0]=2 20292 B15R1.2993 OCC(O)COc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100011219619 [0,2,0,0,0,0|0,1,0]=3 20293 B15R1.2993 OCC(O)COc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100011219619 [0,2,0,0,0,0|0,1,0]=3 20294 B15R1.2993 OCC(O)COc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100011219619 [0,2,0,0,0,0|0,1,0]=3 20295 B15R1.2993 OCC(O)COc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100011219619 [0,2,0,0,0,0|0,1,0]=3 20296 B15R1.2993 OCC(O)COc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100011219619 [0,2,0,0,0,0|0,0,0]=2 20297 B15R1.2993 OCC(O)COc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100011219619 [0,2,0,0,0,0|0,0,0]=2 20298 B15R1.2993 OCC(O)COc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100011219619 [0,2,0,0,0,0|0,1,0]=3 20299 B15R1.2993 OCC(O)COc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100011219619 [0,2,0,0,0,0|0,1,0]=3 20300 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)Br)F 34a_100009816007_100011219619 [0,2,0,0,0,0|0,1,0]=3 20301 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)Br)F 7a_100009816007_100011219619 [0,2,0,0,0,0|0,1,0]=3 20302 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100011219619 [0,2,0,0,0,0|0,0,0]=2 20303 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100011219619 [0,2,0,0,0,0|0,0,0]=2 20304 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)F)F 34a_100000237451_100011219619 [0,2,0,0,0,0|0,1,0]=3 20305 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)F)F 7a_100000237451_100011219619 [0,2,0,0,0,0|0,1,0]=3 20306 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)I)F 34a_100010219129_100011219619 [0,2,0,0,0,0|0,1,0]=3 20307 B15R1.2993 OCC(O)COc1cc(c(c(c1)F)I)F 7a_100010219129_100011219619 [0,2,0,0,0,0|0,1,0]=3 20308 B15R1.2993 OCC(O)CSc1cc(c(c(c1)Cl)Br)Cl 62a_100011219619_200010212260 [0,2,0,0,0,0|0,2,0]=4 20309 B15R1.2993 OCC(O)CSc1cc(c(c(c1)Cl)Br)Cl 62a_200010212260_100011219619 [0,2,0,0,0,0|0,2,0]=4 20310 B15R1.2993 OCC(O)CSc1cc(c(c(c1)Cl)F)Cl 62a_100011219619_100012357505 [0,2,0,0,0,0|0,2,0]=4 20311 B15R1.2993 OCC(O)CSc1cc(c(c(c1)Cl)F)Cl 62a_100012357505_100011219619 [0,2,0,0,0,0|0,2,0]=4 20312 B15R1.2993 OCC(O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100011219619_100012339652 [0,2,0,0,0,0|1,1,0]=4 20313 B15R1.2993 OCC(O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100012339652_100011219619 [0,2,0,0,0,0|1,1,0]=4 20314 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)Br)F 62a_100010176052_100011219619 [0,2,0,0,0,0|0,2,0]=4 20315 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)Br)F 62a_100011219619_100010176052 [0,2,0,0,0,0|0,2,0]=4 20316 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100011219619 [0,2,0,0,0,0|0,1,0]=3 20317 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)Cl)F 62a_100011219619_100010154629 [0,2,0,0,0,0|0,1,0]=3 20318 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)F)F 62a_100011215606_100011219619 [0,2,0,0,0,0|0,2,0]=4 20319 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)F)F 62a_100011219619_100011215606 [0,2,0,0,0,0|0,2,0]=4 20320 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)F)O 62a_100000709865_100011219619 [0,2,0,0,0,0|0,2,0]=4 20321 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)F)O 62a_100011219619_100000709865 [0,2,0,0,0,0|0,2,0]=4 20322 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)O)F 62a_100011216917_100011219619 [0,2,0,0,0,0|1,1,0]=4 20323 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)O)F 62a_100011219619_100011216917 [0,2,0,0,0,0|1,1,0]=4 20324 B15R1.2993 OCC(O)CSc1cc(c(c(c1)F)O)O 62a_100011219619_100010114375 [0,2,0,0,0,0|1,1,0]=4 20325 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100009815848 [0,2,0,0,0,0|1,0,0]=3 20326 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100009815848 [0,2,0,0,0,0|1,0,0]=3 20327 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100009815848 [0,2,0,0,0,0|1,0,0]=3 20328 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100009815848 [0,2,0,0,0,0|1,1,0]=4 20329 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100009815848 [0,2,0,0,0,0|1,1,0]=4 20330 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100009815848 [0,2,0,0,0,0|1,1,0]=4 20331 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)F)F 2230a_100009816004_100009815848 [0,2,0,0,0,0|1,1,0]=4 20332 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)F)F 34a_100009816004_100009815848 [0,2,0,0,0,0|1,1,0]=4 20333 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)F)F 7a_100009816004_100009815848 [0,2,0,0,0,0|1,1,0]=4 20334 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100009815848 [0,2,0,0,0,0|2,0,0]=4 20335 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Br)Cl 2230a_100010212259_100009815848 [0,2,0,0,0,0|1,1,0]=4 20336 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Br)Cl 34a_100010212259_100009815848 [0,2,0,0,0,0|1,1,0]=4 20337 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Br)Cl 7a_100010212259_100009815848 [0,2,0,0,0,0|1,1,0]=4 20338 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Br)F 2230a_100000728458_100009815848 [0,2,0,0,0,0|1,1,0]=4 20339 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Br)F 34a_100000728458_100009815848 [0,2,0,0,0,0|1,1,0]=4 20340 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Br)F 7a_100000728458_100009815848 [0,2,0,0,0,0|1,1,0]=4 20341 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100009815848 [0,2,0,0,0,0|1,0,0]=3 20342 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100009815848 [0,2,0,0,0,0|1,0,0]=3 20343 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100009815848 [0,2,0,0,0,0|1,0,0]=3 20344 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100009815848 [0,2,0,0,0,0|1,0,0]=3 20345 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100009815848 [0,2,0,0,0,0|1,0,0]=3 20346 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100009815848 [0,2,0,0,0,0|1,0,0]=3 20347 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100009815848 [0,2,0,0,0,0|1,0,0]=3 20348 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)F)Cl 2230a_100000700460_100009815848 [0,2,0,0,0,0|1,1,0]=4 20349 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)F)Cl 34a_100000700460_100009815848 [0,2,0,0,0,0|1,1,0]=4 20350 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)F)Cl 7a_100000700460_100009815848 [0,2,0,0,0,0|1,1,0]=4 20351 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)F)F 2230a_200009857453_100009815848 [0,2,0,0,0,0|1,1,0]=4 20352 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)F)F 34a_200009857453_100009815848 [0,2,0,0,0,0|1,1,0]=4 20353 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)F)F 7a_200009857453_100009815848 [0,2,0,0,0,0|1,1,0]=4 20354 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)I)F 34a_100014833993_100009815848 [0,2,0,0,0,0|1,1,0]=4 20355 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)I)F 7a_100014833993_100009815848 [0,2,0,0,0,0|1,1,0]=4 20356 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)O)Cl 34a_100000695418_100009815848 [0,2,0,0,0,0|2,0,0]=4 20357 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)Cl)O)Cl 7a_100000695418_100009815848 [0,2,0,0,0,0|2,0,0]=4 20358 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)Br)F 2230a_100000687227_100009815848 [0,2,0,0,0,0|1,1,0]=4 20359 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)Br)F 34a_100000687227_100009815848 [0,2,0,0,0,0|1,1,0]=4 20360 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)Br)F 7a_100000687227_100009815848 [0,2,0,0,0,0|1,1,0]=4 20361 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100009815848 [0,2,0,0,0,0|1,0,0]=3 20362 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100009815848 [0,2,0,0,0,0|1,0,0]=3 20363 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100009815848 [0,2,0,0,0,0|1,0,0]=3 20364 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)F)F 2230a_100000750163_100009815848 [0,2,0,0,0,0|1,1,0]=4 20365 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)F)F 34a_100000750163_100009815848 [0,2,0,0,0,0|1,1,0]=4 20366 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)F)F 7a_100000750163_100009815848 [0,2,0,0,0,0|1,1,0]=4 20367 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)I)F 34a_100000057532_100009815848 [0,2,0,0,0,0|1,1,0]=4 20368 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)I)F 7a_100000057532_100009815848 [0,2,0,0,0,0|1,1,0]=4 20369 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)O)F 34a_100016987357_100009815848 [0,2,0,0,0,0|2,0,0]=4 20370 B15R1.2993 OC[C@H](O)CNc1cc(c(c(c1)F)O)F 7a_100016987357_100009815848 [0,2,0,0,0,0|2,0,0]=4 20371 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100009815848 [0,2,0,0,0,0|0,0,0]=2 20372 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100009815848 [0,2,0,0,0,0|0,0,0]=2 20373 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100009815848 [0,2,0,0,0,0|0,1,0]=3 20374 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100009815848 [0,2,0,0,0,0|0,1,0]=3 20375 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100009815848 [0,2,0,0,0,0|0,1,0]=3 20376 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100009815848 [0,2,0,0,0,0|0,1,0]=3 20377 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100009815848 [0,2,0,0,0,0|0,0,0]=2 20378 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100009815848 [0,2,0,0,0,0|0,0,0]=2 20379 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100009815848 [0,2,0,0,0,0|0,1,0]=3 20380 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100009815848 [0,2,0,0,0,0|0,1,0]=3 20381 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)Br)F 34a_100009816007_100009815848 [0,2,0,0,0,0|0,1,0]=3 20382 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)Br)F 7a_100009816007_100009815848 [0,2,0,0,0,0|0,1,0]=3 20383 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100009815848 [0,2,0,0,0,0|0,0,0]=2 20384 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100009815848 [0,2,0,0,0,0|0,0,0]=2 20385 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)F)F 34a_100000237451_100009815848 [0,2,0,0,0,0|0,1,0]=3 20386 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)F)F 7a_100000237451_100009815848 [0,2,0,0,0,0|0,1,0]=3 20387 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)I)F 34a_100010219129_100009815848 [0,2,0,0,0,0|0,1,0]=3 20388 B15R1.2993 OC[C@H](O)COc1cc(c(c(c1)F)I)F 7a_100010219129_100009815848 [0,2,0,0,0,0|0,1,0]=3 20389 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)Cl)Br)Cl 62a_100009815848_200010212260 [0,2,0,0,0,0|0,2,0]=4 20390 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)Cl)Br)Cl 62a_200010212260_100009815848 [0,2,0,0,0,0|0,2,0]=4 20391 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)Cl)F)Cl 62a_100009815848_100012357505 [0,2,0,0,0,0|0,2,0]=4 20392 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)Cl)F)Cl 62a_100012357505_100009815848 [0,2,0,0,0,0|0,2,0]=4 20393 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100009815848_100012339652 [0,2,0,0,0,0|1,1,0]=4 20394 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100012339652_100009815848 [0,2,0,0,0,0|1,1,0]=4 20395 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)Br)F 62a_100009815848_100010176052 [0,2,0,0,0,0|0,2,0]=4 20396 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)Br)F 62a_100010176052_100009815848 [0,2,0,0,0,0|0,2,0]=4 20397 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)Cl)F 62a_100009815848_100010154629 [0,2,0,0,0,0|0,1,0]=3 20398 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100009815848 [0,2,0,0,0,0|0,1,0]=3 20399 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)F)F 62a_100009815848_100011215606 [0,2,0,0,0,0|0,2,0]=4 20400 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)F)F 62a_100011215606_100009815848 [0,2,0,0,0,0|0,2,0]=4 20401 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)F)O 62a_100000709865_100009815848 [0,2,0,0,0,0|0,2,0]=4 20402 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)F)O 62a_100009815848_100000709865 [0,2,0,0,0,0|0,2,0]=4 20403 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)O)F 62a_100009815848_100011216917 [0,2,0,0,0,0|1,1,0]=4 20404 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)O)F 62a_100011216917_100009815848 [0,2,0,0,0,0|1,1,0]=4 20405 B15R1.2993 OC[C@H](O)CSc1cc(c(c(c1)F)O)O 62a_100009815848_100010114375 [0,2,0,0,0,0|1,1,0]=4 20406 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Br)Cl)Cl 2230a_100010735061_100015614560 [0,2,0,0,0,0|2,0,0]=4 20407 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Br)Cl)Cl 34a_100010735061_100015614560 [0,2,0,0,0,0|2,0,0]=4 20408 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Br)Cl)Cl 7a_100010735061_100015614560 [0,2,0,0,0,0|2,0,0]=4 20409 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Cl)Cl)Cl 34a_100000037808_100015614560 [0,2,0,0,0,0|2,0,0]=4 20410 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Cl)Cl)Cl 7a_100000037808_100015614560 [0,2,0,0,0,0|2,0,0]=4 20411 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Cl)Cl)F 2230a_100012961779_100015614560 [0,2,0,0,0,0|2,0,0]=4 20412 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Cl)Cl)F 34a_100012961779_100015614560 [0,2,0,0,0,0|2,0,0]=4 20413 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)Cl)Cl)F 7a_100012961779_100015614560 [0,2,0,0,0,0|2,0,0]=4 20414 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)F)Cl)F 2230a_100000094121_100015614560 [0,2,0,0,0,0|2,0,0]=4 20415 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)F)Cl)F 34a_100000094121_100015614560 [0,2,0,0,0,0|2,0,0]=4 20416 B15R1.2993 O[C@@H](CF)CNc1cc(c(c(c1)F)Cl)F 7a_100000094121_100015614560 [0,2,0,0,0,0|2,0,0]=4 20417 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Br)Cl)Cl 34a_100016179818_100015614560 [0,2,0,0,0,0|1,0,0]=3 20418 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Br)Cl)Cl 7a_100016179818_100015614560 [0,2,0,0,0,0|1,0,0]=3 20419 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Br)F)Cl 34a_200011105948_100015614560 [0,2,0,0,0,0|1,1,0]=4 20420 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Br)F)Cl 7a_200011105948_100015614560 [0,2,0,0,0,0|1,1,0]=4 20421 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Cl)Br)Cl 34a_100009888979_100015614560 [0,2,0,0,0,0|1,1,0]=4 20422 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Cl)Br)Cl 7a_100009888979_100015614560 [0,2,0,0,0,0|1,1,0]=4 20423 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Cl)Cl)Cl 34a_100000074982_100015614560 [0,2,0,0,0,0|1,0,0]=3 20424 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Cl)Cl)Cl 7a_100000074982_100015614560 [0,2,0,0,0,0|1,0,0]=3 20425 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Cl)F)Cl 34a_100012242831_100015614560 [0,2,0,0,0,0|1,1,0]=4 20426 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)Cl)F)Cl 7a_100012242831_100015614560 [0,2,0,0,0,0|1,1,0]=4 20427 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)Br)F 34a_100009816007_100015614560 [0,2,0,0,0,0|1,1,0]=4 20428 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)Br)F 7a_100009816007_100015614560 [0,2,0,0,0,0|1,1,0]=4 20429 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)Cl)F 34a_100000117300_100015614560 [0,2,0,0,0,0|1,0,0]=3 20430 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)Cl)F 7a_100000117300_100015614560 [0,2,0,0,0,0|1,0,0]=3 20431 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)F)F 34a_100000237451_100015614560 [0,2,0,0,0,0|1,1,0]=4 20432 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)F)F 7a_100000237451_100015614560 [0,2,0,0,0,0|1,1,0]=4 20433 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)I)F 34a_100010219129_100015614560 [0,2,0,0,0,0|1,1,0]=4 20434 B15R1.2993 O[C@@H](CF)COc1cc(c(c(c1)F)I)F 7a_100010219129_100015614560 [0,2,0,0,0,0|1,1,0]=4 20435 B15R1.2993 O[C@@H](CF)CSc1cc(c(c(c1)F)Cl)F 62a_100010154629_100015614560 [0,2,0,0,0,0|1,1,0]=4 20436 B15R1.2993 O[C@@H](CF)CSc1cc(c(c(c1)F)Cl)F 62a_100015614560_100010154629 [0,2,0,0,0,0|1,1,0]=4 20437 B15R1.2993 Oc1cc(cc(c1Cl)Cl)NC[C@@H](O)CF 34a_100015839415_100015614560 [0,2,0,0,0,0|2,0,0]=4 20438 B15R1.2993 Oc1cc(cc(c1Cl)Cl)NC[C@@H](O)CF 7a_100015839415_100015614560 [0,2,0,0,0,0|2,0,0]=4 20439 B15R1.4039 C#Cc1cc(ccc1C)NCC(O)CO 2230a_200012017271_100011219619 [0,2,0,0,0,0|2,0,0]=4 20440 B15R1.4039 C#Cc1cc(ccc1C)NCC(O)CO 34a_200012017271_100011219619 [0,2,0,0,0,0|2,0,0]=4 20441 B15R1.4039 C#Cc1cc(ccc1C)NC[C@@H](O)CO 2230a_200012017271_100009815848 [0,2,0,0,0,0|2,0,0]=4 20442 B15R1.4039 C#Cc1cc(ccc1C)NC[C@@H](O)CO 34a_200012017271_100009815848 [0,2,0,0,0,0|2,0,0]=4 20443 B15R1.4039 C#Cc1cc(ccc1Cl)NCC(O)CC 2230a_103624766972_100011218378 [0,2,0,0,0,0|2,0,0]=4 20444 B15R1.4039 C#Cc1cc(ccc1Cl)NCC(O)CC 34a_103624766972_100011218378 [0,2,0,0,0,0|2,0,0]=4 20445 B15R1.4039 C#Cc1cc(ccc1Cl)NCC(O)CO 2230a_103624766972_100011219619 [0,2,0,0,0,0|1,0,0]=3 20446 B15R1.4039 C#Cc1cc(ccc1Cl)NCC(O)CO 34a_103624766972_100011219619 [0,2,0,0,0,0|1,0,0]=3 20447 B15R1.4039 C#Cc1cc(ccc1Cl)NC[C@@H](C)CO 2230a_103624766972_100000059175 [0,2,0,0,0,0|2,0,0]=4 20448 B15R1.4039 C#Cc1cc(ccc1Cl)NC[C@@H](C)CO 34a_103624766972_100000059175 [0,2,0,0,0,0|2,0,0]=4 20449 B15R1.4039 C#Cc1cc(ccc1Cl)NC[C@@H](O)CF 2230a_103624766972_100015614560 [0,2,0,0,0,0|2,0,0]=4 20450 B15R1.4039 C#Cc1cc(ccc1Cl)NC[C@@H](O)CF 34a_103624766972_100015614560 [0,2,0,0,0,0|2,0,0]=4 20451 B15R1.4039 C#Cc1cc(ccc1Cl)NC[C@@H](O)CO 2230a_103624766972_100009815848 [0,2,0,0,0,0|1,0,0]=3 20452 B15R1.4039 C#Cc1cc(ccc1Cl)NC[C@@H](O)CO 34a_103624766972_100009815848 [0,2,0,0,0,0|1,0,0]=3 20453 B15R1.4039 C#Cc1cc(ccc1F)NCC(O)CO 2230a_200011999510_100011219619 [0,2,0,0,0,0|1,1,0]=4 20454 B15R1.4039 C#Cc1cc(ccc1F)NCC(O)CO 34a_200011999510_100011219619 [0,2,0,0,0,0|1,1,0]=4 20455 B15R1.4039 C#Cc1cc(ccc1F)NC[C@@H](O)CO 2230a_200011999510_100009815848 [0,2,0,0,0,0|1,1,0]=4 20456 B15R1.4039 C#Cc1cc(ccc1F)NC[C@@H](O)CO 34a_200011999510_100009815848 [0,2,0,0,0,0|1,1,0]=4 20457 B15R1.4039 C=CC(O)COc1ccc(c(c1)C#N)Cl 34a_100000092820_100000730141 [0,2,0,0,0,0|1,0,1]=4 20458 B15R1.4039 C=CC(O)COc1ccc(c(c1)C#N)Cl 7a_100000092820_100000730141 [0,2,0,0,0,0|1,0,1]=4 20459 B15R1.4039 C=CC(O)COc1ccc(c(c1)CC)Cl 34a_100000212063_100000730141 [0,2,0,0,0,0|1,0,1]=4 20460 B15R1.4039 C=CC(O)COc1ccc(c(c1)CC)Cl 7a_100000212063_100000730141 [0,2,0,0,0,0|1,0,1]=4 20461 B15R1.4039 C=CC(O)COc1ccc(c(c1)CO)Cl 34a_100000091669_100000730141 [0,2,0,0,0,0|1,0,1]=4 20462 B15R1.4039 C=CC(O)COc1ccc(c(c1)CO)Cl 7a_100000091669_100000730141 [0,2,0,0,0,0|1,0,1]=4 20463 B15R1.4039 C=CC(O)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000730141 [0,2,0,0,0,0|1,0,1]=4 20464 B15R1.4039 C=CC(O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000730141 [0,2,0,0,0,0|1,0,1]=4 20465 B15R1.4039 C=Cc1cc(ccc1F)SCC(O)CO 62a_100000688377_100011219619 [0,2,0,0,0,0|0,2,0]=4 20466 B15R1.4039 C=Cc1cc(ccc1F)SCC(O)CO 62a_100011219619_100000688377 [0,2,0,0,0,0|0,2,0]=4 20467 B15R1.4039 C=Cc1cc(ccc1F)SC[C@@H](O)CO 62a_100000688377_100009815848 [0,2,0,0,0,0|0,2,0]=4 20468 B15R1.4039 C=Cc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100000688377 [0,2,0,0,0,0|0,2,0]=4 20469 B15R1.4039 CCC(C)COc1ccc(c(c1)C#N)Cl 34a_100000092820_100000748023 [0,2,0,0,0,0|2,0,0]=4 20470 B15R1.4039 CCC(C)COc1ccc(c(c1)C#N)Cl 7a_100000092820_100000748023 [0,2,0,0,0,0|2,0,0]=4 20471 B15R1.4039 CCC(C)COc1ccc(c(c1)CO)Cl 34a_100000091669_100000748023 [0,2,0,0,0,0|2,0,0]=4 20472 B15R1.4039 CCC(C)COc1ccc(c(c1)CO)Cl 7a_100000091669_100000748023 [0,2,0,0,0,0|2,0,0]=4 20473 B15R1.4039 CCC(C)COc1ccc(c(c1)OC)Cl 34a_100012186310_100000748023 [0,2,0,0,0,0|2,0,0]=4 20474 B15R1.4039 CCC(C)COc1ccc(c(c1)OC)Cl 7a_100012186310_100000748023 [0,2,0,0,0,0|2,0,0]=4 20475 B15R1.4039 CCC(O)CNc1ccc(c(c1)C#N)Cl 34a_100000239497_100011218378 [0,2,0,0,0,0|2,0,0]=4 20476 B15R1.4039 CCC(O)CNc1ccc(c(c1)C#N)Cl 7a_100000239497_100011218378 [0,2,0,0,0,0|2,0,0]=4 20477 B15R1.4039 CCC(O)CNc1ccc(c(c1)CO)Cl 2230a_100011273577_100011218378 [0,2,0,0,0,0|2,0,0]=4 20478 B15R1.4039 CCC(O)CNc1ccc(c(c1)CO)Cl 34a_100011273577_100011218378 [0,2,0,0,0,0|2,0,0]=4 20479 B15R1.4039 CCC(O)CNc1ccc(c(c1)OC)Cl 2230a_100000742311_100011218378 [0,2,0,0,0,0|2,0,0]=4 20480 B15R1.4039 CCC(O)CNc1ccc(c(c1)OC)Cl 34a_100000742311_100011218378 [0,2,0,0,0,0|2,0,0]=4 20481 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)Br 34a_100009818209_100011218378 [0,2,0,0,0,0|1,1,0]=4 20482 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)Br 7a_100009818209_100011218378 [0,2,0,0,0,0|1,1,0]=4 20483 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)Cl 34a_100000092820_100011218378 [0,2,0,0,0,0|1,0,0]=3 20484 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)Cl 7a_100000092820_100011218378 [0,2,0,0,0,0|1,0,0]=3 20485 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)F 34a_100000070142_100011218378 [0,2,0,0,0,0|1,1,0]=4 20486 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)F 7a_100000070142_100011218378 [0,2,0,0,0,0|1,1,0]=4 20487 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)N 34a_200011997737_100011218378 [0,2,0,0,0,0|2,0,0]=4 20488 B15R1.4039 CCC(O)COc1ccc(c(c1)C#N)N 7a_200011997737_100011218378 [0,2,0,0,0,0|2,0,0]=4 20489 B15R1.4039 CCC(O)COc1ccc(c(c1)CN)C 34a_200009844824_100011218378 [0,2,0,0,0,0|2,0,0]=4 20490 B15R1.4039 CCC(O)COc1ccc(c(c1)CO)Br 34a_100012351483_100011218378 [0,2,0,0,0,0|1,1,0]=4 20491 B15R1.4039 CCC(O)COc1ccc(c(c1)CO)Br 7a_100012351483_100011218378 [0,2,0,0,0,0|1,1,0]=4 20492 B15R1.4039 CCC(O)COc1ccc(c(c1)CO)C 34a_100009878257_100011218378 [0,2,0,0,0,0|2,0,0]=4 20493 B15R1.4039 CCC(O)COc1ccc(c(c1)CO)C 7a_100009878257_100011218378 [0,2,0,0,0,0|2,0,0]=4 20494 B15R1.4039 CCC(O)COc1ccc(c(c1)CO)Cl 34a_100000091669_100011218378 [0,2,0,0,0,0|1,0,0]=3 20495 B15R1.4039 CCC(O)COc1ccc(c(c1)CO)Cl 7a_100000091669_100011218378 [0,2,0,0,0,0|1,0,0]=3 20496 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)Br 34a_100011827694_100011218378 [0,2,0,0,0,0|1,1,0]=4 20497 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)Br 7a_100011827694_100011218378 [0,2,0,0,0,0|1,1,0]=4 20498 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)C 34a_100009865632_100011218378 [0,2,0,0,0,0|2,0,0]=4 20499 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)C 7a_100009865632_100011218378 [0,2,0,0,0,0|2,0,0]=4 20500 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)Cl 34a_100012186310_100011218378 [0,2,0,0,0,0|1,0,0]=3 20501 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)Cl 7a_100012186310_100011218378 [0,2,0,0,0,0|1,0,0]=3 20502 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)F 34a_100012001760_100011218378 [0,2,0,0,0,0|1,1,0]=4 20503 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)F 7a_100012001760_100011218378 [0,2,0,0,0,0|1,1,0]=4 20504 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)N 34a_100015326901_100011218378 [0,2,0,0,0,0|2,0,0]=4 20505 B15R1.4039 CCC(O)COc1ccc(c(c1)OC)N 7a_100015326901_100011218378 [0,2,0,0,0,0|2,0,0]=4 20506 B15R1.4039 CCC(O)CSc1ccc(c(c1)C#N)Cl 62a_100011218378_100011356831 [0,2,0,0,0,0|1,1,0]=4 20507 B15R1.4039 CCC(O)CSc1ccc(c(c1)C=O)Cl 62a_100010254384_100011218378 [0,2,0,0,0,0|1,1,0]=4 20508 B15R1.4039 CCC(O)CSc1ccc(c(c1)C=O)Cl 62a_100011218378_100010254384 [0,2,0,0,0,0|1,1,0]=4 20509 B15R1.4039 CCC(O)CSc1ccc(c(c1)CO)Cl 62a_100010128486_100011218378 [0,2,0,0,0,0|1,1,0]=4 20510 B15R1.4039 CCC(O)CSc1ccc(c(c1)CO)Cl 62a_100011218378_100010128486 [0,2,0,0,0,0|1,1,0]=4 20511 B15R1.4039 CCC(O)CSc1ccc(c(c1)OC)Cl 62a_100011218378_100011356853 [0,2,0,0,0,0|1,1,0]=4 20512 B15R1.4039 CCC(O)CSc1ccc(c(c1)OC)Cl 62a_100011356853_100011218378 [0,2,0,0,0,0|1,1,0]=4 20513 B15R1.4039 CC[C@H](C)COc1ccc(c(c1)C#N)Cl 34a_100000092820_100009816398 [0,2,0,0,0,0|2,0,0]=4 20514 B15R1.4039 CC[C@H](C)COc1ccc(c(c1)C#N)Cl 7a_100000092820_100009816398 [0,2,0,0,0,0|2,0,0]=4 20515 B15R1.4039 CC[C@H](C)COc1ccc(c(c1)CO)Cl 34a_100000091669_100009816398 [0,2,0,0,0,0|2,0,0]=4 20516 B15R1.4039 CC[C@H](C)COc1ccc(c(c1)CO)Cl 7a_100000091669_100009816398 [0,2,0,0,0,0|2,0,0]=4 20517 B15R1.4039 CC[C@H](C)COc1ccc(c(c1)OC)Cl 34a_100012186310_100009816398 [0,2,0,0,0,0|2,0,0]=4 20518 B15R1.4039 CC[C@H](C)COc1ccc(c(c1)OC)Cl 7a_100012186310_100009816398 [0,2,0,0,0,0|2,0,0]=4 20519 B15R1.4039 CCc1cc(ccc1Br)NCC(O)CO 2230a_100010109747_100011219619 [0,2,0,0,0,0|1,1,0]=4 20520 B15R1.4039 CCc1cc(ccc1Br)NCC(O)CO 34a_100010109747_100011219619 [0,2,0,0,0,0|1,1,0]=4 20521 B15R1.4039 CCc1cc(ccc1Br)NCC(O)CO 7a_100010109747_100011219619 [0,2,0,0,0,0|1,1,0]=4 20522 B15R1.4039 CCc1cc(ccc1Br)NC[C@@H](O)CO 2230a_100010109747_100009815848 [0,2,0,0,0,0|1,1,0]=4 20523 B15R1.4039 CCc1cc(ccc1Br)NC[C@@H](O)CO 34a_100010109747_100009815848 [0,2,0,0,0,0|1,1,0]=4 20524 B15R1.4039 CCc1cc(ccc1Br)NC[C@@H](O)CO 7a_100010109747_100009815848 [0,2,0,0,0,0|1,1,0]=4 20525 B15R1.4039 CCc1cc(ccc1Br)SCC(O)CO 62a_100010244631_100011219619 [0,2,0,0,0,0|0,2,0]=4 20526 B15R1.4039 CCc1cc(ccc1Br)SCC(O)CO 62a_100011219619_100010244631 [0,2,0,0,0,0|0,2,0]=4 20527 B15R1.4039 CCc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100010244631 [0,2,0,0,0,0|0,2,0]=4 20528 B15R1.4039 CCc1cc(ccc1Br)SC[C@@H](O)CO 62a_100010244631_100009815848 [0,2,0,0,0,0|0,2,0]=4 20529 B15R1.4039 CCc1cc(ccc1Cl)OCC(C)CC 34a_100000212063_100000748023 [0,2,0,0,0,0|2,0,0]=4 20530 B15R1.4039 CCc1cc(ccc1Cl)OCC(C)CC 7a_100000212063_100000748023 [0,2,0,0,0,0|2,0,0]=4 20531 B15R1.4039 CCc1cc(ccc1Cl)OCC(O)CC 34a_100000212063_100011218378 [0,2,0,0,0,0|1,0,0]=3 20532 B15R1.4039 CCc1cc(ccc1Cl)OCC(O)CC 7a_100000212063_100011218378 [0,2,0,0,0,0|1,0,0]=3 20533 B15R1.4039 CCc1cc(ccc1Cl)OCC(O)CO 34a_100000212063_100011219619 [0,2,0,0,0,0|0,0,0]=2 20534 B15R1.4039 CCc1cc(ccc1Cl)OCC(O)CO 7a_100000212063_100011219619 [0,2,0,0,0,0|0,0,0]=2 20535 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](C)CC 34a_100000212063_100009816398 [0,2,0,0,0,0|2,0,0]=4 20536 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](C)CC 7a_100000212063_100009816398 [0,2,0,0,0,0|2,0,0]=4 20537 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](C)CO 34a_100000212063_100000059175 [0,2,0,0,0,0|1,0,0]=3 20538 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](C)CO 7a_100000212063_100000059175 [0,2,0,0,0,0|1,0,0]=3 20539 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](O)CF 34a_100000212063_100015614560 [0,2,0,0,0,0|1,0,0]=3 20540 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](O)CF 7a_100000212063_100015614560 [0,2,0,0,0,0|1,0,0]=3 20541 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](O)CO 34a_100000212063_100009815848 [0,2,0,0,0,0|0,0,0]=2 20542 B15R1.4039 CCc1cc(ccc1Cl)OC[C@@H](O)CO 7a_100000212063_100009815848 [0,2,0,0,0,0|0,0,0]=2 20543 B15R1.4039 CCc1cc(ccc1F)SCC(O)CO 62a_100010244625_100011219619 [0,2,0,0,0,0|0,2,0]=4 20544 B15R1.4039 CCc1cc(ccc1F)SCC(O)CO 62a_100011219619_100010244625 [0,2,0,0,0,0|0,2,0]=4 20545 B15R1.4039 CCc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100010244625 [0,2,0,0,0,0|0,2,0]=4 20546 B15R1.4039 CCc1cc(ccc1F)SC[C@@H](O)CO 62a_100010244625_100009815848 [0,2,0,0,0,0|0,2,0]=4 20547 B15R1.4039 CCc1cc(ccc1N)SCC(O)CO 62a_100000686106_100011219619 [0,2,0,0,0,0|1,1,0]=4 20548 B15R1.4039 CCc1cc(ccc1N)SCC(O)CO 62a_100011219619_100000686106 [0,2,0,0,0,0|1,1,0]=4 20549 B15R1.4039 CCc1cc(ccc1N)SC[C@@H](O)CO 62a_100000686106_100009815848 [0,2,0,0,0,0|1,1,0]=4 20550 B15R1.4039 CCc1cc(ccc1N)SC[C@@H](O)CO 62a_100009815848_100000686106 [0,2,0,0,0,0|1,1,0]=4 20551 B15R1.4039 CCc1cc(ccc1O)SCC(O)CO 62a_100011219619_100012338938 [0,2,0,0,0,0|1,1,0]=4 20552 B15R1.4039 CCc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100012338938 [0,2,0,0,0,0|1,1,0]=4 20553 B15R1.4039 CNc1cc(ccc1C)SCC(O)CO 62a_100011219619_100020629602 [0,2,0,0,0,0|1,1,0]=4 20554 B15R1.4039 CNc1cc(ccc1C)SCC(O)CO 62a_100020629602_100011219619 [0,2,0,0,0,0|1,1,0]=4 20555 B15R1.4039 CNc1cc(ccc1C)SC[C@@H](O)CO 62a_100009815848_100020629602 [0,2,0,0,0,0|1,1,0]=4 20556 B15R1.4039 CNc1cc(ccc1C)SC[C@@H](O)CO 62a_100020629602_100009815848 [0,2,0,0,0,0|1,1,0]=4 20557 B15R1.4039 CNc1cc(ccc1F)SCC(O)CO 62a_100011219619_100011314990 [0,2,0,0,0,0|0,2,0]=4 20558 B15R1.4039 CNc1cc(ccc1F)SCC(O)CO 62a_100011314990_100011219619 [0,2,0,0,0,0|0,2,0]=4 20559 B15R1.4039 CNc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100011314990 [0,2,0,0,0,0|0,2,0]=4 20560 B15R1.4039 CNc1cc(ccc1F)SC[C@@H](O)CO 62a_100011314990_100009815848 [0,2,0,0,0,0|0,2,0]=4 20561 B15R1.4039 CNc1cc(ccc1N)SCC(O)CO 62a_100000694363_100011219619 [0,2,0,0,0,0|1,1,0]=4 20562 B15R1.4039 CNc1cc(ccc1N)SC[C@@H](O)CO 62a_100000694363_100009815848 [0,2,0,0,0,0|1,1,0]=4 20563 B15R1.4039 COc1cc(ccc1Br)NCC(O)CO 2230a_100000765947_100011219619 [0,2,0,0,0,0|1,1,0]=4 20564 B15R1.4039 COc1cc(ccc1Br)NCC(O)CO 34a_100000765947_100011219619 [0,2,0,0,0,0|1,1,0]=4 20565 B15R1.4039 COc1cc(ccc1Br)NC[C@@H](O)CO 2230a_100000765947_100009815848 [0,2,0,0,0,0|1,1,0]=4 20566 B15R1.4039 COc1cc(ccc1Br)NC[C@@H](O)CO 34a_100000765947_100009815848 [0,2,0,0,0,0|1,1,0]=4 20567 B15R1.4039 COc1cc(ccc1Br)OCC(O)CO 34a_100011827694_100011219619 [0,2,0,0,0,0|0,1,0]=3 20568 B15R1.4039 COc1cc(ccc1Br)OCC(O)CO 7a_100011827694_100011219619 [0,2,0,0,0,0|0,1,0]=3 20569 B15R1.4039 COc1cc(ccc1Br)OC[C@@H](C)CO 34a_100011827694_100000059175 [0,2,0,0,0,0|1,1,0]=4 20570 B15R1.4039 COc1cc(ccc1Br)OC[C@@H](C)CO 7a_100011827694_100000059175 [0,2,0,0,0,0|1,1,0]=4 20571 B15R1.4039 COc1cc(ccc1Br)OC[C@@H](O)CF 34a_100011827694_100015614560 [0,2,0,0,0,0|1,1,0]=4 20572 B15R1.4039 COc1cc(ccc1Br)OC[C@@H](O)CF 7a_100011827694_100015614560 [0,2,0,0,0,0|1,1,0]=4 20573 B15R1.4039 COc1cc(ccc1Br)OC[C@@H](O)CO 34a_100011827694_100009815848 [0,2,0,0,0,0|0,1,0]=3 20574 B15R1.4039 COc1cc(ccc1Br)OC[C@@H](O)CO 7a_100011827694_100009815848 [0,2,0,0,0,0|0,1,0]=3 20575 B15R1.4039 COc1cc(ccc1Br)SCC(O)CO 62a_100011219619_100012353699 [0,2,0,0,0,0|0,2,0]=4 20576 B15R1.4039 COc1cc(ccc1Br)SCC(O)CO 62a_100012353699_100011219619 [0,2,0,0,0,0|0,2,0]=4 20577 B15R1.4039 COc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100012353699 [0,2,0,0,0,0|0,2,0]=4 20578 B15R1.4039 COc1cc(ccc1Br)SC[C@@H](O)CO 62a_100012353699_100009815848 [0,2,0,0,0,0|0,2,0]=4 20579 B15R1.4039 COc1cc(ccc1C)NCC(O)CO 2230a_100011279678_100011219619 [0,2,0,0,0,0|2,0,0]=4 20580 B15R1.4039 COc1cc(ccc1C)NCC(O)CO 34a_100011279678_100011219619 [0,2,0,0,0,0|2,0,0]=4 20581 B15R1.4039 COc1cc(ccc1C)NC[C@@H](O)CO 2230a_100011279678_100009815848 [0,2,0,0,0,0|2,0,0]=4 20582 B15R1.4039 COc1cc(ccc1C)NC[C@@H](O)CO 34a_100011279678_100009815848 [0,2,0,0,0,0|2,0,0]=4 20583 B15R1.4039 COc1cc(ccc1C)OCC(O)CO 34a_100009865632_100011219619 [0,2,0,0,0,0|1,0,0]=3 20584 B15R1.4039 COc1cc(ccc1C)OCC(O)CO 7a_100009865632_100011219619 [0,2,0,0,0,0|1,0,0]=3 20585 B15R1.4039 COc1cc(ccc1C)OC[C@@H](C)CO 34a_100009865632_100000059175 [0,2,0,0,0,0|2,0,0]=4 20586 B15R1.4039 COc1cc(ccc1C)OC[C@@H](C)CO 7a_100009865632_100000059175 [0,2,0,0,0,0|2,0,0]=4 20587 B15R1.4039 COc1cc(ccc1C)OC[C@@H](O)CF 34a_100009865632_100015614560 [0,2,0,0,0,0|2,0,0]=4 20588 B15R1.4039 COc1cc(ccc1C)OC[C@@H](O)CF 7a_100009865632_100015614560 [0,2,0,0,0,0|2,0,0]=4 20589 B15R1.4039 COc1cc(ccc1C)OC[C@@H](O)CO 34a_100009865632_100009815848 [0,2,0,0,0,0|1,0,0]=3 20590 B15R1.4039 COc1cc(ccc1C)OC[C@@H](O)CO 7a_100009865632_100009815848 [0,2,0,0,0,0|1,0,0]=3 20591 B15R1.4039 COc1cc(ccc1C)SCC(O)CO 62a_100011219619_100011830276 [0,2,0,0,0,0|1,1,0]=4 20592 B15R1.4039 COc1cc(ccc1C)SCC(O)CO 62a_100011830276_100011219619 [0,2,0,0,0,0|1,1,0]=4 20593 B15R1.4039 COc1cc(ccc1C)SC[C@@H](O)CO 62a_100009815848_100011830276 [0,2,0,0,0,0|1,1,0]=4 20594 B15R1.4039 COc1cc(ccc1C)SC[C@@H](O)CO 62a_100011830276_100009815848 [0,2,0,0,0,0|1,1,0]=4 20595 B15R1.4039 COc1cc(ccc1Cl)NCC(O)CO 2230a_100000742311_100011219619 [0,2,0,0,0,0|1,0,0]=3 20596 B15R1.4039 COc1cc(ccc1Cl)NCC(O)CO 34a_100000742311_100011219619 [0,2,0,0,0,0|1,0,0]=3 20597 B15R1.4039 COc1cc(ccc1Cl)NC[C@@H](C)CO 2230a_100000742311_100000059175 [0,2,0,0,0,0|2,0,0]=4 20598 B15R1.4039 COc1cc(ccc1Cl)NC[C@@H](C)CO 34a_100000742311_100000059175 [0,2,0,0,0,0|2,0,0]=4 20599 B15R1.4039 COc1cc(ccc1Cl)NC[C@@H](O)CF 2230a_100000742311_100015614560 [0,2,0,0,0,0|2,0,0]=4 20600 B15R1.4039 COc1cc(ccc1Cl)NC[C@@H](O)CF 34a_100000742311_100015614560 [0,2,0,0,0,0|2,0,0]=4 20601 B15R1.4039 COc1cc(ccc1Cl)NC[C@@H](O)CO 2230a_100000742311_100009815848 [0,2,0,0,0,0|1,0,0]=3 20602 B15R1.4039 COc1cc(ccc1Cl)NC[C@@H](O)CO 34a_100000742311_100009815848 [0,2,0,0,0,0|1,0,0]=3 20603 B15R1.4039 COc1cc(ccc1Cl)OCC(O)CO 34a_100012186310_100011219619 [0,2,0,0,0,0|0,0,0]=2 20604 B15R1.4039 COc1cc(ccc1Cl)OCC(O)CO 7a_100012186310_100011219619 [0,2,0,0,0,0|0,0,0]=2 20605 B15R1.4039 COc1cc(ccc1Cl)OC[C@@H](C)CO 34a_100012186310_100000059175 [0,2,0,0,0,0|1,0,0]=3 20606 B15R1.4039 COc1cc(ccc1Cl)OC[C@@H](C)CO 7a_100012186310_100000059175 [0,2,0,0,0,0|1,0,0]=3 20607 B15R1.4039 COc1cc(ccc1Cl)OC[C@@H](O)CF 34a_100012186310_100015614560 [0,2,0,0,0,0|1,0,0]=3 20608 B15R1.4039 COc1cc(ccc1Cl)OC[C@@H](O)CF 7a_100012186310_100015614560 [0,2,0,0,0,0|1,0,0]=3 20609 B15R1.4039 COc1cc(ccc1Cl)OC[C@@H](O)CO 34a_100012186310_100009815848 [0,2,0,0,0,0|0,0,0]=2 20610 B15R1.4039 COc1cc(ccc1Cl)OC[C@@H](O)CO 7a_100012186310_100009815848 [0,2,0,0,0,0|0,0,0]=2 20611 B15R1.4039 COc1cc(ccc1Cl)SCC(O)CO 62a_100011219619_100011356853 [0,2,0,0,0,0|0,1,0]=3 20612 B15R1.4039 COc1cc(ccc1Cl)SCC(O)CO 62a_100011356853_100011219619 [0,2,0,0,0,0|0,1,0]=3 20613 B15R1.4039 COc1cc(ccc1Cl)SC[C@@H](C)CO 62a_100000059175_100011356853 [0,2,0,0,0,0|1,1,0]=4 20614 B15R1.4039 COc1cc(ccc1Cl)SC[C@@H](C)CO 62a_100011356853_100000059175 [0,2,0,0,0,0|1,1,0]=4 20615 B15R1.4039 COc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100011356853_100015614560 [0,2,0,0,0,0|1,1,0]=4 20616 B15R1.4039 COc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100015614560_100011356853 [0,2,0,0,0,0|1,1,0]=4 20617 B15R1.4039 COc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100009815848_100011356853 [0,2,0,0,0,0|0,1,0]=3 20618 B15R1.4039 COc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100011356853_100009815848 [0,2,0,0,0,0|0,1,0]=3 20619 B15R1.4039 COc1cc(ccc1F)NCC(O)CO 2230a_100000701188_100011219619 [0,2,0,0,0,0|1,1,0]=4 20620 B15R1.4039 COc1cc(ccc1F)NCC(O)CO 34a_100000701188_100011219619 [0,2,0,0,0,0|1,1,0]=4 20621 B15R1.4039 COc1cc(ccc1F)NC[C@@H](O)CO 2230a_100000701188_100009815848 [0,2,0,0,0,0|1,1,0]=4 20622 B15R1.4039 COc1cc(ccc1F)NC[C@@H](O)CO 34a_100000701188_100009815848 [0,2,0,0,0,0|1,1,0]=4 20623 B15R1.4039 COc1cc(ccc1F)OCC(O)CO 34a_100012001760_100011219619 [0,2,0,0,0,0|0,1,0]=3 20624 B15R1.4039 COc1cc(ccc1F)OCC(O)CO 7a_100012001760_100011219619 [0,2,0,0,0,0|0,1,0]=3 20625 B15R1.4039 COc1cc(ccc1F)OC[C@@H](C)CO 34a_100012001760_100000059175 [0,2,0,0,0,0|1,1,0]=4 20626 B15R1.4039 COc1cc(ccc1F)OC[C@@H](C)CO 7a_100012001760_100000059175 [0,2,0,0,0,0|1,1,0]=4 20627 B15R1.4039 COc1cc(ccc1F)OC[C@@H](O)CF 34a_100012001760_100015614560 [0,2,0,0,0,0|1,1,0]=4 20628 B15R1.4039 COc1cc(ccc1F)OC[C@@H](O)CF 7a_100012001760_100015614560 [0,2,0,0,0,0|1,1,0]=4 20629 B15R1.4039 COc1cc(ccc1F)OC[C@@H](O)CO 34a_100012001760_100009815848 [0,2,0,0,0,0|0,1,0]=3 20630 B15R1.4039 COc1cc(ccc1F)OC[C@@H](O)CO 7a_100012001760_100009815848 [0,2,0,0,0,0|0,1,0]=3 20631 B15R1.4039 COc1cc(ccc1F)SCC(O)CO 62a_100011219619_100011934186 [0,2,0,0,0,0|0,2,0]=4 20632 B15R1.4039 COc1cc(ccc1F)SCC(O)CO 62a_100011934186_100011219619 [0,2,0,0,0,0|0,2,0]=4 20633 B15R1.4039 COc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100011934186 [0,2,0,0,0,0|0,2,0]=4 20634 B15R1.4039 COc1cc(ccc1F)SC[C@@H](O)CO 62a_100011934186_100009815848 [0,2,0,0,0,0|0,2,0]=4 20635 B15R1.4039 COc1cc(ccc1I)NCC(O)CO 34a_100000746945_100011219619 [0,2,0,0,0,0|1,1,0]=4 20636 B15R1.4039 COc1cc(ccc1I)NC[C@@H](O)CO 34a_100000746945_100009815848 [0,2,0,0,0,0|1,1,0]=4 20637 B15R1.4039 COc1cc(ccc1N)OCC(O)CO 34a_100015326901_100011219619 [0,2,0,0,0,0|1,0,0]=3 20638 B15R1.4039 COc1cc(ccc1N)OCC(O)CO 7a_100015326901_100011219619 [0,2,0,0,0,0|1,0,0]=3 20639 B15R1.4039 COc1cc(ccc1N)OC[C@@H](C)CO 34a_100015326901_100000059175 [0,2,0,0,0,0|2,0,0]=4 20640 B15R1.4039 COc1cc(ccc1N)OC[C@@H](C)CO 7a_100015326901_100000059175 [0,2,0,0,0,0|2,0,0]=4 20641 B15R1.4039 COc1cc(ccc1N)OC[C@@H](O)CF 34a_100015326901_100015614560 [0,2,0,0,0,0|2,0,0]=4 20642 B15R1.4039 COc1cc(ccc1N)OC[C@@H](O)CF 7a_100015326901_100015614560 [0,2,0,0,0,0|2,0,0]=4 20643 B15R1.4039 COc1cc(ccc1N)OC[C@@H](O)CO 34a_100015326901_100009815848 [0,2,0,0,0,0|1,0,0]=3 20644 B15R1.4039 COc1cc(ccc1N)OC[C@@H](O)CO 7a_100015326901_100009815848 [0,2,0,0,0,0|1,0,0]=3 20645 B15R1.4039 COc1cc(ccc1N)SCC(O)CO 62a_100011219619_100015196925 [0,2,0,0,0,0|1,1,0]=4 20646 B15R1.4039 COc1cc(ccc1N)SCC(O)CO 62a_100011279103_100011219619 [0,2,0,0,0,0|1,1,0]=4 20647 B15R1.4039 COc1cc(ccc1N)SC[C@@H](O)CO 62a_100009815848_100015196925 [0,2,0,0,0,0|1,1,0]=4 20648 B15R1.4039 COc1cc(ccc1N)SC[C@@H](O)CO 62a_100011279103_100009815848 [0,2,0,0,0,0|1,1,0]=4 20649 B15R1.4039 COc1cc(ccc1O)NCC(O)CO 34a_100000726020_100011219619 [0,2,0,0,0,0|2,0,0]=4 20650 B15R1.4039 COc1cc(ccc1O)NC[C@@H](O)CO 34a_100000726020_100009815848 [0,2,0,0,0,0|2,0,0]=4 20651 B15R1.4039 COc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000694246 [0,2,0,0,0,0|1,1,0]=4 20652 B15R1.4039 COc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000694246 [0,2,0,0,0,0|1,1,0]=4 20653 B15R1.4039 CSc1cc(ccc1F)SCC(O)CO 62a_100010341305_100011219619 [0,2,0,0,0,0|0,2,0]=4 20654 B15R1.4039 CSc1cc(ccc1F)SCC(O)CO 62a_100011219619_100010341305 [0,2,0,0,0,0|0,2,0]=4 20655 B15R1.4039 CSc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100010341305 [0,2,0,0,0,0|0,2,0]=4 20656 B15R1.4039 CSc1cc(ccc1F)SC[C@@H](O)CO 62a_100010341305_100009815848 [0,2,0,0,0,0|0,2,0]=4 20657 B15R1.4039 C[C@@H](CO)CNc1ccc(c(c1)C#N)Cl 34a_100000239497_100000059175 [0,2,0,0,0,0|2,0,0]=4 20658 B15R1.4039 C[C@@H](CO)CNc1ccc(c(c1)C#N)Cl 7a_100000239497_100000059175 [0,2,0,0,0,0|2,0,0]=4 20659 B15R1.4039 C[C@@H](CO)CNc1ccc(c(c1)CO)Cl 2230a_100011273577_100000059175 [0,2,0,0,0,0|2,0,0]=4 20660 B15R1.4039 C[C@@H](CO)CNc1ccc(c(c1)CO)Cl 34a_100011273577_100000059175 [0,2,0,0,0,0|2,0,0]=4 20661 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)Br 34a_100009818209_100000059175 [0,2,0,0,0,0|1,1,0]=4 20662 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)Br 7a_100009818209_100000059175 [0,2,0,0,0,0|1,1,0]=4 20663 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)Cl 34a_100000092820_100000059175 [0,2,0,0,0,0|1,0,0]=3 20664 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)Cl 7a_100000092820_100000059175 [0,2,0,0,0,0|1,0,0]=3 20665 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)F 34a_100000070142_100000059175 [0,2,0,0,0,0|1,1,0]=4 20666 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)F 7a_100000070142_100000059175 [0,2,0,0,0,0|1,1,0]=4 20667 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)N 34a_200011997737_100000059175 [0,2,0,0,0,0|2,0,0]=4 20668 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)C#N)N 7a_200011997737_100000059175 [0,2,0,0,0,0|2,0,0]=4 20669 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)CO)Br 34a_100012351483_100000059175 [0,2,0,0,0,0|1,1,0]=4 20670 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)CO)Br 7a_100012351483_100000059175 [0,2,0,0,0,0|1,1,0]=4 20671 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)CO)Cl 34a_100000091669_100000059175 [0,2,0,0,0,0|1,0,0]=3 20672 B15R1.4039 C[C@@H](CO)COc1ccc(c(c1)CO)Cl 7a_100000091669_100000059175 [0,2,0,0,0,0|1,0,0]=3 20673 B15R1.4039 C[C@@H](CO)CSc1ccc(c(c1)C#N)Cl 62a_100000059175_100011356831 [0,2,0,0,0,0|1,1,0]=4 20674 B15R1.4039 C[C@@H](CO)CSc1ccc(c(c1)C=O)Cl 62a_100000059175_100010254384 [0,2,0,0,0,0|1,1,0]=4 20675 B15R1.4039 C[C@@H](CO)CSc1ccc(c(c1)C=O)Cl 62a_100010254384_100000059175 [0,2,0,0,0,0|1,1,0]=4 20676 B15R1.4039 C[C@@H](CO)CSc1ccc(c(c1)CO)Cl 62a_100000059175_100010128486 [0,2,0,0,0,0|1,1,0]=4 20677 B15R1.4039 C[C@@H](CO)CSc1ccc(c(c1)CO)Cl 62a_100010128486_100000059175 [0,2,0,0,0,0|1,1,0]=4 20678 B15R1.4039 Cc1ccc(cc1C#N)NCC(O)CO 34a_100011216687_100011219619 [0,2,0,0,0,0|2,0,0]=4 20679 B15R1.4039 Cc1ccc(cc1C#N)NCC(O)CO 7a_100011216687_100011219619 [0,2,0,0,0,0|2,0,0]=4 20680 B15R1.4039 Cc1ccc(cc1C#N)NC[C@@H](O)CO 34a_100011216687_100009815848 [0,2,0,0,0,0|2,0,0]=4 20681 B15R1.4039 Cc1ccc(cc1C#N)NC[C@@H](O)CO 7a_100011216687_100009815848 [0,2,0,0,0,0|2,0,0]=4 20682 B15R1.4039 Cc1ccc(cc1C#N)SCC(O)CO 62a_100011219619_100011356939 [0,2,0,0,0,0|1,1,0]=4 20683 B15R1.4039 Cc1ccc(cc1C#N)SC[C@@H](O)CO 62a_100009815848_100011356939 [0,2,0,0,0,0|1,1,0]=4 20684 B15R1.4039 Cc1ccc(cc1C=O)SCC(O)CO 62a_100011219619_100011361606 [0,2,0,0,0,0|1,1,0]=4 20685 B15R1.4039 Cc1ccc(cc1C=O)SCC(O)CO 62a_100011361606_100011219619 [0,2,0,0,0,0|1,1,0]=4 20686 B15R1.4039 Cc1ccc(cc1C=O)SC[C@@H](O)CO 62a_100009815848_100011361606 [0,2,0,0,0,0|1,1,0]=4 20687 B15R1.4039 Cc1ccc(cc1C=O)SC[C@@H](O)CO 62a_100011361606_100009815848 [0,2,0,0,0,0|1,1,0]=4 20688 B15R1.4039 Cc1ccc(cc1CN)OCC(O)CO 34a_200009844824_100011219619 [0,2,0,0,0,0|1,0,0]=3 20689 B15R1.4039 Cc1ccc(cc1CN)OC[C@@H](C)CO 34a_200009844824_100000059175 [0,2,0,0,0,0|2,0,0]=4 20690 B15R1.4039 Cc1ccc(cc1CN)OC[C@@H](O)CF 34a_200009844824_100015614560 [0,2,0,0,0,0|2,0,0]=4 20691 B15R1.4039 Cc1ccc(cc1CN)OC[C@@H](O)CO 34a_200009844824_100009815848 [0,2,0,0,0,0|1,0,0]=3 20692 B15R1.4039 Cc1ccc(cc1CO)OCC(O)CO 34a_100009878257_100011219619 [0,2,0,0,0,0|1,0,0]=3 20693 B15R1.4039 Cc1ccc(cc1CO)OCC(O)CO 7a_100009878257_100011219619 [0,2,0,0,0,0|1,0,0]=3 20694 B15R1.4039 Cc1ccc(cc1CO)OC[C@@H](C)CO 34a_100009878257_100000059175 [0,2,0,0,0,0|2,0,0]=4 20695 B15R1.4039 Cc1ccc(cc1CO)OC[C@@H](C)CO 7a_100009878257_100000059175 [0,2,0,0,0,0|2,0,0]=4 20696 B15R1.4039 Cc1ccc(cc1CO)OC[C@@H](O)CF 34a_100009878257_100015614560 [0,2,0,0,0,0|2,0,0]=4 20697 B15R1.4039 Cc1ccc(cc1CO)OC[C@@H](O)CF 7a_100009878257_100015614560 [0,2,0,0,0,0|2,0,0]=4 20698 B15R1.4039 Cc1ccc(cc1CO)OC[C@@H](O)CO 34a_100009878257_100009815848 [0,2,0,0,0,0|1,0,0]=3 20699 B15R1.4039 Cc1ccc(cc1CO)OC[C@@H](O)CO 7a_100009878257_100009815848 [0,2,0,0,0,0|1,0,0]=3 20700 B15R1.4039 Cc1ccc(cc1CO)SCC(O)CO 62a_100000700630_100011219619 [0,2,0,0,0,0|1,1,0]=4 20701 B15R1.4039 Cc1ccc(cc1CO)SCC(O)CO 62a_100011219619_100000700630 [0,2,0,0,0,0|1,1,0]=4 20702 B15R1.4039 Cc1ccc(cc1CO)SC[C@@H](O)CO 62a_100000700630_100009815848 [0,2,0,0,0,0|1,1,0]=4 20703 B15R1.4039 Cc1ccc(cc1CO)SC[C@@H](O)CO 62a_100009815848_100000700630 [0,2,0,0,0,0|1,1,0]=4 20704 B15R1.4039 N#Cc1cc(ccc1Br)NCC(O)CO 34a_100011934039_100011219619 [0,2,0,0,0,0|1,1,0]=4 20705 B15R1.4039 N#Cc1cc(ccc1Br)NCC(O)CO 7a_100011934039_100011219619 [0,2,0,0,0,0|1,1,0]=4 20706 B15R1.4039 N#Cc1cc(ccc1Br)NC[C@@H](O)CO 34a_100011934039_100009815848 [0,2,0,0,0,0|1,1,0]=4 20707 B15R1.4039 N#Cc1cc(ccc1Br)NC[C@@H](O)CO 7a_100011934039_100009815848 [0,2,0,0,0,0|1,1,0]=4 20708 B15R1.4039 N#Cc1cc(ccc1Br)OCC(O)CO 34a_100009818209_100011219619 [0,2,0,0,0,0|0,1,0]=3 20709 B15R1.4039 N#Cc1cc(ccc1Br)OCC(O)CO 7a_100009818209_100011219619 [0,2,0,0,0,0|0,1,0]=3 20710 B15R1.4039 N#Cc1cc(ccc1Br)OC[C@@H](O)CF 34a_100009818209_100015614560 [0,2,0,0,0,0|1,1,0]=4 20711 B15R1.4039 N#Cc1cc(ccc1Br)OC[C@@H](O)CF 7a_100009818209_100015614560 [0,2,0,0,0,0|1,1,0]=4 20712 B15R1.4039 N#Cc1cc(ccc1Br)OC[C@@H](O)CO 34a_100009818209_100009815848 [0,2,0,0,0,0|0,1,0]=3 20713 B15R1.4039 N#Cc1cc(ccc1Br)OC[C@@H](O)CO 7a_100009818209_100009815848 [0,2,0,0,0,0|0,1,0]=3 20714 B15R1.4039 N#Cc1cc(ccc1Br)SCC(O)CO 62a_100011219619_100012355174 [0,2,0,0,0,0|0,2,0]=4 20715 B15R1.4039 N#Cc1cc(ccc1Br)SCC(O)CO 62a_100012355174_100011219619 [0,2,0,0,0,0|0,2,0]=4 20716 B15R1.4039 N#Cc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100012355174 [0,2,0,0,0,0|0,2,0]=4 20717 B15R1.4039 N#Cc1cc(ccc1Br)SC[C@@H](O)CO 62a_100012355174_100009815848 [0,2,0,0,0,0|0,2,0]=4 20718 B15R1.4039 N#Cc1cc(ccc1Cl)NCC(O)CO 34a_100000239497_100011219619 [0,2,0,0,0,0|1,0,0]=3 20719 B15R1.4039 N#Cc1cc(ccc1Cl)NCC(O)CO 7a_100000239497_100011219619 [0,2,0,0,0,0|1,0,0]=3 20720 B15R1.4039 N#Cc1cc(ccc1Cl)NC[C@@H](O)CF 34a_100000239497_100015614560 [0,2,0,0,0,0|2,0,0]=4 20721 B15R1.4039 N#Cc1cc(ccc1Cl)NC[C@@H](O)CF 7a_100000239497_100015614560 [0,2,0,0,0,0|2,0,0]=4 20722 B15R1.4039 N#Cc1cc(ccc1Cl)NC[C@@H](O)CO 34a_100000239497_100009815848 [0,2,0,0,0,0|1,0,0]=3 20723 B15R1.4039 N#Cc1cc(ccc1Cl)NC[C@@H](O)CO 7a_100000239497_100009815848 [0,2,0,0,0,0|1,0,0]=3 20724 B15R1.4039 N#Cc1cc(ccc1Cl)OCC(O)CO 34a_100000092820_100011219619 [0,2,0,0,0,0|0,0,0]=2 20725 B15R1.4039 N#Cc1cc(ccc1Cl)OCC(O)CO 7a_100000092820_100011219619 [0,2,0,0,0,0|0,0,0]=2 20726 B15R1.4039 N#Cc1cc(ccc1Cl)OC[C@@H](O)CF 34a_100000092820_100015614560 [0,2,0,0,0,0|1,0,0]=3 20727 B15R1.4039 N#Cc1cc(ccc1Cl)OC[C@@H](O)CF 7a_100000092820_100015614560 [0,2,0,0,0,0|1,0,0]=3 20728 B15R1.4039 N#Cc1cc(ccc1Cl)OC[C@@H](O)CO 34a_100000092820_100009815848 [0,2,0,0,0,0|0,0,0]=2 20729 B15R1.4039 N#Cc1cc(ccc1Cl)OC[C@@H](O)CO 7a_100000092820_100009815848 [0,2,0,0,0,0|0,0,0]=2 20730 B15R1.4039 N#Cc1cc(ccc1Cl)SCC(O)CO 62a_100011219619_100011356831 [0,2,0,0,0,0|0,1,0]=3 20731 B15R1.4039 N#Cc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100015614560_100011356831 [0,2,0,0,0,0|1,1,0]=4 20732 B15R1.4039 N#Cc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100009815848_100011356831 [0,2,0,0,0,0|0,1,0]=3 20733 B15R1.4039 N#Cc1cc(ccc1F)NCC(O)CO 34a_100000748589_100011219619 [0,2,0,0,0,0|1,1,0]=4 20734 B15R1.4039 N#Cc1cc(ccc1F)NCC(O)CO 7a_100000748589_100011219619 [0,2,0,0,0,0|1,1,0]=4 20735 B15R1.4039 N#Cc1cc(ccc1F)NC[C@@H](O)CO 34a_100000748589_100009815848 [0,2,0,0,0,0|1,1,0]=4 20736 B15R1.4039 N#Cc1cc(ccc1F)NC[C@@H](O)CO 7a_100000748589_100009815848 [0,2,0,0,0,0|1,1,0]=4 20737 B15R1.4039 N#Cc1cc(ccc1F)OCC(O)CO 34a_100000070142_100011219619 [0,2,0,0,0,0|0,1,0]=3 20738 B15R1.4039 N#Cc1cc(ccc1F)OCC(O)CO 7a_100000070142_100011219619 [0,2,0,0,0,0|0,1,0]=3 20739 B15R1.4039 N#Cc1cc(ccc1F)OC[C@@H](O)CF 34a_100000070142_100015614560 [0,2,0,0,0,0|1,1,0]=4 20740 B15R1.4039 N#Cc1cc(ccc1F)OC[C@@H](O)CF 7a_100000070142_100015614560 [0,2,0,0,0,0|1,1,0]=4 20741 B15R1.4039 N#Cc1cc(ccc1F)OC[C@@H](O)CO 34a_100000070142_100009815848 [0,2,0,0,0,0|0,1,0]=3 20742 B15R1.4039 N#Cc1cc(ccc1F)OC[C@@H](O)CO 7a_100000070142_100009815848 [0,2,0,0,0,0|0,1,0]=3 20743 B15R1.4039 N#Cc1cc(ccc1F)SCC(O)CO 62a_100011219619_100000037165 [0,2,0,0,0,0|0,2,0]=4 20744 B15R1.4039 N#Cc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100000037165 [0,2,0,0,0,0|0,2,0]=4 20745 B15R1.4039 N#Cc1cc(ccc1N)OCC(O)CO 34a_200011997737_100011219619 [0,2,0,0,0,0|1,0,0]=3 20746 B15R1.4039 N#Cc1cc(ccc1N)OCC(O)CO 7a_200011997737_100011219619 [0,2,0,0,0,0|1,0,0]=3 20747 B15R1.4039 N#Cc1cc(ccc1N)OC[C@@H](O)CF 34a_200011997737_100015614560 [0,2,0,0,0,0|2,0,0]=4 20748 B15R1.4039 N#Cc1cc(ccc1N)OC[C@@H](O)CF 7a_200011997737_100015614560 [0,2,0,0,0,0|2,0,0]=4 20749 B15R1.4039 N#Cc1cc(ccc1N)OC[C@@H](O)CO 34a_200011997737_100009815848 [0,2,0,0,0,0|1,0,0]=3 20750 B15R1.4039 N#Cc1cc(ccc1N)OC[C@@H](O)CO 7a_200011997737_100009815848 [0,2,0,0,0,0|1,0,0]=3 20751 B15R1.4039 N#Cc1cc(ccc1N)SCC(O)CO 62a_100011219619_100000688460 [0,2,0,0,0,0|1,1,0]=4 20752 B15R1.4039 N#Cc1cc(ccc1N)SC[C@@H](O)CO 62a_100009815848_100000688460 [0,2,0,0,0,0|1,1,0]=4 20753 B15R1.4039 N#Cc1cc(ccc1O)NCC(O)CO 34a_100011249283_100011219619 [0,2,0,0,0,0|2,0,0]=4 20754 B15R1.4039 N#Cc1cc(ccc1O)NC[C@@H](O)CO 34a_100011249283_100009815848 [0,2,0,0,0,0|2,0,0]=4 20755 B15R1.4039 N#Cc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000687585 [0,2,0,0,0,0|1,1,0]=4 20756 B15R1.4039 N#Cc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000687585 [0,2,0,0,0,0|1,1,0]=4 20757 B15R1.4039 N#Cc1cc(cnc1Cl)SCC(O)CO 62a_100011219619_100012357031 [0,2,0,0,0,0|1,1,0]=4 20758 B15R1.4039 N#Cc1cc(cnc1Cl)SC[C@@H](O)CO 62a_100009815848_100012357031 [0,2,0,0,0,0|1,1,0]=4 20759 B15R1.4039 NCc1cc(ccc1F)SCC(O)CO 62a_100009815772_100011219619 [0,2,0,0,0,0|0,2,0]=4 20760 B15R1.4039 NCc1cc(ccc1F)SCC(O)CO 62a_100011219619_100009815772 [0,2,0,0,0,0|0,2,0]=4 20761 B15R1.4039 NCc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815772_100009815848 [0,2,0,0,0,0|0,2,0]=4 20762 B15R1.4039 NCc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100009815772 [0,2,0,0,0,0|0,2,0]=4 20763 B15R1.4039 NCc1cc(ccc1N)SCC(O)CO 62a_100011219619_100012349119 [0,2,0,0,0,0|1,1,0]=4 20764 B15R1.4039 NCc1cc(ccc1N)SCC(O)CO 62a_100012349119_100011219619 [0,2,0,0,0,0|1,1,0]=4 20765 B15R1.4039 NCc1cc(ccc1N)SC[C@@H](O)CO 62a_100009815848_100012349119 [0,2,0,0,0,0|1,1,0]=4 20766 B15R1.4039 NCc1cc(ccc1N)SC[C@@H](O)CO 62a_100012349119_100009815848 [0,2,0,0,0,0|1,1,0]=4 20767 B15R1.4039 NCc1cc(ccc1O)SCC(O)CO 62a_100000730032_100011219619 [0,2,0,0,0,0|1,1,0]=4 20768 B15R1.4039 NCc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000730032 [0,2,0,0,0,0|1,1,0]=4 20769 B15R1.4039 NCc1cc(ccc1O)SC[C@@H](O)CO 62a_100000730032_100009815848 [0,2,0,0,0,0|1,1,0]=4 20770 B15R1.4039 NCc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000730032 [0,2,0,0,0,0|1,1,0]=4 20771 B15R1.4039 NNc1cc(ccc1F)SCC(O)CO 62a_100011219619_100020610843 [0,2,0,0,0,0|0,2,0]=4 20772 B15R1.4039 NNc1cc(ccc1F)SCC(O)CO 62a_100020610843_100011219619 [0,2,0,0,0,0|0,2,0]=4 20773 B15R1.4039 NNc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100020610843 [0,2,0,0,0,0|0,2,0]=4 20774 B15R1.4039 NNc1cc(ccc1F)SC[C@@H](O)CO 62a_100020610843_100009815848 [0,2,0,0,0,0|0,2,0]=4 20775 B15R1.4039 Nc1ccc(cc1C=O)SCC(O)CO 62a_100011935258_100011219619 [0,2,0,0,0,0|1,1,0]=4 20776 B15R1.4039 Nc1ccc(cc1C=O)SC[C@@H](O)CO 62a_100011935258_100009815848 [0,2,0,0,0,0|1,1,0]=4 20777 B15R1.4039 Nc1ccc(cc1CO)SCC(O)CO 62a_100011219619_100012353972 [0,2,0,0,0,0|1,1,0]=4 20778 B15R1.4039 Nc1ccc(cc1CO)SCC(O)CO 62a_100012353972_100011219619 [0,2,0,0,0,0|1,1,0]=4 20779 B15R1.4039 Nc1ccc(cc1CO)SC[C@@H](O)CO 62a_100009815848_100012353972 [0,2,0,0,0,0|1,1,0]=4 20780 B15R1.4039 Nc1ccc(cc1CO)SC[C@@H](O)CO 62a_100012353972_100009815848 [0,2,0,0,0,0|1,1,0]=4 20781 B15R1.4039 O=Cc1cc(ccc1Br)SCC(O)CO 62a_100010185652_100011219619 [0,2,0,0,0,0|0,2,0]=4 20782 B15R1.4039 O=Cc1cc(ccc1Br)SCC(O)CO 62a_100011219619_100010185652 [0,2,0,0,0,0|0,2,0]=4 20783 B15R1.4039 O=Cc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100010185652 [0,2,0,0,0,0|0,2,0]=4 20784 B15R1.4039 O=Cc1cc(ccc1Br)SC[C@@H](O)CO 62a_100010185652_100009815848 [0,2,0,0,0,0|0,2,0]=4 20785 B15R1.4039 O=Cc1cc(ccc1Cl)SCC(O)CO 62a_100010254384_100011219619 [0,2,0,0,0,0|0,1,0]=3 20786 B15R1.4039 O=Cc1cc(ccc1Cl)SCC(O)CO 62a_100011219619_100010254384 [0,2,0,0,0,0|0,1,0]=3 20787 B15R1.4039 O=Cc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100010254384_100015614560 [0,2,0,0,0,0|1,1,0]=4 20788 B15R1.4039 O=Cc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100015614560_100010254384 [0,2,0,0,0,0|1,1,0]=4 20789 B15R1.4039 O=Cc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100009815848_100010254384 [0,2,0,0,0,0|0,1,0]=3 20790 B15R1.4039 O=Cc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100010254384_100009815848 [0,2,0,0,0,0|0,1,0]=3 20791 B15R1.4039 O=Cc1cc(ccc1F)SCC(O)CO 62a_100000050626_100011219619 [0,2,0,0,0,0|0,2,0]=4 20792 B15R1.4039 O=Cc1cc(ccc1F)SCC(O)CO 62a_100011219619_100000050626 [0,2,0,0,0,0|0,2,0]=4 20793 B15R1.4039 O=Cc1cc(ccc1F)SC[C@@H](O)CO 62a_100000050626_100009815848 [0,2,0,0,0,0|0,2,0]=4 20794 B15R1.4039 O=Cc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100000050626 [0,2,0,0,0,0|0,2,0]=4 20795 B15R1.4039 O=Cc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000186750 [0,2,0,0,0,0|1,1,0]=4 20796 B15R1.4039 O=Cc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000186750 [0,2,0,0,0,0|1,1,0]=4 20797 B15R1.4039 OCc1cc(ccc1Br)NCC(O)CO 2230a_100012347228_100011219619 [0,2,0,0,0,0|1,1,0]=4 20798 B15R1.4039 OCc1cc(ccc1Br)NCC(O)CO 34a_100012347228_100011219619 [0,2,0,0,0,0|1,1,0]=4 20799 B15R1.4039 OCc1cc(ccc1Br)NC[C@@H](O)CO 2230a_100012347228_100009815848 [0,2,0,0,0,0|1,1,0]=4 20800 B15R1.4039 OCc1cc(ccc1Br)NC[C@@H](O)CO 34a_100012347228_100009815848 [0,2,0,0,0,0|1,1,0]=4 20801 B15R1.4039 OCc1cc(ccc1Br)OCC(O)CO 34a_100012351483_100011219619 [0,2,0,0,0,0|0,1,0]=3 20802 B15R1.4039 OCc1cc(ccc1Br)OCC(O)CO 7a_100012351483_100011219619 [0,2,0,0,0,0|0,1,0]=3 20803 B15R1.4039 OCc1cc(ccc1Br)OC[C@@H](O)CF 34a_100012351483_100015614560 [0,2,0,0,0,0|1,1,0]=4 20804 B15R1.4039 OCc1cc(ccc1Br)OC[C@@H](O)CF 7a_100012351483_100015614560 [0,2,0,0,0,0|1,1,0]=4 20805 B15R1.4039 OCc1cc(ccc1Br)OC[C@@H](O)CO 34a_100012351483_100009815848 [0,2,0,0,0,0|0,1,0]=3 20806 B15R1.4039 OCc1cc(ccc1Br)OC[C@@H](O)CO 7a_100012351483_100009815848 [0,2,0,0,0,0|0,1,0]=3 20807 B15R1.4039 OCc1cc(ccc1Br)SCC(O)CO 62a_100011219619_100012359683 [0,2,0,0,0,0|0,2,0]=4 20808 B15R1.4039 OCc1cc(ccc1Br)SCC(O)CO 62a_100012359683_100011219619 [0,2,0,0,0,0|0,2,0]=4 20809 B15R1.4039 OCc1cc(ccc1Br)SC[C@@H](O)CO 62a_100009815848_100012359683 [0,2,0,0,0,0|0,2,0]=4 20810 B15R1.4039 OCc1cc(ccc1Br)SC[C@@H](O)CO 62a_100012359683_100009815848 [0,2,0,0,0,0|0,2,0]=4 20811 B15R1.4039 OCc1cc(ccc1Cl)NCC(O)CO 2230a_100011273577_100011219619 [0,2,0,0,0,0|1,0,0]=3 20812 B15R1.4039 OCc1cc(ccc1Cl)NCC(O)CO 34a_100011273577_100011219619 [0,2,0,0,0,0|1,0,0]=3 20813 B15R1.4039 OCc1cc(ccc1Cl)NC[C@@H](O)CF 2230a_100011273577_100015614560 [0,2,0,0,0,0|2,0,0]=4 20814 B15R1.4039 OCc1cc(ccc1Cl)NC[C@@H](O)CF 34a_100011273577_100015614560 [0,2,0,0,0,0|2,0,0]=4 20815 B15R1.4039 OCc1cc(ccc1Cl)NC[C@@H](O)CO 2230a_100011273577_100009815848 [0,2,0,0,0,0|1,0,0]=3 20816 B15R1.4039 OCc1cc(ccc1Cl)NC[C@@H](O)CO 34a_100011273577_100009815848 [0,2,0,0,0,0|1,0,0]=3 20817 B15R1.4039 OCc1cc(ccc1Cl)OCC(O)CO 34a_100000091669_100011219619 [0,2,0,0,0,0|0,0,0]=2 20818 B15R1.4039 OCc1cc(ccc1Cl)OCC(O)CO 7a_100000091669_100011219619 [0,2,0,0,0,0|0,0,0]=2 20819 B15R1.4039 OCc1cc(ccc1Cl)OC[C@@H](O)CF 34a_100000091669_100015614560 [0,2,0,0,0,0|1,0,0]=3 20820 B15R1.4039 OCc1cc(ccc1Cl)OC[C@@H](O)CF 7a_100000091669_100015614560 [0,2,0,0,0,0|1,0,0]=3 20821 B15R1.4039 OCc1cc(ccc1Cl)OC[C@@H](O)CO 34a_100000091669_100009815848 [0,2,0,0,0,0|0,0,0]=2 20822 B15R1.4039 OCc1cc(ccc1Cl)OC[C@@H](O)CO 7a_100000091669_100009815848 [0,2,0,0,0,0|0,0,0]=2 20823 B15R1.4039 OCc1cc(ccc1Cl)SCC(O)CO 62a_100010128486_100011219619 [0,2,0,0,0,0|0,1,0]=3 20824 B15R1.4039 OCc1cc(ccc1Cl)SCC(O)CO 62a_100011219619_100010128486 [0,2,0,0,0,0|0,1,0]=3 20825 B15R1.4039 OCc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100010128486_100015614560 [0,2,0,0,0,0|1,1,0]=4 20826 B15R1.4039 OCc1cc(ccc1Cl)SC[C@@H](O)CF 62a_100015614560_100010128486 [0,2,0,0,0,0|1,1,0]=4 20827 B15R1.4039 OCc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100009815848_100010128486 [0,2,0,0,0,0|0,1,0]=3 20828 B15R1.4039 OCc1cc(ccc1Cl)SC[C@@H](O)CO 62a_100010128486_100009815848 [0,2,0,0,0,0|0,1,0]=3 20829 B15R1.4039 OCc1cc(ccc1F)NCC(O)CO 34a_100011218011_100011219619 [0,2,0,0,0,0|1,1,0]=4 20830 B15R1.4039 OCc1cc(ccc1F)NC[C@@H](O)CO 34a_100011218011_100009815848 [0,2,0,0,0,0|1,1,0]=4 20831 B15R1.4039 OCc1cc(ccc1F)SCC(O)CO 62a_100000246282_100011219619 [0,2,0,0,0,0|0,2,0]=4 20832 B15R1.4039 OCc1cc(ccc1F)SCC(O)CO 62a_100011219619_100000246282 [0,2,0,0,0,0|0,2,0]=4 20833 B15R1.4039 OCc1cc(ccc1F)SC[C@@H](O)CO 62a_100000246282_100009815848 [0,2,0,0,0,0|0,2,0]=4 20834 B15R1.4039 OCc1cc(ccc1F)SC[C@@H](O)CO 62a_100009815848_100000246282 [0,2,0,0,0,0|0,2,0]=4 20835 B15R1.4039 OCc1cc(ccc1O)SCC(O)CO 62a_100000184703_100011219619 [0,2,0,0,0,0|1,1,0]=4 20836 B15R1.4039 OCc1cc(ccc1O)SCC(O)CO 62a_100011219619_100000184703 [0,2,0,0,0,0|1,1,0]=4 20837 B15R1.4039 OCc1cc(ccc1O)SC[C@@H](O)CO 62a_100000184703_100009815848 [0,2,0,0,0,0|1,1,0]=4 20838 B15R1.4039 OCc1cc(ccc1O)SC[C@@H](O)CO 62a_100009815848_100000184703 [0,2,0,0,0,0|1,1,0]=4 20839 B13R1.717 OCC(O)COCc1csc(c1)Cl 34a_100009863405_100011219619 [0,0,1,1,0,0|1,0,1]=4 20840 B13R1.717 OCC(O)COCc1csc(c1)Cl 7a_100009863405_100011219619 [0,0,1,1,0,0|1,0,1]=4 20841 B13R1.717 OC[C@H](O)COCc1csc(c1)Cl 34a_100009863405_100009815848 [0,0,1,1,0,0|1,0,1]=4 20842 B13R1.717 OC[C@H](O)COCc1csc(c1)Cl 7a_100009863405_100009815848 [0,0,1,1,0,0|1,0,1]=4 20843 B13R2.12 Clc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000755918 [1,0,0,1,0,0|2,0,0]=4 20844 B13R2.162 N[C@H]1CCOc2c1cc(cc2)O 271570a_203496583355_100020639276 [1,0,0,1,0,0|2,0,0]=4 20845 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [1,0,0,1,0,0|2,0,0]=4 20846 B13R2.162 Oc1ccc2c(c1)C(CCO2)O 271570a_203496583355_100000760992 [1,0,0,1,0,0|1,0,0]=3 20847 B13R2.527 Brc1ccc(cc1)NCC2CO2 2230a_100000210018_100011216344 [1,0,0,1,0,0|1,1,0]=4 20848 B13R2.527 Brc1ccc(cc1)NCC2CO2 34a_100000210018_102125554688 [1,0,0,1,0,0|1,1,0]=4 20849 B13R2.527 Brc1ccc(cc1)OCC2CC2 34a_100000185759_100000742324 [1,0,0,1,0,0|1,1,0]=4 20850 B13R2.527 Brc1ccc(cc1)OCC2CC2 7a_100000185759_100000742324 [1,0,0,1,0,0|1,1,0]=4 20851 B13R2.527 Brc1ccc(cc1)OCC2CO2 34a_100000185759_102125554688 [1,0,0,1,0,0|0,1,0]=3 20852 B13R2.527 Brc1ccc(cc1)OCC2CO2 7a_100000185759_102125554688 [1,0,0,1,0,0|0,1,0]=3 20853 B13R2.527 Brc1ccc(cc1)OCC2CS2 7a_100000185759_100000031435 [1,0,0,1,0,0|0,2,0]=4 20854 B13R2.527 Brc1ccc(cc1)OC[C@@H]2CO2 7a_100000185759_100000745022 [1,0,0,1,0,0|0,1,0]=3 20855 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_100000752885_102125554688 [1,0,0,1,0,0|0,2,0]=4 20856 B13R2.527 Brc1ccc(cc1)SCC2CO2 62a_102125554688_100000752885 [1,0,0,1,0,0|0,2,0]=4 20857 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000752885 [1,0,0,1,0,0|0,2,0]=4 20858 B13R2.527 Brc1ccc(cc1)SC[C@@H]2CO2 62a_100000752885_100000745022 [1,0,0,1,0,0|0,2,0]=4 20859 B13R2.527 Brc1ccc(cn1)OCC2CO2 34a_100000685995_102125554688 [1,0,0,1,0,0|1,1,0]=4 20860 B13R2.527 Brc1ccc(cn1)OCC2CO2 7a_100000685995_102125554688 [1,0,0,1,0,0|1,1,0]=4 20861 B13R2.527 Brc1ccc(cn1)OC[C@@H]2CO2 7a_100000685995_100000745022 [1,0,0,1,0,0|1,1,0]=4 20862 B13R2.527 Cc1ccc(cc1)NCC2CO2 34a_100000124888_102125554688 [1,0,0,1,0,0|2,0,0]=4 20863 B13R2.527 Cc1ccc(cc1)OCC2CC2 34a_100000210336_100000742324 [1,0,0,1,0,0|2,0,0]=4 20864 B13R2.527 Cc1ccc(cc1)OCC2CC2 7a_100000210336_100000742324 [1,0,0,1,0,0|2,0,0]=4 20865 B13R2.527 Cc1ccc(cc1)OCC2CO2 34a_100000210336_102125554688 [1,0,0,1,0,0|1,0,0]=3 20866 B13R2.527 Cc1ccc(cc1)OCC2CO2 7a_100000210336_102125554688 [1,0,0,1,0,0|1,0,0]=3 20867 B13R2.527 Cc1ccc(cc1)OCC2CS2 7a_100000210336_100000031435 [1,0,0,1,0,0|1,1,0]=4 20868 B13R2.527 Cc1ccc(cc1)OC[C@@H]2CO2 7a_100000210336_100000745022 [1,0,0,1,0,0|1,0,0]=3 20869 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_100000186775_102125554688 [1,0,0,1,0,0|1,1,0]=4 20870 B13R2.527 Cc1ccc(cc1)SCC2CO2 62a_102125554688_100000186775 [1,0,0,1,0,0|1,1,0]=4 20871 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000186775_100000745022 [1,0,0,1,0,0|1,1,0]=4 20872 B13R2.527 Cc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000186775 [1,0,0,1,0,0|1,1,0]=4 20873 B13R2.527 Cc1ccc(cn1)OCC2CO2 34a_100000745506_102125554688 [1,0,0,1,0,0|2,0,0]=4 20874 B13R2.527 Cc1ccc(cn1)OCC2CO2 7a_100000745506_102125554688 [1,0,0,1,0,0|2,0,0]=4 20875 B13R2.527 Cc1ccc(cn1)OC[C@@H]2CO2 7a_100000745506_100000745022 [1,0,0,1,0,0|2,0,0]=4 20876 B13R2.527 Cc1ccc(nc1)OCC2CO2 34a_100000759353_102125554688 [1,0,0,1,0,0|2,0,0]=4 20877 B13R2.527 Clc1ccc(cc1)NCC2CC2 2230a_100000210052_100000742324 [1,0,0,1,0,0|2,0,0]=4 20878 B13R2.527 Clc1ccc(cc1)NCC2CC2 34a_100000210052_100000742324 [1,0,0,1,0,0|2,0,0]=4 20879 B13R2.527 Clc1ccc(cc1)NCC2CO2 2230a_100000210052_100011216344 [1,0,0,1,0,0|1,0,0]=3 20880 B13R2.527 Clc1ccc(cc1)NCC2CO2 34a_100000210052_102125554688 [1,0,0,1,0,0|1,0,0]=3 20881 B13R2.527 Clc1ccc(cc1)OCC2CC2 34a_100000210216_100000742324 [1,0,0,1,0,0|1,0,0]=3 20882 B13R2.527 Clc1ccc(cc1)OCC2CC2 7a_100000210216_100000742324 [1,0,0,1,0,0|1,0,0]=3 20883 B13R2.527 Clc1ccc(cc1)OCC2CO2 34a_100000210216_102125554688 [1,0,0,1,0,0|0,0,0]=2 20884 B13R2.527 Clc1ccc(cc1)OCC2CO2 7a_100000210216_102125554688 [1,0,0,1,0,0|0,0,0]=2 20885 B13R2.527 Clc1ccc(cc1)OCC2CS2 7a_100000210216_100000031435 [1,0,0,1,0,0|0,1,0]=3 20886 B13R2.527 Clc1ccc(cc1)OC[C@@H]2CO2 7a_100000210216_100000745022 [1,0,0,1,0,0|0,0,0]=2 20887 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000755918_100000742324 [1,0,0,1,0,0|1,1,0]=4 20888 B13R2.527 Clc1ccc(cc1)SCC2CC2 62a_100000756562_100000755918 [1,0,0,1,0,0|1,1,0]=4 20889 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_100000755918_102125554688 [1,0,0,1,0,0|0,1,0]=3 20890 B13R2.527 Clc1ccc(cc1)SCC2CO2 62a_102125554688_100000755918 [1,0,0,1,0,0|0,1,0]=3 20891 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000031435_100000755918 [1,0,0,1,0,0|0,2,0]=4 20892 B13R2.527 Clc1ccc(cc1)SCC2CS2 62a_100000755918_100000031435 [1,0,0,1,0,0|0,2,0]=4 20893 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000755918 [1,0,0,1,0,0|0,1,0]=3 20894 B13R2.527 Clc1ccc(cc1)SC[C@@H]2CO2 62a_100000755918_100000745022 [1,0,0,1,0,0|0,1,0]=3 20895 B13R2.527 Clc1ccc(cn1)OCC2CC2 34a_100000744096_100000742324 [1,0,0,1,0,0|2,0,0]=4 20896 B13R2.527 Clc1ccc(cn1)OCC2CC2 7a_100000744096_100000742324 [1,0,0,1,0,0|2,0,0]=4 20897 B13R2.527 Clc1ccc(cn1)OCC2CO2 34a_100000744096_102125554688 [1,0,0,1,0,0|1,0,0]=3 20898 B13R2.527 Clc1ccc(cn1)OCC2CO2 7a_100000744096_102125554688 [1,0,0,1,0,0|1,0,0]=3 20899 B13R2.527 Clc1ccc(cn1)OCC2CS2 7a_100000744096_100000031435 [1,0,0,1,0,0|1,1,0]=4 20900 B13R2.527 Clc1ccc(cn1)OC[C@@H]2CO2 7a_100000744096_100000745022 [1,0,0,1,0,0|1,0,0]=3 20901 B13R2.527 Clc1ccc(cn1)SCC2CO2 62a_100000034144_102125554688 [1,0,0,1,0,0|1,1,0]=4 20902 B13R2.527 Clc1ccc(cn1)SCC2CO2 62a_102125554688_100000034144 [1,0,0,1,0,0|1,1,0]=4 20903 B13R2.527 Clc1ccc(cn1)SC[C@@H]2CO2 62a_100000034144_100000745022 [1,0,0,1,0,0|1,1,0]=4 20904 B13R2.527 Clc1ccc(cn1)SC[C@@H]2CO2 62a_100000745022_100000034144 [1,0,0,1,0,0|1,1,0]=4 20905 B13R2.527 Clc1ccc(nc1)OCC2CC2 34a_100011215309_100000742324 [1,0,0,1,0,0|2,0,0]=4 20906 B13R2.527 Clc1ccc(nc1)OCC2CO2 34a_100011215309_102125554688 [1,0,0,1,0,0|1,0,0]=3 20907 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_100011356976_102125554688 [1,0,0,1,0,0|1,1,0]=4 20908 B13R2.527 Clc1ccc(nc1)SCC2CO2 62a_102125554688_100011356976 [1,0,0,1,0,0|1,1,0]=4 20909 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011356976 [1,0,0,1,0,0|1,1,0]=4 20910 B13R2.527 Clc1ccc(nc1)SC[C@@H]2CO2 62a_100011356976_100000745022 [1,0,0,1,0,0|1,1,0]=4 20911 B13R2.527 Clc1cnc(cn1)OCC2CO2 34a_100015839800_102125554688 [1,0,0,1,0,0|2,0,0]=4 20912 B13R2.527 Clc1ncc(cn1)OCC2CO2 34a_100000092845_102125554688 [1,0,0,1,0,0|2,0,0]=4 20913 B13R2.527 Clc1ncc(cn1)OCC2CO2 7a_100000092845_102125554688 [1,0,0,1,0,0|2,0,0]=4 20914 B13R2.527 Clc1ncc(cn1)OC[C@@H]2CO2 7a_100000092845_100000745022 [1,0,0,1,0,0|2,0,0]=4 20915 B13R2.527 Fc1ccc(cc1)NCC2CO2 34a_100000185862_102125554688 [1,0,0,1,0,0|1,1,0]=4 20916 B13R2.527 Fc1ccc(cc1)OCC2CC2 34a_100000210339_100000742324 [1,0,0,1,0,0|1,1,0]=4 20917 B13R2.527 Fc1ccc(cc1)OCC2CO2 34a_100000210339_102125554688 [1,0,0,1,0,0|0,1,0]=3 20918 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_100000211213_102125554688 [1,0,0,1,0,0|0,2,0]=4 20919 B13R2.527 Fc1ccc(cc1)SCC2CO2 62a_102125554688_100000211213 [1,0,0,1,0,0|0,2,0]=4 20920 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000211213_100000745022 [1,0,0,1,0,0|0,2,0]=4 20921 B13R2.527 Fc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000211213 [1,0,0,1,0,0|0,2,0]=4 20922 B13R2.527 Fc1ccc(cn1)OCC2CO2 34a_100000688820_102125554688 [1,0,0,1,0,0|1,1,0]=4 20923 B13R2.527 Fc1ccc(cn1)OCC2CO2 7a_100000688820_102125554688 [1,0,0,1,0,0|1,1,0]=4 20924 B13R2.527 Fc1ccc(cn1)OC[C@@H]2CO2 7a_100000688820_100000745022 [1,0,0,1,0,0|1,1,0]=4 20925 B13R2.527 Fc1ccc(nc1)OCC2CO2 34a_100000742473_102125554688 [1,0,0,1,0,0|1,1,0]=4 20926 B13R2.527 Ic1ccc(cc1)NCC2CO2 34a_100000185761_102125554688 [1,0,0,1,0,0|1,1,0]=4 20927 B13R2.527 Ic1ccc(cc1)OCC2CC2 34a_100000212066_100000742324 [1,0,0,1,0,0|1,1,0]=4 20928 B13R2.527 Ic1ccc(cc1)OCC2CC2 7a_100000212066_100000742324 [1,0,0,1,0,0|1,1,0]=4 20929 B13R2.527 Ic1ccc(cc1)OCC2CO2 34a_100000212066_102125554688 [1,0,0,1,0,0|0,1,0]=3 20930 B13R2.527 Ic1ccc(cc1)OCC2CO2 7a_100000212066_102125554688 [1,0,0,1,0,0|0,1,0]=3 20931 B13R2.527 Ic1ccc(cc1)OCC2CS2 7a_100000212066_100000031435 [1,0,0,1,0,0|0,2,0]=4 20932 B13R2.527 Ic1ccc(cc1)OC[C@@H]2CO2 7a_100000212066_100000745022 [1,0,0,1,0,0|0,1,0]=3 20933 B13R2.527 Ic1ccc(cn1)OCC2CO2 34a_100000687607_102125554688 [1,0,0,1,0,0|1,1,0]=4 20934 B13R2.527 Ic1ccc(cn1)OCC2CO2 7a_100000687607_102125554688 [1,0,0,1,0,0|1,1,0]=4 20935 B13R2.527 Ic1ccc(cn1)OC[C@@H]2CO2 7a_100000687607_100000745022 [1,0,0,1,0,0|1,1,0]=4 20936 B13R2.527 Nc1ccc(cc1)OCC2CC2 34a_100000185829_100000742324 [1,0,0,1,0,0|2,0,0]=4 20937 B13R2.527 Nc1ccc(cc1)OCC2CO2 34a_100000185829_102125554688 [1,0,0,1,0,0|1,0,0]=3 20938 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_100000185761_102125554688 [1,0,0,1,0,0|1,1,0]=4 20939 B13R2.527 Nc1ccc(cc1)SCC2CO2 62a_102125554688_100000185761 [1,0,0,1,0,0|1,1,0]=4 20940 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000185761_100000745022 [1,0,0,1,0,0|1,1,0]=4 20941 B13R2.527 Nc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185761 [1,0,0,1,0,0|1,1,0]=4 20942 B13R2.527 Nc1ccc(cn1)OCC2CO2 34a_100015188713_102125554688 [1,0,0,1,0,0|2,0,0]=4 20943 B13R2.527 Nc1ccc(cn1)OCC2CO2 7a_100015188713_102125554688 [1,0,0,1,0,0|2,0,0]=4 20944 B13R2.527 Nc1ccc(cn1)OC[C@@H]2CO2 7a_100015188713_100000745022 [1,0,0,1,0,0|2,0,0]=4 20945 B13R2.527 Nc1ccc(nc1)OCC2CO2 34a_100000729260_102125554688 [1,0,0,1,0,0|2,0,0]=4 20946 B13R2.527 O=c1ccc(c[nH]1)OCC2CO2 34a_100000075641_102125554688 [1,0,0,1,0,0|2,0,0]=4 20947 B13R2.527 Oc1ccc(cc1)NCC2CO2 34a_100000185829_102125554688 [1,0,0,1,0,0|2,0,0]=4 20948 B13R2.527 Oc1ccc(cc1)OCC2CC2 271570a_203496583355_100011316336 [1,0,0,1,0,0|2,0,0]=4 20949 B13R2.527 Oc1ccc(cc1)SCC2CO2 62a_102125554688_100000185759 [1,0,0,1,0,0|1,1,0]=4 20950 B13R2.527 Oc1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000185759 [1,0,0,1,0,0|1,1,0]=4 20951 B13R2.1069 Brc1ccc(cc1)OC2CCC2 34a_100000185759_100000749161 [1,0,0,1,0,0|1,1,0]=4 20952 B13R2.1069 Cc1ccc(cc1)OC2CCC2 34a_100000210336_100000749161 [1,0,0,1,0,0|2,0,0]=4 20953 B13R2.1069 Clc1ccc(cc1)NC2CCC2 34a_100000210052_100000749161 [1,0,0,1,0,0|2,0,0]=4 20954 B13R2.1069 Clc1ccc(cc1)OC2CCC2 34a_100000210216_100000749161 [1,0,0,1,0,0|1,0,0]=3 20955 B13R2.1069 Clc1ccc(cc1)OC2COC2 34a_100000210216_100009818527 [1,0,0,1,0,0|2,0,0]=4 20956 B13R2.1069 Clc1ccc(cc1)OC2COC2 7a_100000210216_100009818527 [1,0,0,1,0,0|2,0,0]=4 20957 B13R2.1069 Clc1ccc(cc1)SC2CCC2 62a_100000755918_100000749161 [1,0,0,1,0,0|1,1,0]=4 20958 B13R2.1069 Clc1ccc(cn1)OC2CCC2 34a_100000744096_100000749161 [1,0,0,1,0,0|2,0,0]=4 20959 B13R2.1069 Clc1ccc(nc1)OC2CCC2 34a_100011215309_100000749161 [1,0,0,1,0,0|2,0,0]=4 20960 B13R2.1069 Fc1ccc(cc1)OC2CCC2 34a_100000210339_100000749161 [1,0,0,1,0,0|1,1,0]=4 20961 B13R2.1069 Ic1ccc(cc1)OC2CCC2 34a_100000212066_100000749161 [1,0,0,1,0,0|1,1,0]=4 20962 B13R2.1069 Nc1ccc(cc1)OC2CCC2 34a_100000185829_100000749161 [1,0,0,1,0,0|2,0,0]=4 20963 B13R2.2136 CNC1COc2c1cc(cc2)Cl 2230a_100000705955_200000210301 [1,0,0,1,0,0|2,0,0]=4 20964 B13R2.2136 [13CH3]NC1COc2c1cc(cc2)Cl 2230a_100000705955_200025704644 [1,0,0,1,0,0|2,0,0]=4 20965 B13R2.3729 Oc1ccc2c(c1)OCCCO2 271570a_203496583355_100000739260 [1,0,0,1,0,0|1,0,0]=3 20966 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [1,0,0,1,0,0|2,0,0]=4 20967 B13R2.155 CC1CNc2ccc(cc2O1)O 271570a_203496583355_200010108538 [1,0,0,1,0,0|2,0,0]=4 20968 B13R2.2383 c1cc(ccn1)OCC2CCO2 34a_100000212176_100000103362 [1,0,0,1,0,0|2,0,0]=4 20969 B13R2.2383 c1cc(ccn1)OCC2COC2 34a_100000212176_100010264016 [1,0,0,1,0,0|2,0,0]=4 20970 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [1,0,0,1,0,0|2,0,0]=4 20971 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [1,0,0,1,0,0|2,0,0]=4 20972 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [1,0,0,1,0,0|2,0,0]=4 20973 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [1,0,0,1,0,0|2,0,0]=4 20974 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [1,0,0,1,0,0|1,0,0]=3 20975 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [1,0,0,1,0,0|1,0,0]=3 20976 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [1,0,0,1,0,0|1,0,0]=3 20977 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [1,0,0,1,0,0|1,0,0]=3 20978 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [1,0,0,1,0,0|1,1,0]=4 20979 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [1,0,0,1,0,0|1,1,0]=4 20980 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [1,0,0,1,0,0|1,1,0]=4 20981 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [1,0,0,1,0,0|1,1,0]=4 20982 B13R2.2383 c1cncc(c1)OCC2CCO2 34a_100000210849_100000103362 [1,0,0,1,0,0|2,0,0]=4 20983 B13R2.2383 c1cncc(c1)OCC2CCO2 7a_100000210849_100000103362 [1,0,0,1,0,0|2,0,0]=4 20984 B13R2.2383 c1cncc(c1)OCC2COC2 34a_100000210849_100010264016 [1,0,0,1,0,0|2,0,0]=4 20985 B13R2.2383 c1cncc(c1)OCC2COC2 7a_100000210849_100010264016 [1,0,0,1,0,0|2,0,0]=4 20986 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [1,0,0,1,0,0|2,0,0]=4 20987 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [1,0,0,1,0,0|1,0,0]=3 20988 B13R2.3203 CC1(CO1)COc2cccnc2 34a_100000210849_100000760498 [1,0,0,1,0,0|2,0,0]=4 20989 B13R2.3203 CC1(CO1)COc2ccncc2 34a_100000212176_100000760498 [1,0,0,1,0,0|2,0,0]=4 20990 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [1,0,0,1,0,0|1,1,0]=4 20991 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [1,0,0,1,0,0|1,1,0]=4 20992 B15R2.3 OC1CC=C(CC1)c2ccc(cc2)Cl 271570a_100010254553_100000755918 [0,0,0,1,0,1|2,0,0]=4 20993 B15R2.98 OC1CCN(C1)Cc2ccc(cc2)Cl 2230a_100011215560_100000694040 [0,0,0,1,0,1|2,0,0]=4 20994 B15R2.98 OC1CCN(C1)Cc2ccc(cc2)Cl 269982a_100011215560_100000187161 [0,0,0,1,0,1|2,0,0]=4 20995 B15R2.98 OC1CCN(C1)Cc2ccc(cc2)Cl 270004a_100011215560_100000189385 [0,0,0,1,0,1|2,0,0]=4 20996 B15R2.126 OCC1CC(C1)Sc2ccc(cc2)Cl 62a_100000755918_100009874164 [0,0,0,1,0,1|1,1,0]=4 20997 B15R2.126 OCC1CC(C1)Sc2ccc(cc2)Cl 62a_100009874164_100000755918 [0,0,0,1,0,1|1,1,0]=4 20998 B15R2.126 OCC1CN(C1)Cc2ccc(cc2)Cl 269982a_100016987283_100000187161 [0,0,0,1,0,1|2,0,0]=4 20999 B15R2.126 OCC1CN(C1)Cc2ccc(cc2)Cl 34a_100016987283_100000694040 [0,0,0,1,0,1|2,0,0]=4 21000 B15R2.1548 CC1CC1COCc2ccc(cc2)Cl 34a_100000744939_100000694040 [0,0,0,1,0,1|2,0,0]=4 21001 B15R2.1548 CC1CC1COCc2ccc(cc2)Cl 7a_100000744939_100000187161 [0,0,0,1,0,1|2,0,0]=4 21002 B15R2.1554 CC1(CC1)COCc2ccc(cc2)Cl 7a_100000698024_100000187161 [0,0,0,1,0,1|2,0,0]=4 21003 B15R2.1554 CC1(CO1)CNCc2ccc(cc2)Cl 34a_100000174871_100000760498 [0,0,0,1,0,1|2,0,0]=4 21004 B15R2.1554 CC1(CO1)COCc2ccc(cc2)Br 34a_100000695286_100000760498 [0,0,0,1,0,1|1,1,0]=4 21005 B15R2.1554 CC1(CO1)COCc2ccc(cc2)Cl 34a_100000211118_100000760498 [0,0,0,1,0,1|1,0,0]=3 21006 B15R2.1554 CC1(CO1)COCc2ccc(cc2)F 34a_100000210977_100000760498 [0,0,0,1,0,1|1,1,0]=4 21007 B15R2.1554 CC1(CO1)COCc2ccc(cc2)I 34a_100000690907_100000760498 [0,0,0,1,0,1|1,1,0]=4 21008 B15R2.1554 CC1(CO1)COCc2ccc(cc2)N 34a_100011215238_100000760498 [0,0,0,1,0,1|2,0,0]=4 21009 B15R2.1554 CC1(CO1)COCc2ccc(cn2)Cl 34a_100000703999_100000760498 [0,0,0,1,0,1|2,0,0]=4 21010 B15R2.1554 CC1(CO1)COCc2ccc(nc2)Cl 34a_100000755211_100000760498 [0,0,0,1,0,1|2,0,0]=4 21011 B15R2.1554 CC1(CO1)CSCc2ccc(cc2)Cl 62a_100000187161_100000760498 [0,0,0,1,0,1|1,1,0]=4 21012 B15R2.1554 CC1(CO1)CSCc2ccc(cc2)Cl 62a_100000760498_100000187161 [0,0,0,1,0,1|1,1,0]=4 21013 B15R2.1554 Cc1ccc(cc1)COCC2(CO2)C 34a_100011215236_100000760498 [0,0,0,1,0,1|2,0,0]=4 21014 B15R2.1554 FC1(CC1)COCc2ccc(cc2)Cl 34a_200000703853_100000694040 [0,0,0,1,0,1|2,0,0]=4 21015 B15R2.1554 FC1(CC1)COCc2ccc(cc2)Cl 7a_200000703853_100000187161 [0,0,0,1,0,1|2,0,0]=4 21016 B15R2.1554 OC1(CC1)CNCc2ccc(cc2)Cl 207a_100011936951_100000189385 [0,0,0,1,0,1|2,0,0]=4 21017 B15R2.1554 OC1(CC1)CNCc2ccc(cc2)Cl 2230a_100011936951_100000694040 [0,0,0,1,0,1|2,0,0]=4 21018 B15R2.1554 OC1(CC1)CNCc2ccc(cc2)Cl 270004a_100011936951_100000189385 [0,0,0,1,0,1|2,0,0]=4 21019 B15R2.19015 C[C@H]1[C@H](CN1Cc2ccc(cc2)Cl)O 2230a_206633788156_100000694040 [0,0,0,1,0,1|2,0,0]=4 21020 B15R2.19015 C[C@H]1[C@H](CN1Cc2ccc(cc2)Cl)O 269982a_206633788156_100000187161 [0,0,0,1,0,1|2,0,0]=4 21021 B15R2.19015 C[C@H]1[C@H](CN1Cc2ccc(cc2)Cl)O 270004a_206633788156_100000189385 [0,0,0,1,0,1|2,0,0]=4 21022 B15R2.19027 Brc1ccc(cc1)COCC2CCO2 34a_100000039022_100000189115 [0,0,0,1,0,1|1,1,0]=4 21023 B15R2.19027 Brc1ccc(cc1)COCC2CCO2 34a_100000695286_100000103362 [0,0,0,1,0,1|1,1,0]=4 21024 B15R2.19027 Brc1ccc(cc1)COCC2COC2 34a_100000060846_100000189115 [0,0,0,1,0,1|1,1,0]=4 21025 B15R2.19027 Brc1ccc(cc1)COCC2COC2 34a_100000695286_100010264016 [0,0,0,1,0,1|1,1,0]=4 21026 B15R2.19027 Cc1ccc(cc1)COCC2CCO2 34a_100000039022_100000210814 [0,0,0,1,0,1|2,0,0]=4 21027 B15R2.19027 Cc1ccc(cc1)COCC2CCO2 34a_100011215236_100000103362 [0,0,0,1,0,1|2,0,0]=4 21028 B15R2.19027 Cc1ccc(cc1)COCC2CCO2 7a_100011215236_100000103362 [0,0,0,1,0,1|2,0,0]=4 21029 B15R2.19027 Cc1ccc(cc1)COCC2COC2 34a_100000060846_100000210814 [0,0,0,1,0,1|2,0,0]=4 21030 B15R2.19027 Cc1ccc(cc1)COCC2COC2 34a_100011215236_100010264016 [0,0,0,1,0,1|2,0,0]=4 21031 B15R2.19027 Cc1ccc(cc1)COCC2COC2 7a_100011215236_100010264016 [0,0,0,1,0,1|2,0,0]=4 21032 B15R2.19027 Clc1ccc(cc1)CCNC2COC2 2230a_100016991112_100011713675 [0,0,0,1,0,1|2,0,0]=4 21033 B15R2.19027 Clc1ccc(cc1)CCNC2COC2 34a_100000185265_100009818527 [0,0,0,1,0,1|2,0,0]=4 21034 B15R2.19027 Clc1ccc(cc1)CCOC2COC2 34a_100011219627_100009818527 [0,0,0,1,0,1|2,0,0]=4 21035 B15R2.19027 Clc1ccc(cc1)CCOC2COC2 7a_100011219627_100009818527 [0,0,0,1,0,1|2,0,0]=4 21036 B15R2.19027 Clc1ccc(cc1)CCSC2COC2 62a_100011713675_100009818527 [0,0,0,1,0,1|2,0,0]=4 21037 B15R2.19027 Clc1ccc(cc1)CNCC2CCO2 2230a_100000174871_100000103362 [0,0,0,1,0,1|2,0,0]=4 21038 B15R2.19027 Clc1ccc(cc1)CNCC2CCO2 34a_100000174871_100000103362 [0,0,0,1,0,1|2,0,0]=4 21039 B15R2.19027 Clc1ccc(cc1)CNCC2COC2 207a_100015281925_100000189385 [0,0,0,1,0,1|2,0,0]=4 21040 B15R2.19027 Clc1ccc(cc1)CNCC2COC2 2230a_100000174871_100010264016 [0,0,0,1,0,1|2,0,0]=4 21041 B15R2.19027 Clc1ccc(cc1)CNCC2COC2 2230a_100015281925_100000694040 [0,0,0,1,0,1|2,0,0]=4 21042 B15R2.19027 Clc1ccc(cc1)CNCC2COC2 270004a_100015281925_100000189385 [0,0,0,1,0,1|2,0,0]=4 21043 B15R2.19027 Clc1ccc(cc1)CNCC2COC2 34a_100000174871_100010264016 [0,0,0,1,0,1|2,0,0]=4 21044 B15R2.19027 Clc1ccc(cc1)CNCC2COC2 34a_100015281925_100000694040 [0,0,0,1,0,1|2,0,0]=4 21045 B15R2.19027 Clc1ccc(cc1)CNC[C@@H]2CCO2 207a_100020831831_100000189385 [0,0,0,1,0,1|2,0,0]=4 21046 B15R2.19027 Clc1ccc(cc1)CNC[C@@H]2CCO2 2230a_100020831831_100000694040 [0,0,0,1,0,1|2,0,0]=4 21047 B15R2.19027 Clc1ccc(cc1)CNC[C@@H]2CCO2 270004a_100020831831_100000189385 [0,0,0,1,0,1|2,0,0]=4 21048 B15R2.19027 Clc1ccc(cc1)CNC[C@@H]2CCO2 34a_100020831831_100000694040 [0,0,0,1,0,1|2,0,0]=4 21049 B15R2.19027 Clc1ccc(cc1)COCC2CCC2 34a_100000211118_100000763275 [0,0,0,1,0,1|2,0,0]=4 21050 B15R2.19027 Clc1ccc(cc1)COCC2CCC2 34a_100000760304_100000694040 [0,0,0,1,0,1|2,0,0]=4 21051 B15R2.19027 Clc1ccc(cc1)COCC2CCC2 7a_100000211118_100000763275 [0,0,0,1,0,1|2,0,0]=4 21052 B15R2.19027 Clc1ccc(cc1)COCC2CCO2 34a_100000039022_100000694040 [0,0,0,1,0,1|1,0,0]=3 21053 B15R2.19027 Clc1ccc(cc1)COCC2CCO2 34a_100000211118_100000103362 [0,0,0,1,0,1|1,0,0]=3 21054 B15R2.19027 Clc1ccc(cc1)COCC2CCO2 7a_100000211118_100000103362 [0,0,0,1,0,1|1,0,0]=3 21055 B15R2.19027 Clc1ccc(cc1)COCC2CNC2 34a_100016987283_100000694040 [0,0,0,1,0,1|2,0,0]=4 21056 B15R2.19027 Clc1ccc(cc1)COCC2COC2 34a_100000060846_100000694040 [0,0,0,1,0,1|1,0,0]=3 21057 B15R2.19027 Clc1ccc(cc1)COCC2COC2 34a_100000211118_100010264016 [0,0,0,1,0,1|1,0,0]=3 21058 B15R2.19027 Clc1ccc(cc1)COCC2COC2 7a_100000211118_100010264016 [0,0,0,1,0,1|1,0,0]=3 21059 B15R2.19027 Clc1ccc(cc1)CSCC2CCO2 62a_100000103362_100000187161 [0,0,0,1,0,1|1,1,0]=4 21060 B15R2.19027 Clc1ccc(cc1)CSCC2CCO2 62a_100000187161_100000103362 [0,0,0,1,0,1|1,1,0]=4 21061 B15R2.19027 Clc1ccc(cc1)CSCC2COC2 62a_100000187161_100010264016 [0,0,0,1,0,1|1,1,0]=4 21062 B15R2.19027 Clc1ccc(cc1)CSCC2COC2 62a_100010264016_100000187161 [0,0,0,1,0,1|1,1,0]=4 21063 B15R2.19027 Clc1ccc(cn1)COCC2CCO2 34a_100000039022_100000735431 [0,0,0,1,0,1|2,0,0]=4 21064 B15R2.19027 Clc1ccc(cn1)COCC2CCO2 34a_100000755211_100000103362 [0,0,0,1,0,1|2,0,0]=4 21065 B15R2.19027 Clc1ccc(cn1)COCC2CCO2 7a_100000755211_100000103362 [0,0,0,1,0,1|2,0,0]=4 21066 B15R2.19027 Clc1ccc(cn1)COCC2COC2 34a_100000060846_100000735431 [0,0,0,1,0,1|2,0,0]=4 21067 B15R2.19027 Clc1ccc(cn1)COCC2COC2 34a_100000755211_100010264016 [0,0,0,1,0,1|2,0,0]=4 21068 B15R2.19027 Clc1ccc(cn1)COCC2COC2 7a_100000755211_100010264016 [0,0,0,1,0,1|2,0,0]=4 21069 B15R2.19027 Clc1ccc(nc1)COCC2CCO2 34a_100000039022_100012066911 [0,0,0,1,0,1|2,0,0]=4 21070 B15R2.19027 Clc1ccc(nc1)COCC2CCO2 34a_100000703999_100000103362 [0,0,0,1,0,1|2,0,0]=4 21071 B15R2.19027 Clc1ccc(nc1)COCC2COC2 34a_100000060846_100012066911 [0,0,0,1,0,1|2,0,0]=4 21072 B15R2.19027 Clc1ccc(nc1)COCC2COC2 34a_100000703999_100010264016 [0,0,0,1,0,1|2,0,0]=4 21073 B15R2.19027 Fc1ccc(cc1)COCC2CCO2 34a_100000039022_100000198546 [0,0,0,1,0,1|1,1,0]=4 21074 B15R2.19027 Fc1ccc(cc1)COCC2CCO2 34a_100000210977_100000103362 [0,0,0,1,0,1|1,1,0]=4 21075 B15R2.19027 Fc1ccc(cc1)COCC2CCO2 7a_100000210977_100000103362 [0,0,0,1,0,1|1,1,0]=4 21076 B15R2.19027 Fc1ccc(cc1)COCC2COC2 34a_100000060846_100000198546 [0,0,0,1,0,1|1,1,0]=4 21077 B15R2.19027 Fc1ccc(cc1)COCC2COC2 34a_100000210977_100010264016 [0,0,0,1,0,1|1,1,0]=4 21078 B15R2.19027 Fc1ccc(cc1)COCC2COC2 7a_100000210977_100010264016 [0,0,0,1,0,1|1,1,0]=4 21079 B15R2.19027 Ic1ccc(cc1)COCC2CCO2 34a_100000039022_100000189116 [0,0,0,1,0,1|1,1,0]=4 21080 B15R2.19027 Ic1ccc(cc1)COCC2CCO2 34a_100000690907_100000103362 [0,0,0,1,0,1|1,1,0]=4 21081 B15R2.19027 Ic1ccc(cc1)COCC2CCO2 7a_100000690907_100000103362 [0,0,0,1,0,1|1,1,0]=4 21082 B15R2.19027 Ic1ccc(cc1)COCC2COC2 34a_100000060846_100000189116 [0,0,0,1,0,1|1,1,0]=4 21083 B15R2.19027 Ic1ccc(cc1)COCC2COC2 34a_100000690907_100010264016 [0,0,0,1,0,1|1,1,0]=4 21084 B15R2.19027 Ic1ccc(cc1)COCC2COC2 7a_100000690907_100010264016 [0,0,0,1,0,1|1,1,0]=4 21085 B15R2.19027 Nc1ccc(cc1)COCC2CCO2 34a_100011215238_100000103362 [0,0,0,1,0,1|2,0,0]=4 21086 B15R2.19027 Nc1ccc(cc1)COCC2COC2 34a_100011215238_100010264016 [0,0,0,1,0,1|2,0,0]=4 21087 B15R2.433 C=Cc1ccc(cc1)OCC2(CO2)C 34a_100000189437_100000760498 [0,1,0,1,0,0|2,0,0]=4 21088 B15R2.433 CC1(CO1)COc2ccc(cc2)C#N 34a_100000210344_100000760498 [0,1,0,1,0,0|2,0,0]=4 21089 B15R2.433 CC1(CO1)COc2ccc(cc2)CN 34a_100000185549_100000760498 [0,1,0,1,0,0|2,0,0]=4 21090 B15R2.433 CC1(CO1)COc2ccc(cc2)CO 34a_100000211755_100000760498 [0,1,0,1,0,0|2,0,0]=4 21091 B15R2.433 CCc1ccc(cc1)OCC2(CO2)C 34a_100000211359_100000760498 [0,1,0,1,0,0|2,0,0]=4 21092 B15R2.433 CNc1ccc(cc1)OCC2(CO2)C 34a_100000182112_100000760498 [0,1,0,1,0,0|2,0,0]=4 21093 B15R2.433 COc1ccc(cc1)OCC2(CO2)C 34a_100000210503_100000760498 [0,1,0,1,0,0|2,0,0]=4 21094 B15R2.433 CSc1ccc(cc1)OCC2(CO2)C 34a_100000211864_100000760498 [0,1,0,1,0,0|2,0,0]=4 21095 B15R2.446 C=Cc1ccc(cc1)OCC2CCO2 34a_100000189437_100000103362 [0,1,0,1,0,0|2,0,0]=4 21096 B15R2.446 C=Cc1ccc(cc1)OCC2CCO2 7a_100000189437_100000103362 [0,1,0,1,0,0|2,0,0]=4 21097 B15R2.446 C=Cc1ccc(cc1)OCC2COC2 34a_100000189437_100010264016 [0,1,0,1,0,0|2,0,0]=4 21098 B15R2.446 C=Cc1ccc(cc1)OCC2COC2 7a_100000189437_100010264016 [0,1,0,1,0,0|2,0,0]=4 21099 B15R2.446 CCc1ccc(cc1)OCC2CCO2 34a_100000211359_100000103362 [0,1,0,1,0,0|2,0,0]=4 21100 B15R2.446 CCc1ccc(cc1)OCC2CCO2 7a_100000211359_100000103362 [0,1,0,1,0,0|2,0,0]=4 21101 B15R2.446 CCc1ccc(cc1)OCC2COC2 34a_100000211359_100010264016 [0,1,0,1,0,0|2,0,0]=4 21102 B15R2.446 CCc1ccc(cc1)OCC2COC2 7a_100000211359_100010264016 [0,1,0,1,0,0|2,0,0]=4 21103 B15R2.446 CNc1ccc(cc1)OCC2CCO2 34a_100000182112_100000103362 [0,1,0,1,0,0|2,0,0]=4 21104 B15R2.446 CNc1ccc(cc1)OCC2COC2 34a_100000182112_100010264016 [0,1,0,1,0,0|2,0,0]=4 21105 B15R2.446 COc1ccc(cc1)OCC2CCO2 34a_100000210503_100000103362 [0,1,0,1,0,0|2,0,0]=4 21106 B15R2.446 COc1ccc(cc1)OCC2COC2 34a_100000210503_100010264016 [0,1,0,1,0,0|2,0,0]=4 21107 B15R2.446 CSc1ccc(cc1)OCC2CCO2 34a_100000211864_100000103362 [0,1,0,1,0,0|2,0,0]=4 21108 B15R2.446 CSc1ccc(cc1)OCC2COC2 34a_100000211864_100010264016 [0,1,0,1,0,0|2,0,0]=4 21109 B15R2.446 N#Cc1ccc(cc1)OCC2CCO2 34a_100000210344_100000103362 [0,1,0,1,0,0|2,0,0]=4 21110 B15R2.446 N#Cc1ccc(cc1)OCC2CCO2 7a_100000210344_100000103362 [0,1,0,1,0,0|2,0,0]=4 21111 B15R2.446 N#Cc1ccc(cc1)OCC2COC2 34a_100000210344_100010264016 [0,1,0,1,0,0|2,0,0]=4 21112 B15R2.446 N#Cc1ccc(cc1)OCC2COC2 7a_100000210344_100010264016 [0,1,0,1,0,0|2,0,0]=4 21113 B15R2.446 NCc1ccc(cc1)OCC2CCO2 34a_100000185549_100000103362 [0,1,0,1,0,0|2,0,0]=4 21114 B15R2.446 NCc1ccc(cc1)OCC2COC2 34a_100000185549_100010264016 [0,1,0,1,0,0|2,0,0]=4 21115 B15R2.446 OCc1ccc(cc1)OCC2CCO2 34a_100000211755_100000103362 [0,1,0,1,0,0|2,0,0]=4 21116 B15R2.446 OCc1ccc(cc1)OCC2COC2 34a_100000211755_100010264016 [0,1,0,1,0,0|2,0,0]=4 21117 B15R2.19898 OCC(O)CSc1ccc2c(c1)CC2 62a_100009818592_100011219619 [0,1,0,1,0,0|1,1,0]=4 21118 B15R2.19898 OCC(O)CSc1ccc2c(c1)CC2 62a_100011219619_100009818592 [0,1,0,1,0,0|1,1,0]=4 21119 B15R2.19898 OC[C@H](O)CSc1ccc2c(c1)CC2 62a_100009815848_100009818592 [0,1,0,1,0,0|1,1,0]=4 21120 B15R2.19898 OC[C@H](O)CSc1ccc2c(c1)CC2 62a_100009818592_100009815848 [0,1,0,1,0,0|1,1,0]=4 21121 B15R2.1521 CC1(CO1)CC(=O)c2ccc(cc2)Cl 1458a_100000210187_100000760498 [0,1,0,1,0,0|2,0,0]=4 21122 B15R2.1521 CN(CC1(CO1)C)c2ccc(cc2)Cl 269982a_100020629279_100000760498 [0,1,0,1,0,0|2,0,0]=4 21123 B15R2.1521 CN(CC1(CO1)C)c2ccc(cc2)Cl 34a_100020629279_100000760498 [0,1,0,1,0,0|2,0,0]=4 21124 B15R2.18979 CN(CC1CCO1)c2ccc(cc2)Cl 2230a_100020629279_100000103362 [0,1,0,1,0,0|2,0,0]=4 21125 B15R2.18979 CN(CC1CCO1)c2ccc(cc2)Cl 269982a_100020629279_100000103362 [0,1,0,1,0,0|2,0,0]=4 21126 B15R2.18979 CN(CC1CCO1)c2ccc(cc2)Cl 34a_100020629279_100000103362 [0,1,0,1,0,0|2,0,0]=4 21127 B15R2.18979 CN(CC1COC1)c2ccc(cc2)Cl 2230a_100020629279_100010264016 [0,1,0,1,0,0|2,0,0]=4 21128 B15R2.18979 CN(CC1COC1)c2ccc(cc2)Cl 269982a_100020629279_100010264016 [0,1,0,1,0,0|2,0,0]=4 21129 B15R2.18979 CN(CC1COC1)c2ccc(cc2)Cl 34a_100020629279_100010264016 [0,1,0,1,0,0|2,0,0]=4 21130 B15R2.18979 O=C(CC1CCO1)c2ccc(cc2)Cl 1458a_100000210187_100000103362 [0,1,0,1,0,0|2,0,0]=4 21131 B15R2.18979 O=C(CC1COC1)c2ccc(cc2)Cl 1458a_100000210187_100010264016 [0,1,0,1,0,0|2,0,0]=4 21132 B15R2.1510 Cc1ccc(cc1)NC2COCC2O 34a_100000124888_200000725654 [0,1,0,1,0,0|2,0,0]=4 21133 B15R2.1510 Cc1ccc(cc1)OC2COCC2O 34a_100000210336_200000725654 [0,1,0,1,0,0|1,0,0]=3 21134 B15R2.1510 Cc1ccc(cc1)OC2COCC2O 7a_100000210336_200000725654 [0,1,0,1,0,0|1,0,0]=3 21135 B15R2.1510 Cc1ccc(cc1)SC2COCC2O 62a_100000186775_200000725654 [0,1,0,1,0,0|1,1,0]=4 21136 B15R2.1510 Cc1ccc(cc1)SC2COCC2O 62a_200000725654_100000186775 [0,1,0,1,0,0|1,1,0]=4 21137 B15R2.1510 Cc1ccc(cn1)OC2COCC2O 34a_100000745506_200000725654 [0,1,0,1,0,0|2,0,0]=4 21138 B15R2.1510 Cc1ccc(cn1)OC2COCC2O 7a_100000745506_200000725654 [0,1,0,1,0,0|2,0,0]=4 21139 B15R2.1510 Cc1ccc(nc1)OC2COCC2O 34a_100000759353_200000725654 [0,1,0,1,0,0|2,0,0]=4 21140 B15R2.1510 Nc1ccc(cc1)OC2COCC2O 34a_100000185829_200000725654 [0,1,0,1,0,0|1,0,0]=3 21141 B15R2.1510 Nc1ccc(cc1)SC2COCC2O 62a_100000185761_200000725654 [0,1,0,1,0,0|1,1,0]=4 21142 B15R2.1510 Nc1ccc(cc1)SC2COCC2O 62a_200000725654_100000185761 [0,1,0,1,0,0|1,1,0]=4 21143 B15R2.1510 Nc1ccc(cn1)OC2COCC2O 34a_100015188713_200000725654 [0,1,0,1,0,0|2,0,0]=4 21144 B15R2.1510 Nc1ccc(cn1)OC2COCC2O 7a_100015188713_200000725654 [0,1,0,1,0,0|2,0,0]=4 21145 B15R2.1510 Nc1ccc(nc1)OC2COCC2O 34a_100000729260_200000725654 [0,1,0,1,0,0|2,0,0]=4 21146 B15R2.1510 O=c1ccc(c[nH]1)OC2COCC2O 34a_100000075641_200000725654 [0,1,0,1,0,0|2,0,0]=4 21147 B15R2.1510 OC1COCC1Nc2ccc(cc2)Br 34a_100000210018_200000725654 [0,1,0,1,0,0|1,1,0]=4 21148 B15R2.1510 OC1COCC1Nc2ccc(cc2)Cl 34a_100000210052_200000725654 [0,1,0,1,0,0|1,0,0]=3 21149 B15R2.1510 OC1COCC1Nc2ccc(cc2)F 34a_100000185862_200000725654 [0,1,0,1,0,0|1,1,0]=4 21150 B15R2.1510 OC1COCC1Nc2ccc(cc2)I 34a_100000185761_200000725654 [0,1,0,1,0,0|1,1,0]=4 21151 B15R2.1510 OC1COCC1Oc2ccc(cc2)Br 34a_100000185759_200000725654 [0,1,0,1,0,0|0,1,0]=3 21152 B15R2.1510 OC1COCC1Oc2ccc(cc2)Br 7a_100000185759_200000725654 [0,1,0,1,0,0|0,1,0]=3 21153 B15R2.1510 OC1COCC1Oc2ccc(cc2)Cl 34a_100000210216_200000725654 [0,1,0,1,0,0|0,0,0]=2 21154 B15R2.1510 OC1COCC1Oc2ccc(cc2)Cl 7a_100000210216_200000725654 [0,1,0,1,0,0|0,0,0]=2 21155 B15R2.1510 OC1COCC1Oc2ccc(cc2)F 34a_100000210339_200000725654 [0,1,0,1,0,0|0,1,0]=3 21156 B15R2.1510 OC1COCC1Oc2ccc(cc2)I 34a_100000212066_200000725654 [0,1,0,1,0,0|0,1,0]=3 21157 B15R2.1510 OC1COCC1Oc2ccc(cc2)I 7a_100000212066_200000725654 [0,1,0,1,0,0|0,1,0]=3 21158 B15R2.1510 OC1COCC1Oc2ccc(cn2)Cl 34a_100011215309_200000725654 [0,1,0,1,0,0|1,0,0]=3 21159 B15R2.1510 OC1COCC1Oc2ccc(cn2)F 34a_100000742473_200000725654 [0,1,0,1,0,0|1,1,0]=4 21160 B15R2.1510 OC1COCC1Oc2ccc(nc2)Br 34a_100000685995_200000725654 [0,1,0,1,0,0|1,1,0]=4 21161 B15R2.1510 OC1COCC1Oc2ccc(nc2)Br 7a_100000685995_200000725654 [0,1,0,1,0,0|1,1,0]=4 21162 B15R2.1510 OC1COCC1Oc2ccc(nc2)Cl 34a_100000744096_200000725654 [0,1,0,1,0,0|1,0,0]=3 21163 B15R2.1510 OC1COCC1Oc2ccc(nc2)Cl 7a_100000744096_200000725654 [0,1,0,1,0,0|1,0,0]=3 21164 B15R2.1510 OC1COCC1Oc2ccc(nc2)F 34a_100000688820_200000725654 [0,1,0,1,0,0|1,1,0]=4 21165 B15R2.1510 OC1COCC1Oc2ccc(nc2)F 7a_100000688820_200000725654 [0,1,0,1,0,0|1,1,0]=4 21166 B15R2.1510 OC1COCC1Oc2ccc(nc2)I 34a_100000687607_200000725654 [0,1,0,1,0,0|1,1,0]=4 21167 B15R2.1510 OC1COCC1Oc2ccc(nc2)I 7a_100000687607_200000725654 [0,1,0,1,0,0|1,1,0]=4 21168 B15R2.1510 OC1COCC1Oc2cnc(cn2)Cl 34a_100015839800_200000725654 [0,1,0,1,0,0|2,0,0]=4 21169 B15R2.1510 OC1COCC1Oc2cnc(nc2)Cl 34a_100000092845_200000725654 [0,1,0,1,0,0|2,0,0]=4 21170 B15R2.1510 OC1COCC1Oc2cnc(nc2)Cl 7a_100000092845_200000725654 [0,1,0,1,0,0|2,0,0]=4 21171 B15R2.1510 OC1COCC1Sc2ccc(cc2)Br 62a_100000752885_200000725654 [0,1,0,1,0,0|0,2,0]=4 21172 B15R2.1510 OC1COCC1Sc2ccc(cc2)Br 62a_200000725654_100000752885 [0,1,0,1,0,0|0,2,0]=4 21173 B15R2.1510 OC1COCC1Sc2ccc(cc2)Cl 62a_100000755918_200000725654 [0,1,0,1,0,0|0,1,0]=3 21174 B15R2.1510 OC1COCC1Sc2ccc(cc2)Cl 62a_200000725654_100000755918 [0,1,0,1,0,0|0,1,0]=3 21175 B15R2.1510 OC1COCC1Sc2ccc(cc2)F 62a_100000211213_200000725654 [0,1,0,1,0,0|0,2,0]=4 21176 B15R2.1510 OC1COCC1Sc2ccc(cc2)F 62a_200000725654_100000211213 [0,1,0,1,0,0|0,2,0]=4 21177 B15R2.1510 OC1COCC1Sc2ccc(cn2)Cl 62a_100011356976_200000725654 [0,1,0,1,0,0|1,1,0]=4 21178 B15R2.1510 OC1COCC1Sc2ccc(cn2)Cl 62a_200000725654_100011356976 [0,1,0,1,0,0|1,1,0]=4 21179 B15R2.1510 OC1COCC1Sc2ccc(nc2)Cl 62a_100000034144_200000725654 [0,1,0,1,0,0|1,1,0]=4 21180 B15R2.1510 OC1COCC1Sc2ccc(nc2)Cl 62a_200000725654_100000034144 [0,1,0,1,0,0|1,1,0]=4 21181 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(cc2)Cl 62a_100000755918_200016002552 [0,1,0,1,0,0|1,1,0]=4 21182 B15R2.1510 O[C@@H]1CCC[C@H]1Sc2ccc(cc2)Cl 62a_200016002552_100000755918 [0,1,0,1,0,0|1,1,0]=4 21183 B15R2.1510 Oc1ccc(cc1)NC2COCC2O 34a_100000185829_200000725654 [0,1,0,1,0,0|2,0,0]=4 21184 B15R2.1510 Oc1ccc(cc1)SC2COCC2O 62a_200000725654_100000185759 [0,1,0,1,0,0|1,1,0]=4 21185 B15R2.5213 CCC1(CO1)CNc2ccc(cc2)Cl 34a_100000210052_200000139556 [0,1,0,1,0,0|2,0,0]=4 21186 B15R2.5213 CCC1(CO1)COc2ccc(cc2)Br 34a_100000185759_200000139556 [0,1,0,1,0,0|1,1,0]=4 21187 B15R2.5213 CCC1(CO1)COc2ccc(cc2)Br 7a_100000185759_200000139556 [0,1,0,1,0,0|1,1,0]=4 21188 B15R2.5213 CCC1(CO1)COc2ccc(cc2)C 34a_100000210336_200000139556 [0,1,0,1,0,0|2,0,0]=4 21189 B15R2.5213 CCC1(CO1)COc2ccc(cc2)C 7a_100000210336_200000139556 [0,1,0,1,0,0|2,0,0]=4 21190 B15R2.5213 CCC1(CO1)COc2ccc(cc2)Cl 34a_100000210216_200000139556 [0,1,0,1,0,0|1,0,0]=3 21191 B15R2.5213 CCC1(CO1)COc2ccc(cc2)Cl 7a_100000210216_200000139556 [0,1,0,1,0,0|1,0,0]=3 21192 B15R2.5213 CCC1(CO1)COc2ccc(cc2)F 34a_100000210339_200000139556 [0,1,0,1,0,0|1,1,0]=4 21193 B15R2.5213 CCC1(CO1)COc2ccc(cc2)I 34a_100000212066_200000139556 [0,1,0,1,0,0|1,1,0]=4 21194 B15R2.5213 CCC1(CO1)COc2ccc(cc2)I 7a_100000212066_200000139556 [0,1,0,1,0,0|1,1,0]=4 21195 B15R2.5213 CCC1(CO1)COc2ccc(cc2)N 34a_100000185829_200000139556 [0,1,0,1,0,0|2,0,0]=4 21196 B15R2.5213 CCC1(CO1)COc2ccc(cn2)Cl 34a_100011215309_200000139556 [0,1,0,1,0,0|2,0,0]=4 21197 B15R2.5213 CCC1(CO1)COc2ccc(nc2)Cl 34a_100000744096_200000139556 [0,1,0,1,0,0|2,0,0]=4 21198 B15R2.5213 CCC1(CO1)COc2ccc(nc2)Cl 7a_100000744096_200000139556 [0,1,0,1,0,0|2,0,0]=4 21199 B15R2.5213 CCC1(CO1)CSc2ccc(cc2)Cl 62a_100000755918_200000139556 [0,1,0,1,0,0|1,1,0]=4 21200 B15R2.5213 CCC1(CO1)CSc2ccc(cc2)Cl 62a_200000139556_100000755918 [0,1,0,1,0,0|1,1,0]=4 21201 B15R2.5213 N#CC1(CC1)COc2ccc(cc2)Cl 34a_100000210216_100000695377 [0,1,0,1,0,0|2,0,0]=4 21202 B15R2.5213 N#CC1(CC1)COc2ccc(cc2)Cl 7a_100000210216_100000695377 [0,1,0,1,0,0|2,0,0]=4 21203 B15R2.19033 CC1(CCC1)COc2ccc(cc2)Cl 34a_100000210216_100000726658 [0,1,0,1,0,0|2,0,0]=4 21204 B15R2.19033 CC1(CCC1)COc2ccc(cc2)Cl 7a_100000210216_100000726658 [0,1,0,1,0,0|2,0,0]=4 21205 B15R2.19033 CC1(COC1)CNc2ccc(cc2)Cl 2230a_100000210052_100000066812 [0,1,0,1,0,0|2,0,0]=4 21206 B15R2.19033 CC1(COC1)CNc2ccc(cc2)Cl 34a_100000210052_100009817586 [0,1,0,1,0,0|2,0,0]=4 21207 B15R2.19033 CC1(COC1)COc2ccc(cc2)Br 34a_100000185759_100009817586 [0,1,0,1,0,0|1,1,0]=4 21208 B15R2.19033 CC1(COC1)COc2ccc(cc2)Br 7a_100000185759_100009817586 [0,1,0,1,0,0|1,1,0]=4 21209 B15R2.19033 CC1(COC1)COc2ccc(cc2)Cl 34a_100000210216_100009817586 [0,1,0,1,0,0|1,0,0]=3 21210 B15R2.19033 CC1(COC1)COc2ccc(cc2)Cl 7a_100000210216_100009817586 [0,1,0,1,0,0|1,0,0]=3 21211 B15R2.19033 CC1(COC1)COc2ccc(cc2)F 34a_100000210339_100009817586 [0,1,0,1,0,0|1,1,0]=4 21212 B15R2.19033 CC1(COC1)COc2ccc(cc2)I 34a_100000212066_100009817586 [0,1,0,1,0,0|1,1,0]=4 21213 B15R2.19033 CC1(COC1)COc2ccc(cc2)I 7a_100000212066_100009817586 [0,1,0,1,0,0|1,1,0]=4 21214 B15R2.19033 CC1(COC1)COc2ccc(cc2)N 34a_100000185829_100009817586 [0,1,0,1,0,0|2,0,0]=4 21215 B15R2.19033 CC1(COC1)COc2ccc(cn2)Cl 34a_100011215309_100009817586 [0,1,0,1,0,0|2,0,0]=4 21216 B15R2.19033 CC1(COC1)COc2ccc(nc2)Cl 34a_100000744096_100009817586 [0,1,0,1,0,0|2,0,0]=4 21217 B15R2.19033 CC1(COC1)COc2ccc(nc2)Cl 7a_100000744096_100009817586 [0,1,0,1,0,0|2,0,0]=4 21218 B15R2.19033 CC1(COC1)CSc2ccc(cc2)Cl 62a_100000755918_100009817586 [0,1,0,1,0,0|1,1,0]=4 21219 B15R2.19033 CC1(COC1)CSc2ccc(cc2)Cl 62a_100009817586_100000755918 [0,1,0,1,0,0|1,1,0]=4 21220 B15R2.19033 Cc1ccc(cc1)OCC2(COC2)C 34a_100000210336_100009817586 [0,1,0,1,0,0|2,0,0]=4 21221 B15R2.19033 Cc1ccc(cc1)OCC2(COC2)C 7a_100000210336_100009817586 [0,1,0,1,0,0|2,0,0]=4 21222 B15R2.100 Brc1ccc(cc1)OCC2CCCO2 7a_100000185759_100000203698 [0,1,0,1,0,0|1,1,0]=4 21223 B15R2.100 Brc1ccc(cc1)OCC2CCOC2 34a_100000185759_100011261433 [0,1,0,1,0,0|1,1,0]=4 21224 B15R2.100 Brc1ccc(cc1)OCC2CCOC2 7a_100000185759_100000702531 [0,1,0,1,0,0|1,1,0]=4 21225 B15R2.100 Brc1ccc(cc1)OCC2OCCO2 34a_100000185759_100000755774 [0,1,0,1,0,0|1,1,0]=4 21226 B15R2.100 Brc1ccc(cc1)OCC2OCCO2 7a_100000185759_100000755774 [0,1,0,1,0,0|1,1,0]=4 21227 B15R2.100 Cc1ccc(cc1)OCC2CCCO2 7a_100000210336_100000203698 [0,1,0,1,0,0|2,0,0]=4 21228 B15R2.100 Cc1ccc(cc1)OCC2CCOC2 34a_100000210336_100011261433 [0,1,0,1,0,0|2,0,0]=4 21229 B15R2.100 Cc1ccc(cc1)OCC2CCOC2 7a_100000210336_100000702531 [0,1,0,1,0,0|2,0,0]=4 21230 B15R2.100 Cc1ccc(cc1)OCC2OCCO2 34a_100000210336_100000755774 [0,1,0,1,0,0|2,0,0]=4 21231 B15R2.100 Cc1ccc(cc1)OCC2OCCO2 7a_100000210336_100000755774 [0,1,0,1,0,0|2,0,0]=4 21232 B15R2.100 Clc1ccc(cc1)NCC2CCCO2 2230a_100000210052_100000203698 [0,1,0,1,0,0|2,0,0]=4 21233 B15R2.100 Clc1ccc(cc1)NCC2CCOC2 2230a_100000210052_100000702531 [0,1,0,1,0,0|2,0,0]=4 21234 B15R2.100 Clc1ccc(cc1)NCC2CCOC2 34a_100000210052_100011261433 [0,1,0,1,0,0|2,0,0]=4 21235 B15R2.100 Clc1ccc(cc1)NCC2OCCO2 2230a_100000210052_100000755774 [0,1,0,1,0,0|2,0,0]=4 21236 B15R2.100 Clc1ccc(cc1)NCC2OCCO2 34a_100000210052_100000755774 [0,1,0,1,0,0|2,0,0]=4 21237 B15R2.100 Clc1ccc(cc1)OCC2CCCC2 34a_100000210216_100000740388 [0,1,0,1,0,0|2,0,0]=4 21238 B15R2.100 Clc1ccc(cc1)OCC2CCCC2 7a_100000210216_100000740388 [0,1,0,1,0,0|2,0,0]=4 21239 B15R2.100 Clc1ccc(cc1)OCC2CCCO2 7a_100000210216_100000203698 [0,1,0,1,0,0|1,0,0]=3 21240 B15R2.100 Clc1ccc(cc1)OCC2CCOC2 34a_100000210216_100011261433 [0,1,0,1,0,0|1,0,0]=3 21241 B15R2.100 Clc1ccc(cc1)OCC2CCOC2 7a_100000210216_100000702531 [0,1,0,1,0,0|1,0,0]=3 21242 B15R2.100 Clc1ccc(cc1)OCC2OCCO2 34a_100000210216_100000755774 [0,1,0,1,0,0|1,0,0]=3 21243 B15R2.100 Clc1ccc(cc1)OCC2OCCO2 7a_100000210216_100000755774 [0,1,0,1,0,0|1,0,0]=3 21244 B15R2.100 Clc1ccc(cc1)SCC2CCCO2 62a_100000203698_100000755918 [0,1,0,1,0,0|1,1,0]=4 21245 B15R2.100 Clc1ccc(cc1)SCC2CCCO2 62a_100000755918_100000203698 [0,1,0,1,0,0|1,1,0]=4 21246 B15R2.100 Clc1ccc(cc1)SCC2CCOC2 62a_100000702531_100000755918 [0,1,0,1,0,0|1,1,0]=4 21247 B15R2.100 Clc1ccc(cc1)SCC2CCOC2 62a_100000755918_100000702531 [0,1,0,1,0,0|1,1,0]=4 21248 B15R2.100 Clc1ccc(cc1)SCC2OCCO2 62a_100000755774_100000755918 [0,1,0,1,0,0|1,1,0]=4 21249 B15R2.100 Clc1ccc(cc1)SCC2OCCO2 62a_100000755918_100000755774 [0,1,0,1,0,0|1,1,0]=4 21250 B15R2.100 Clc1ccc(cn1)OCC2CCCO2 7a_100000744096_100000203698 [0,1,0,1,0,0|2,0,0]=4 21251 B15R2.100 Clc1ccc(cn1)OCC2CCOC2 34a_100000744096_100011261433 [0,1,0,1,0,0|2,0,0]=4 21252 B15R2.100 Clc1ccc(cn1)OCC2CCOC2 7a_100000744096_100000702531 [0,1,0,1,0,0|2,0,0]=4 21253 B15R2.100 Clc1ccc(cn1)OCC2OCCO2 34a_100000744096_100000755774 [0,1,0,1,0,0|2,0,0]=4 21254 B15R2.100 Clc1ccc(cn1)OCC2OCCO2 7a_100000744096_100000755774 [0,1,0,1,0,0|2,0,0]=4 21255 B15R2.100 Clc1ccc(nc1)OCC2CCOC2 34a_100011215309_100011261433 [0,1,0,1,0,0|2,0,0]=4 21256 B15R2.100 Clc1ccc(nc1)OCC2OCCO2 34a_100011215309_100000755774 [0,1,0,1,0,0|2,0,0]=4 21257 B15R2.100 Fc1ccc(cc1)OCC2CCOC2 34a_100000210339_100011261433 [0,1,0,1,0,0|1,1,0]=4 21258 B15R2.100 Fc1ccc(cc1)OCC2OCCO2 34a_100000210339_100000755774 [0,1,0,1,0,0|1,1,0]=4 21259 B15R2.100 Ic1ccc(cc1)OCC2CCCO2 7a_100000212066_100000203698 [0,1,0,1,0,0|1,1,0]=4 21260 B15R2.100 Ic1ccc(cc1)OCC2CCOC2 34a_100000212066_100011261433 [0,1,0,1,0,0|1,1,0]=4 21261 B15R2.100 Ic1ccc(cc1)OCC2CCOC2 7a_100000212066_100000702531 [0,1,0,1,0,0|1,1,0]=4 21262 B15R2.100 Ic1ccc(cc1)OCC2OCCO2 34a_100000212066_100000755774 [0,1,0,1,0,0|1,1,0]=4 21263 B15R2.100 Ic1ccc(cc1)OCC2OCCO2 7a_100000212066_100000755774 [0,1,0,1,0,0|1,1,0]=4 21264 B15R2.100 Nc1ccc(cc1)OCC2CCOC2 34a_100000185829_100011261433 [0,1,0,1,0,0|2,0,0]=4 21265 B15R2.100 Nc1ccc(cc1)OCC2OCCO2 34a_100000185829_100000755774 [0,1,0,1,0,0|2,0,0]=4 21266 B15R2.100 Oc1ccc(cc1)OCC2CCCO2 271570a_203496583355_100000171240 [0,1,0,1,0,0|2,0,0]=4 21267 B15R2.1553 O=C1CC(C1)COc2ccc(cc2)Cl 7a_100000210216_100009874392 [0,1,0,1,0,0|1,0,1]=4 21268 B15R2.2815 CNC1COc2ccc(cc2OC1)C 270004a_106832991635_100000068802 [0,1,0,1,0,0|2,0,0]=4 21269 B15R2.19035 FC1(CC1COc2ccc(cc2)Cl)F 34a_100000210216_100009817841 [0,1,0,1,0,0|2,0,0]=4 21270 B15R2.19035 FC1(CC1COc2ccc(cc2)Cl)F 7a_100000210216_100009817841 [0,1,0,1,0,0|2,0,0]=4 21271 B15R2.15652 CC1(CO1)CNc2ccc(cc2Br)Cl 34a_100000752454_100000760498 [0,1,0,1,0,0|2,0,0]=4 21272 B15R2.15652 CC1(CO1)CNc2ccc(cc2Cl)Cl 34a_100000185861_100000760498 [0,1,0,1,0,0|2,0,0]=4 21273 B15R2.15652 CC1(CO1)CNc2ccc(cc2F)Cl 34a_100000211020_100000760498 [0,1,0,1,0,0|2,0,0]=4 21274 B15R2.15652 CC1(CO1)CNc2ccc(cc2I)Cl 34a_100000761889_100000760498 [0,1,0,1,0,0|2,0,0]=4 21275 B15R2.15652 CC1(CO1)CNc2ccc(cc2O)Cl 34a_100000185728_100000760498 [0,1,0,1,0,0|2,0,0]=4 21276 B15R2.15652 CC1(CO1)COc2ccc(cc2Br)Br 34a_100000188717_100000760498 [0,1,0,1,0,0|1,1,0]=4 21277 B15R2.15652 CC1(CO1)COc2ccc(cc2Br)Cl 34a_100000211998_100000760498 [0,1,0,1,0,0|1,0,0]=3 21278 B15R2.15652 CC1(CO1)COc2ccc(cc2Br)F 34a_100000211999_100000760498 [0,1,0,1,0,0|1,1,0]=4 21279 B15R2.15652 CC1(CO1)COc2ccc(cc2Br)I 34a_100012361655_100000760498 [0,1,0,1,0,0|1,1,0]=4 21280 B15R2.15652 CC1(CO1)COc2ccc(cc2Br)N 34a_100011534360_100000760498 [0,1,0,1,0,0|2,0,0]=4 21281 B15R2.15652 CC1(CO1)COc2ccc(cc2Cl)Br 34a_100000186472_100000760498 [0,1,0,1,0,0|1,1,0]=4 21282 B15R2.15652 CC1(CO1)COc2ccc(cc2Cl)Cl 34a_100015191787_100000760498 [0,1,0,1,0,0|1,0,0]=3 21283 B15R2.15652 CC1(CO1)COc2ccc(cc2Cl)F 34a_100000212004_100000760498 [0,1,0,1,0,0|1,1,0]=4 21284 B15R2.15652 CC1(CO1)COc2ccc(cc2Cl)I 34a_100012360047_100000760498 [0,1,0,1,0,0|1,1,0]=4 21285 B15R2.15652 CC1(CO1)COc2ccc(cc2Cl)N 34a_100000744943_100000760498 [0,1,0,1,0,0|2,0,0]=4 21286 B15R2.15652 CC1(CO1)COc2ccc(cc2F)Br 34a_100000185481_100000760498 [0,1,0,1,0,0|1,1,0]=4 21287 B15R2.15652 CC1(CO1)COc2ccc(cc2F)Cl 34a_100000230166_100000760498 [0,1,0,1,0,0|1,0,0]=3 21288 B15R2.15652 CC1(CO1)COc2ccc(cc2F)F 34a_100000230127_100000760498 [0,1,0,1,0,0|1,1,0]=4 21289 B15R2.15652 CC1(CO1)COc2ccc(cc2F)I 34a_100011356965_100000760498 [0,1,0,1,0,0|1,1,0]=4 21290 B15R2.15652 CC1(CO1)COc2ccc(cc2F)N 34a_100011220035_100000760498 [0,1,0,1,0,0|2,0,0]=4 21291 B15R2.15652 CC1(CO1)COc2ccc(cc2I)Br 34a_100012355227_100000760498 [0,1,0,1,0,0|1,1,0]=4 21292 B15R2.15652 CC1(CO1)COc2ccc(cc2I)Cl 34a_100011356953_100000760498 [0,1,0,1,0,0|1,0,0]=3 21293 B15R2.15652 CC1(CO1)COc2ccc(cc2I)F 34a_100012355409_100000760498 [0,1,0,1,0,0|1,1,0]=4 21294 B15R2.15652 CC1(CO1)COc2ccc(cc2N)Br 34a_100000752626_100000760498 [0,1,0,1,0,0|1,1,0]=4 21295 B15R2.15652 CC1(CO1)COc2ccc(cc2N)Cl 34a_100000210500_100000760498 [0,1,0,1,0,0|1,0,0]=3 21296 B15R2.15652 CC1(CO1)COc2ccc(cc2N)F 34a_100000759472_100000760498 [0,1,0,1,0,0|1,1,0]=4 21297 B15R2.15652 CC1(CO1)COc2ccc(cc2N)I 34a_100000753495_100000760498 [0,1,0,1,0,0|1,1,0]=4 21298 B15R2.15652 CC1(CO1)COc2ccc(cc2N)N 34a_100000725306_100000760498 [0,1,0,1,0,0|2,0,0]=4 21299 B15R2.15652 CC1(CO1)COc2ccc(nc2Br)Cl 34a_100010219353_100000760498 [0,1,0,1,0,0|2,0,0]=4 21300 B15R2.15652 CC1(CO1)COc2ccc(nc2Cl)Cl 34a_100000101165_100000760498 [0,1,0,1,0,0|2,0,0]=4 21301 B15R2.15652 CC1(CO1)COc2ccc(nc2F)Cl 34a_100009880201_100000760498 [0,1,0,1,0,0|2,0,0]=4 21302 B15R2.15652 CC1(CO1)COc2ccc(nc2I)Cl 34a_100000696390_100000760498 [0,1,0,1,0,0|2,0,0]=4 21303 B15R2.15652 CC1(CO1)COc2ccc(nc2N)Cl 34a_100000717809_100000760498 [0,1,0,1,0,0|2,0,0]=4 21304 B15R2.15652 CC1(CO1)COc2cnc(cc2Cl)Cl 34a_100009868576_100000760498 [0,1,0,1,0,0|2,0,0]=4 21305 B15R2.15652 CC1(CO1)COc2cnc(cc2I)Cl 34a_100000698892_100000760498 [0,1,0,1,0,0|2,0,0]=4 21306 B15R2.15652 CC1(CO1)COc2ncc(cc2F)Cl 34a_100011998252_100000760498 [0,1,0,1,0,0|2,0,0]=4 21307 B15R2.15652 CC1(CO1)COc2ncc(cc2N)Cl 34a_100011998249_100000760498 [0,1,0,1,0,0|2,0,0]=4 21308 B15R2.15652 CC1(CO1)CSc2ccc(cc2Br)Cl 62a_100000760498_100011219703 [0,1,0,1,0,0|1,1,0]=4 21309 B15R2.15652 CC1(CO1)CSc2ccc(cc2Br)Cl 62a_100011219703_100000760498 [0,1,0,1,0,0|1,1,0]=4 21310 B15R2.15652 CC1(CO1)CSc2ccc(cc2Cl)Cl 62a_100000699841_100000760498 [0,1,0,1,0,0|1,1,0]=4 21311 B15R2.15652 CC1(CO1)CSc2ccc(cc2Cl)Cl 62a_100000760498_100000699841 [0,1,0,1,0,0|1,1,0]=4 21312 B15R2.15652 CC1(CO1)CSc2ccc(cc2F)Cl 62a_100000760498_100011216042 [0,1,0,1,0,0|1,1,0]=4 21313 B15R2.15652 CC1(CO1)CSc2ccc(cc2F)Cl 62a_100011216042_100000760498 [0,1,0,1,0,0|1,1,0]=4 21314 B15R2.15652 CC1(CO1)CSc2ccc(cc2N)Cl 62a_100000760498_100000761886 [0,1,0,1,0,0|1,1,0]=4 21315 B15R2.15652 CC1(CO1)CSc2ccc(cc2N)Cl 62a_100000761886_100000760498 [0,1,0,1,0,0|1,1,0]=4 21316 B15R2.15652 CC1(CO1)CSc2ccc(cc2O)Cl 62a_100000050036_100000760498 [0,1,0,1,0,0|1,1,0]=4 21317 B15R2.15652 CC1(CO1)CSc2ccc(cc2O)Cl 62a_100000760498_100000050036 [0,1,0,1,0,0|1,1,0]=4 21318 B15R2.15652 Cc1cc(ccc1NCC2(CO2)C)Cl 34a_100000210418_100000760498 [0,1,0,1,0,0|2,0,0]=4 21319 B15R2.15652 Cc1cc(ccc1OCC2(CO2)C)Br 34a_100000186361_100000760498 [0,1,0,1,0,0|1,1,0]=4 21320 B15R2.15652 Cc1cc(ccc1OCC2(CO2)C)Cl 34a_100000211091_100000760498 [0,1,0,1,0,0|1,0,0]=3 21321 B15R2.15652 Cc1cc(ccc1OCC2(CO2)C)F 34a_100000764316_100000760498 [0,1,0,1,0,0|1,1,0]=4 21322 B15R2.15652 Cc1cc(ccc1OCC2(CO2)C)I 34a_100011218673_100000760498 [0,1,0,1,0,0|1,1,0]=4 21323 B15R2.15652 Cc1cc(ccc1OCC2(CO2)C)N 34a_100011218179_100000760498 [0,1,0,1,0,0|2,0,0]=4 21324 B15R2.15652 Cc1cc(ccc1SCC2(CO2)C)Cl 62a_100000760498_100011219607 [0,1,0,1,0,0|1,1,0]=4 21325 B15R2.15652 Cc1cc(ccc1SCC2(CO2)C)Cl 62a_100011219607_100000760498 [0,1,0,1,0,0|1,1,0]=4 21326 B15R2.15652 Cc1cc(ncc1OCC2(CO2)C)Cl 34a_100000692680_100000760498 [0,1,0,1,0,0|2,0,0]=4 21327 B15R2.15652 Cc1ccc(c(c1)Br)OCC2(CO2)C 34a_100000210800_100000760498 [0,1,0,1,0,0|2,0,0]=4 21328 B15R2.15652 Cc1ccc(c(c1)C)OCC2(CO2)C 34a_100000211776_100000760498 [0,1,0,1,0,0|2,0,0]=4 21329 B15R2.15652 Cc1ccc(c(c1)Cl)OCC2(CO2)C 34a_100000749699_100000760498 [0,1,0,1,0,0|2,0,0]=4 21330 B15R2.15652 Cc1ccc(c(c1)F)OCC2(CO2)C 34a_100011216688_100000760498 [0,1,0,1,0,0|2,0,0]=4 21331 B15R2.15652 Cc1ccc(c(c1)I)OCC2(CO2)C 34a_100000765521_100000760498 [0,1,0,1,0,0|2,0,0]=4 21332 B15R2.15652 Cc1ccc(c(c1)N)OCC2(CO2)C 34a_100011215204_100000760498 [0,1,0,1,0,0|2,0,0]=4 21333 B15R2.15652 Cc1nc(ccc1OCC2(CO2)C)Cl 34a_100012184626_100000760498 [0,1,0,1,0,0|2,0,0]=4 21334 B15R2.43839 Brc1cc(ccc1OCC2CCO2)I 34a_100012361655_100000103362 [0,1,0,1,0,0|1,1,0]=4 21335 B15R2.43839 Brc1cc(ccc1OCC2CCO2)I 7a_100012361655_100000103362 [0,1,0,1,0,0|1,1,0]=4 21336 B15R2.43839 Brc1cc(ccc1OCC2COC2)I 34a_100012361655_100010264016 [0,1,0,1,0,0|1,1,0]=4 21337 B15R2.43839 Brc1cc(ccc1OCC2COC2)I 7a_100012361655_100010264016 [0,1,0,1,0,0|1,1,0]=4 21338 B15R2.43839 Brc1ccc(c(c1)Br)OCC2CCO2 34a_100000188717_100000103362 [0,1,0,1,0,0|1,1,0]=4 21339 B15R2.43839 Brc1ccc(c(c1)Br)OCC2CCO2 7a_100000188717_100000103362 [0,1,0,1,0,0|1,1,0]=4 21340 B15R2.43839 Brc1ccc(c(c1)Br)OCC2COC2 34a_100000188717_100010264016 [0,1,0,1,0,0|1,1,0]=4 21341 B15R2.43839 Brc1ccc(c(c1)Br)OCC2COC2 7a_100000188717_100010264016 [0,1,0,1,0,0|1,1,0]=4 21342 B15R2.43839 Brc1ccc(c(c1)I)OCC2CCO2 34a_100012355227_100000103362 [0,1,0,1,0,0|1,1,0]=4 21343 B15R2.43839 Brc1ccc(c(c1)I)OCC2CCO2 7a_100012355227_100000103362 [0,1,0,1,0,0|1,1,0]=4 21344 B15R2.43839 Brc1ccc(c(c1)I)OCC2COC2 34a_100012355227_100010264016 [0,1,0,1,0,0|1,1,0]=4 21345 B15R2.43839 Brc1ccc(c(c1)I)OCC2COC2 7a_100012355227_100010264016 [0,1,0,1,0,0|1,1,0]=4 21346 B15R2.43839 Cc1cc(ccc1NCC2CCO2)Cl 34a_100000210418_100000103362 [0,1,0,1,0,0|2,0,0]=4 21347 B15R2.43839 Cc1cc(ccc1NCC2CCO2)Cl 7a_100000210418_100000103362 [0,1,0,1,0,0|2,0,0]=4 21348 B15R2.43839 Cc1cc(ccc1NCC2COC2)Cl 34a_100000210418_100010264016 [0,1,0,1,0,0|2,0,0]=4 21349 B15R2.43839 Cc1cc(ccc1NCC2COC2)Cl 7a_100000210418_100010264016 [0,1,0,1,0,0|2,0,0]=4 21350 B15R2.43839 Cc1cc(ccc1OCC2CCC2)Cl 34a_100000211091_100000763275 [0,1,0,1,0,0|2,0,0]=4 21351 B15R2.43839 Cc1cc(ccc1OCC2CCC2)Cl 7a_100000211091_100000763275 [0,1,0,1,0,0|2,0,0]=4 21352 B15R2.43839 Cc1cc(ccc1OCC2CCO2)Br 34a_100000186361_100000103362 [0,1,0,1,0,0|1,1,0]=4 21353 B15R2.43839 Cc1cc(ccc1OCC2CCO2)Br 7a_100000186361_100000103362 [0,1,0,1,0,0|1,1,0]=4 21354 B15R2.43839 Cc1cc(ccc1OCC2CCO2)Cl 34a_100000211091_100000103362 [0,1,0,1,0,0|1,0,0]=3 21355 B15R2.43839 Cc1cc(ccc1OCC2CCO2)Cl 7a_100000211091_100000103362 [0,1,0,1,0,0|1,0,0]=3 21356 B15R2.43839 Cc1cc(ccc1OCC2CCO2)F 34a_100000764316_100000103362 [0,1,0,1,0,0|1,1,0]=4 21357 B15R2.43839 Cc1cc(ccc1OCC2CCO2)F 7a_100000764316_100000103362 [0,1,0,1,0,0|1,1,0]=4 21358 B15R2.43839 Cc1cc(ccc1OCC2CCO2)I 34a_100011218673_100000103362 [0,1,0,1,0,0|1,1,0]=4 21359 B15R2.43839 Cc1cc(ccc1OCC2CCO2)I 7a_100011218673_100000103362 [0,1,0,1,0,0|1,1,0]=4 21360 B15R2.43839 Cc1cc(ccc1OCC2CCO2)N 34a_100011218179_100000103362 [0,1,0,1,0,0|2,0,0]=4 21361 B15R2.43839 Cc1cc(ccc1OCC2CCO2)N 7a_100011218179_100000103362 [0,1,0,1,0,0|2,0,0]=4 21362 B15R2.43839 Cc1cc(ccc1OCC2COC2)Br 34a_100000186361_100010264016 [0,1,0,1,0,0|1,1,0]=4 21363 B15R2.43839 Cc1cc(ccc1OCC2COC2)Br 7a_100000186361_100010264016 [0,1,0,1,0,0|1,1,0]=4 21364 B15R2.43839 Cc1cc(ccc1OCC2COC2)Cl 34a_100000211091_100010264016 [0,1,0,1,0,0|1,0,0]=3 21365 B15R2.43839 Cc1cc(ccc1OCC2COC2)Cl 7a_100000211091_100010264016 [0,1,0,1,0,0|1,0,0]=3 21366 B15R2.43839 Cc1cc(ccc1OCC2COC2)F 34a_100000764316_100010264016 [0,1,0,1,0,0|1,1,0]=4 21367 B15R2.43839 Cc1cc(ccc1OCC2COC2)F 7a_100000764316_100010264016 [0,1,0,1,0,0|1,1,0]=4 21368 B15R2.43839 Cc1cc(ccc1OCC2COC2)I 34a_100011218673_100010264016 [0,1,0,1,0,0|1,1,0]=4 21369 B15R2.43839 Cc1cc(ccc1OCC2COC2)I 7a_100011218673_100010264016 [0,1,0,1,0,0|1,1,0]=4 21370 B15R2.43839 Cc1cc(ccc1OCC2COC2)N 34a_100011218179_100010264016 [0,1,0,1,0,0|2,0,0]=4 21371 B15R2.43839 Cc1cc(ccc1OCC2COC2)N 7a_100011218179_100010264016 [0,1,0,1,0,0|2,0,0]=4 21372 B15R2.43839 Cc1cc(ccc1SCC2CCO2)Cl 62a_100000103362_100011219607 [0,1,0,1,0,0|1,1,0]=4 21373 B15R2.43839 Cc1cc(ccc1SCC2CCO2)Cl 62a_100011219607_100000103362 [0,1,0,1,0,0|1,1,0]=4 21374 B15R2.43839 Cc1cc(ccc1SCC2COC2)Cl 62a_100010264016_100011219607 [0,1,0,1,0,0|1,1,0]=4 21375 B15R2.43839 Cc1cc(ccc1SCC2COC2)Cl 62a_100011219607_100010264016 [0,1,0,1,0,0|1,1,0]=4 21376 B15R2.43839 Cc1cc(ncc1OCC2CCO2)Cl 34a_100000692680_100000103362 [0,1,0,1,0,0|2,0,0]=4 21377 B15R2.43839 Cc1cc(ncc1OCC2CCO2)Cl 7a_100000692680_100000103362 [0,1,0,1,0,0|2,0,0]=4 21378 B15R2.43839 Cc1cc(ncc1OCC2COC2)Cl 34a_100000692680_100010264016 [0,1,0,1,0,0|2,0,0]=4 21379 B15R2.43839 Cc1cc(ncc1OCC2COC2)Cl 7a_100000692680_100010264016 [0,1,0,1,0,0|2,0,0]=4 21380 B15R2.43839 Cc1ccc(c(c1)Br)OCC2CCO2 34a_100000210800_100000103362 [0,1,0,1,0,0|2,0,0]=4 21381 B15R2.43839 Cc1ccc(c(c1)Br)OCC2CCO2 7a_100000210800_100000103362 [0,1,0,1,0,0|2,0,0]=4 21382 B15R2.43839 Cc1ccc(c(c1)Br)OCC2COC2 34a_100000210800_100010264016 [0,1,0,1,0,0|2,0,0]=4 21383 B15R2.43839 Cc1ccc(c(c1)Br)OCC2COC2 7a_100000210800_100010264016 [0,1,0,1,0,0|2,0,0]=4 21384 B15R2.43839 Cc1ccc(c(c1)C)OCC2CCO2 34a_100000211776_100000103362 [0,1,0,1,0,0|2,0,0]=4 21385 B15R2.43839 Cc1ccc(c(c1)C)OCC2CCO2 7a_100000211776_100000103362 [0,1,0,1,0,0|2,0,0]=4 21386 B15R2.43839 Cc1ccc(c(c1)C)OCC2COC2 34a_100000211776_100010264016 [0,1,0,1,0,0|2,0,0]=4 21387 B15R2.43839 Cc1ccc(c(c1)C)OCC2COC2 7a_100000211776_100010264016 [0,1,0,1,0,0|2,0,0]=4 21388 B15R2.43839 Cc1ccc(c(c1)Cl)OCC2CCO2 34a_100000749699_100000103362 [0,1,0,1,0,0|2,0,0]=4 21389 B15R2.43839 Cc1ccc(c(c1)Cl)OCC2CCO2 7a_100000749699_100000103362 [0,1,0,1,0,0|2,0,0]=4 21390 B15R2.43839 Cc1ccc(c(c1)Cl)OCC2COC2 34a_100000749699_100010264016 [0,1,0,1,0,0|2,0,0]=4 21391 B15R2.43839 Cc1ccc(c(c1)Cl)OCC2COC2 7a_100000749699_100010264016 [0,1,0,1,0,0|2,0,0]=4 21392 B15R2.43839 Cc1ccc(c(c1)F)OCC2CCO2 34a_100011216688_100000103362 [0,1,0,1,0,0|2,0,0]=4 21393 B15R2.43839 Cc1ccc(c(c1)F)OCC2CCO2 7a_100011216688_100000103362 [0,1,0,1,0,0|2,0,0]=4 21394 B15R2.43839 Cc1ccc(c(c1)F)OCC2COC2 34a_100011216688_100010264016 [0,1,0,1,0,0|2,0,0]=4 21395 B15R2.43839 Cc1ccc(c(c1)F)OCC2COC2 7a_100011216688_100010264016 [0,1,0,1,0,0|2,0,0]=4 21396 B15R2.43839 Cc1ccc(c(c1)I)OCC2CCO2 34a_100000765521_100000103362 [0,1,0,1,0,0|2,0,0]=4 21397 B15R2.43839 Cc1ccc(c(c1)I)OCC2CCO2 7a_100000765521_100000103362 [0,1,0,1,0,0|2,0,0]=4 21398 B15R2.43839 Cc1ccc(c(c1)I)OCC2COC2 34a_100000765521_100010264016 [0,1,0,1,0,0|2,0,0]=4 21399 B15R2.43839 Cc1ccc(c(c1)I)OCC2COC2 7a_100000765521_100010264016 [0,1,0,1,0,0|2,0,0]=4 21400 B15R2.43839 Cc1ccc(c(c1)N)OCC2CCO2 34a_100011215204_100000103362 [0,1,0,1,0,0|2,0,0]=4 21401 B15R2.43839 Cc1ccc(c(c1)N)OCC2CCO2 7a_100011215204_100000103362 [0,1,0,1,0,0|2,0,0]=4 21402 B15R2.43839 Cc1ccc(c(c1)N)OCC2COC2 34a_100011215204_100010264016 [0,1,0,1,0,0|2,0,0]=4 21403 B15R2.43839 Cc1ccc(c(c1)N)OCC2COC2 7a_100011215204_100010264016 [0,1,0,1,0,0|2,0,0]=4 21404 B15R2.43839 Cc1nc(ccc1OCC2CCO2)Cl 34a_100012184626_100000103362 [0,1,0,1,0,0|2,0,0]=4 21405 B15R2.43839 Cc1nc(ccc1OCC2CCO2)Cl 7a_100012184626_100000103362 [0,1,0,1,0,0|2,0,0]=4 21406 B15R2.43839 Cc1nc(ccc1OCC2COC2)Cl 34a_100012184626_100010264016 [0,1,0,1,0,0|2,0,0]=4 21407 B15R2.43839 Cc1nc(ccc1OCC2COC2)Cl 7a_100012184626_100010264016 [0,1,0,1,0,0|2,0,0]=4 21408 B15R2.43839 Clc1cc(c(cn1)OCC2CCO2)Cl 34a_100009868576_100000103362 [0,1,0,1,0,0|2,0,0]=4 21409 B15R2.43839 Clc1cc(c(cn1)OCC2CCO2)Cl 7a_100009868576_100000103362 [0,1,0,1,0,0|2,0,0]=4 21410 B15R2.43839 Clc1cc(c(cn1)OCC2CCO2)I 34a_100000698892_100000103362 [0,1,0,1,0,0|2,0,0]=4 21411 B15R2.43839 Clc1cc(c(cn1)OCC2CCO2)I 7a_100000698892_100000103362 [0,1,0,1,0,0|2,0,0]=4 21412 B15R2.43839 Clc1cc(c(cn1)OCC2COC2)Cl 34a_100009868576_100010264016 [0,1,0,1,0,0|2,0,0]=4 21413 B15R2.43839 Clc1cc(c(cn1)OCC2COC2)Cl 7a_100009868576_100010264016 [0,1,0,1,0,0|2,0,0]=4 21414 B15R2.43839 Clc1cc(c(cn1)OCC2COC2)I 34a_100000698892_100010264016 [0,1,0,1,0,0|2,0,0]=4 21415 B15R2.43839 Clc1cc(c(cn1)OCC2COC2)I 7a_100000698892_100010264016 [0,1,0,1,0,0|2,0,0]=4 21416 B15R2.43839 Clc1cc(ccc1OCC2CCO2)Br 34a_100000186472_100000103362 [0,1,0,1,0,0|1,1,0]=4 21417 B15R2.43839 Clc1cc(ccc1OCC2CCO2)Br 7a_100000186472_100000103362 [0,1,0,1,0,0|1,1,0]=4 21418 B15R2.43839 Clc1cc(ccc1OCC2CCO2)I 34a_100012360047_100000103362 [0,1,0,1,0,0|1,1,0]=4 21419 B15R2.43839 Clc1cc(ccc1OCC2CCO2)I 7a_100012360047_100000103362 [0,1,0,1,0,0|1,1,0]=4 21420 B15R2.43839 Clc1cc(ccc1OCC2COC2)Br 34a_100000186472_100010264016 [0,1,0,1,0,0|1,1,0]=4 21421 B15R2.43839 Clc1cc(ccc1OCC2COC2)Br 7a_100000186472_100010264016 [0,1,0,1,0,0|1,1,0]=4 21422 B15R2.43839 Clc1cc(ccc1OCC2COC2)I 34a_100012360047_100010264016 [0,1,0,1,0,0|1,1,0]=4 21423 B15R2.43839 Clc1cc(ccc1OCC2COC2)I 7a_100012360047_100010264016 [0,1,0,1,0,0|1,1,0]=4 21424 B15R2.43839 Clc1ccc(c(c1)Br)NCC2CCO2 34a_100000752454_100000103362 [0,1,0,1,0,0|2,0,0]=4 21425 B15R2.43839 Clc1ccc(c(c1)Br)NCC2COC2 34a_100000752454_100010264016 [0,1,0,1,0,0|2,0,0]=4 21426 B15R2.43839 Clc1ccc(c(c1)Br)OCC2CCC2 34a_100000211998_100000763275 [0,1,0,1,0,0|2,0,0]=4 21427 B15R2.43839 Clc1ccc(c(c1)Br)OCC2CCC2 7a_100000211998_100000763275 [0,1,0,1,0,0|2,0,0]=4 21428 B15R2.43839 Clc1ccc(c(c1)Br)OCC2CCO2 34a_100000211998_100000103362 [0,1,0,1,0,0|1,0,0]=3 21429 B15R2.43839 Clc1ccc(c(c1)Br)OCC2CCO2 7a_100000211998_100000103362 [0,1,0,1,0,0|1,0,0]=3 21430 B15R2.43839 Clc1ccc(c(c1)Br)OCC2COC2 34a_100000211998_100010264016 [0,1,0,1,0,0|1,0,0]=3 21431 B15R2.43839 Clc1ccc(c(c1)Br)OCC2COC2 7a_100000211998_100010264016 [0,1,0,1,0,0|1,0,0]=3 21432 B15R2.43839 Clc1ccc(c(c1)Br)SCC2CCO2 62a_100000103362_100011219703 [0,1,0,1,0,0|1,1,0]=4 21433 B15R2.43839 Clc1ccc(c(c1)Br)SCC2CCO2 62a_100011219703_100000103362 [0,1,0,1,0,0|1,1,0]=4 21434 B15R2.43839 Clc1ccc(c(c1)Br)SCC2COC2 62a_100010264016_100011219703 [0,1,0,1,0,0|1,1,0]=4 21435 B15R2.43839 Clc1ccc(c(c1)Br)SCC2COC2 62a_100011219703_100010264016 [0,1,0,1,0,0|1,1,0]=4 21436 B15R2.43839 Clc1ccc(c(c1)Cl)NCC2CCO2 34a_100000185861_100000103362 [0,1,0,1,0,0|2,0,0]=4 21437 B15R2.43839 Clc1ccc(c(c1)Cl)NCC2COC2 34a_100000185861_100010264016 [0,1,0,1,0,0|2,0,0]=4 21438 B15R2.43839 Clc1ccc(c(c1)Cl)OCC2CCC2 34a_100015191787_100000763275 [0,1,0,1,0,0|2,0,0]=4 21439 B15R2.43839 Clc1ccc(c(c1)Cl)OCC2CCC2 7a_100015191787_100000763275 [0,1,0,1,0,0|2,0,0]=4 21440 B15R2.43839 Clc1ccc(c(c1)Cl)OCC2CCO2 34a_100015191787_100000103362 [0,1,0,1,0,0|1,0,0]=3 21441 B15R2.43839 Clc1ccc(c(c1)Cl)OCC2CCO2 7a_100015191787_100000103362 [0,1,0,1,0,0|1,0,0]=3 21442 B15R2.43839 Clc1ccc(c(c1)Cl)OCC2COC2 34a_100015191787_100010264016 [0,1,0,1,0,0|1,0,0]=3 21443 B15R2.43839 Clc1ccc(c(c1)Cl)OCC2COC2 7a_100015191787_100010264016 [0,1,0,1,0,0|1,0,0]=3 21444 B15R2.43839 Clc1ccc(c(c1)Cl)SCC2CCO2 62a_100000103362_100000699841 [0,1,0,1,0,0|1,1,0]=4 21445 B15R2.43839 Clc1ccc(c(c1)Cl)SCC2CCO2 62a_100000699841_100000103362 [0,1,0,1,0,0|1,1,0]=4 21446 B15R2.43839 Clc1ccc(c(c1)Cl)SCC2COC2 62a_100000699841_100010264016 [0,1,0,1,0,0|1,1,0]=4 21447 B15R2.43839 Clc1ccc(c(c1)Cl)SCC2COC2 62a_100010264016_100000699841 [0,1,0,1,0,0|1,1,0]=4 21448 B15R2.43839 Clc1ccc(c(c1)I)NCC2CCO2 34a_100000761889_100000103362 [0,1,0,1,0,0|2,0,0]=4 21449 B15R2.43839 Clc1ccc(c(c1)I)NCC2COC2 34a_100000761889_100010264016 [0,1,0,1,0,0|2,0,0]=4 21450 B15R2.43839 Clc1ccc(c(c1)I)OCC2CCC2 34a_100011356953_100000763275 [0,1,0,1,0,0|2,0,0]=4 21451 B15R2.43839 Clc1ccc(c(c1)I)OCC2CCC2 7a_100011356953_100000763275 [0,1,0,1,0,0|2,0,0]=4 21452 B15R2.43839 Clc1ccc(c(c1)I)OCC2CCO2 34a_100011356953_100000103362 [0,1,0,1,0,0|1,0,0]=3 21453 B15R2.43839 Clc1ccc(c(c1)I)OCC2CCO2 7a_100011356953_100000103362 [0,1,0,1,0,0|1,0,0]=3 21454 B15R2.43839 Clc1ccc(c(c1)I)OCC2COC2 34a_100011356953_100010264016 [0,1,0,1,0,0|1,0,0]=3 21455 B15R2.43839 Clc1ccc(c(c1)I)OCC2COC2 7a_100011356953_100010264016 [0,1,0,1,0,0|1,0,0]=3 21456 B15R2.43839 Clc1ccc(c(n1)Br)OCC2CCO2 34a_100010219353_100000103362 [0,1,0,1,0,0|2,0,0]=4 21457 B15R2.43839 Clc1ccc(c(n1)Br)OCC2CCO2 7a_100010219353_100000103362 [0,1,0,1,0,0|2,0,0]=4 21458 B15R2.43839 Clc1ccc(c(n1)Br)OCC2COC2 34a_100010219353_100010264016 [0,1,0,1,0,0|2,0,0]=4 21459 B15R2.43839 Clc1ccc(c(n1)Br)OCC2COC2 7a_100010219353_100010264016 [0,1,0,1,0,0|2,0,0]=4 21460 B15R2.43839 Clc1ccc(c(n1)Cl)OCC2CCO2 34a_100000101165_100000103362 [0,1,0,1,0,0|2,0,0]=4 21461 B15R2.43839 Clc1ccc(c(n1)Cl)OCC2CCO2 7a_100000101165_100000103362 [0,1,0,1,0,0|2,0,0]=4 21462 B15R2.43839 Clc1ccc(c(n1)Cl)OCC2COC2 34a_100000101165_100010264016 [0,1,0,1,0,0|2,0,0]=4 21463 B15R2.43839 Clc1ccc(c(n1)Cl)OCC2COC2 7a_100000101165_100010264016 [0,1,0,1,0,0|2,0,0]=4 21464 B15R2.43839 Clc1ccc(c(n1)I)OCC2CCO2 34a_100000696390_100000103362 [0,1,0,1,0,0|2,0,0]=4 21465 B15R2.43839 Clc1ccc(c(n1)I)OCC2CCO2 7a_100000696390_100000103362 [0,1,0,1,0,0|2,0,0]=4 21466 B15R2.43839 Clc1ccc(c(n1)I)OCC2COC2 34a_100000696390_100010264016 [0,1,0,1,0,0|2,0,0]=4 21467 B15R2.43839 Clc1ccc(c(n1)I)OCC2COC2 7a_100000696390_100010264016 [0,1,0,1,0,0|2,0,0]=4 21468 B15R2.43839 Fc1cc(ccc1NCC2CCO2)Cl 34a_100000211020_100000103362 [0,1,0,1,0,0|2,0,0]=4 21469 B15R2.43839 Fc1cc(ccc1NCC2COC2)Cl 34a_100000211020_100010264016 [0,1,0,1,0,0|2,0,0]=4 21470 B15R2.43839 Fc1cc(ccc1OCC2CCC2)Cl 34a_100000230166_100000763275 [0,1,0,1,0,0|2,0,0]=4 21471 B15R2.43839 Fc1cc(ccc1OCC2CCC2)Cl 7a_100000230166_100000763275 [0,1,0,1,0,0|2,0,0]=4 21472 B15R2.43839 Fc1cc(ccc1OCC2CCO2)Br 34a_100000185481_100000103362 [0,1,0,1,0,0|1,1,0]=4 21473 B15R2.43839 Fc1cc(ccc1OCC2CCO2)Br 7a_100000185481_100000103362 [0,1,0,1,0,0|1,1,0]=4 21474 B15R2.43839 Fc1cc(ccc1OCC2CCO2)Cl 34a_100000230166_100000103362 [0,1,0,1,0,0|1,0,0]=3 21475 B15R2.43839 Fc1cc(ccc1OCC2CCO2)Cl 7a_100000230166_100000103362 [0,1,0,1,0,0|1,0,0]=3 21476 B15R2.43839 Fc1cc(ccc1OCC2CCO2)I 34a_100011356965_100000103362 [0,1,0,1,0,0|1,1,0]=4 21477 B15R2.43839 Fc1cc(ccc1OCC2CCO2)I 7a_100011356965_100000103362 [0,1,0,1,0,0|1,1,0]=4 21478 B15R2.43839 Fc1cc(ccc1OCC2COC2)Br 34a_100000185481_100010264016 [0,1,0,1,0,0|1,1,0]=4 21479 B15R2.43839 Fc1cc(ccc1OCC2COC2)Br 7a_100000185481_100010264016 [0,1,0,1,0,0|1,1,0]=4 21480 B15R2.43839 Fc1cc(ccc1OCC2COC2)Cl 34a_100000230166_100010264016 [0,1,0,1,0,0|1,0,0]=3 21481 B15R2.43839 Fc1cc(ccc1OCC2COC2)Cl 7a_100000230166_100010264016 [0,1,0,1,0,0|1,0,0]=3 21482 B15R2.43839 Fc1cc(ccc1OCC2COC2)I 34a_100011356965_100010264016 [0,1,0,1,0,0|1,1,0]=4 21483 B15R2.43839 Fc1cc(ccc1OCC2COC2)I 7a_100011356965_100010264016 [0,1,0,1,0,0|1,1,0]=4 21484 B15R2.43839 Fc1cc(ccc1SCC2CCO2)Cl 62a_100000103362_100011216042 [0,1,0,1,0,0|1,1,0]=4 21485 B15R2.43839 Fc1cc(ccc1SCC2CCO2)Cl 62a_100011216042_100000103362 [0,1,0,1,0,0|1,1,0]=4 21486 B15R2.43839 Fc1cc(ccc1SCC2COC2)Cl 62a_100010264016_100011216042 [0,1,0,1,0,0|1,1,0]=4 21487 B15R2.43839 Fc1cc(ccc1SCC2COC2)Cl 62a_100011216042_100010264016 [0,1,0,1,0,0|1,1,0]=4 21488 B15R2.43839 Fc1cc(cnc1OCC2CCO2)Cl 34a_100011998252_100000103362 [0,1,0,1,0,0|2,0,0]=4 21489 B15R2.43839 Fc1cc(cnc1OCC2COC2)Cl 34a_100011998252_100010264016 [0,1,0,1,0,0|2,0,0]=4 21490 B15R2.43839 Fc1ccc(c(c1)Br)OCC2CCO2 34a_100000211999_100000103362 [0,1,0,1,0,0|1,1,0]=4 21491 B15R2.43839 Fc1ccc(c(c1)Br)OCC2CCO2 7a_100000211999_100000103362 [0,1,0,1,0,0|1,1,0]=4 21492 B15R2.43839 Fc1ccc(c(c1)Br)OCC2COC2 34a_100000211999_100010264016 [0,1,0,1,0,0|1,1,0]=4 21493 B15R2.43839 Fc1ccc(c(c1)Br)OCC2COC2 7a_100000211999_100010264016 [0,1,0,1,0,0|1,1,0]=4 21494 B15R2.43839 Fc1ccc(c(c1)Cl)OCC2CCO2 34a_100000212004_100000103362 [0,1,0,1,0,0|1,1,0]=4 21495 B15R2.43839 Fc1ccc(c(c1)Cl)OCC2CCO2 7a_100000212004_100000103362 [0,1,0,1,0,0|1,1,0]=4 21496 B15R2.43839 Fc1ccc(c(c1)Cl)OCC2COC2 34a_100000212004_100010264016 [0,1,0,1,0,0|1,1,0]=4 21497 B15R2.43839 Fc1ccc(c(c1)Cl)OCC2COC2 7a_100000212004_100010264016 [0,1,0,1,0,0|1,1,0]=4 21498 B15R2.43839 Fc1ccc(c(c1)F)OCC2CCO2 34a_100000230127_100000103362 [0,1,0,1,0,0|1,1,0]=4 21499 B15R2.43839 Fc1ccc(c(c1)F)OCC2CCO2 7a_100000230127_100000103362 [0,1,0,1,0,0|1,1,0]=4 21500 B15R2.43839 Fc1ccc(c(c1)F)OCC2COC2 34a_100000230127_100010264016 [0,1,0,1,0,0|1,1,0]=4 21501 B15R2.43839 Fc1ccc(c(c1)F)OCC2COC2 7a_100000230127_100010264016 [0,1,0,1,0,0|1,1,0]=4 21502 B15R2.43839 Fc1ccc(c(c1)I)OCC2CCO2 34a_100012355409_100000103362 [0,1,0,1,0,0|1,1,0]=4 21503 B15R2.43839 Fc1ccc(c(c1)I)OCC2CCO2 7a_100012355409_100000103362 [0,1,0,1,0,0|1,1,0]=4 21504 B15R2.43839 Fc1ccc(c(c1)I)OCC2COC2 34a_100012355409_100010264016 [0,1,0,1,0,0|1,1,0]=4 21505 B15R2.43839 Fc1ccc(c(c1)I)OCC2COC2 7a_100012355409_100010264016 [0,1,0,1,0,0|1,1,0]=4 21506 B15R2.43839 Fc1nc(ccc1OCC2CCO2)Cl 34a_100009880201_100000103362 [0,1,0,1,0,0|2,0,0]=4 21507 B15R2.43839 Fc1nc(ccc1OCC2CCO2)Cl 7a_100009880201_100000103362 [0,1,0,1,0,0|2,0,0]=4 21508 B15R2.43839 Fc1nc(ccc1OCC2COC2)Cl 34a_100009880201_100010264016 [0,1,0,1,0,0|2,0,0]=4 21509 B15R2.43839 Fc1nc(ccc1OCC2COC2)Cl 7a_100009880201_100010264016 [0,1,0,1,0,0|2,0,0]=4 21510 B15R2.43839 Ic1ccc(c(c1)I)OCC2CCO2 7a_100010001573_100000103362 [0,1,0,1,0,0|1,1,0]=4 21511 B15R2.43839 Ic1ccc(c(c1)I)OCC2COC2 7a_100010001573_100010264016 [0,1,0,1,0,0|1,1,0]=4 21512 B15R2.43839 Nc1cc(ccc1OCC2CCC2)Cl 34a_100000210500_100000763275 [0,1,0,1,0,0|2,0,0]=4 21513 B15R2.43839 Nc1cc(ccc1OCC2CCC2)Cl 7a_100000210500_100000763275 [0,1,0,1,0,0|2,0,0]=4 21514 B15R2.43839 Nc1cc(ccc1OCC2CCO2)Br 34a_100000752626_100000103362 [0,1,0,1,0,0|1,1,0]=4 21515 B15R2.43839 Nc1cc(ccc1OCC2CCO2)Br 7a_100000752626_100000103362 [0,1,0,1,0,0|1,1,0]=4 21516 B15R2.43839 Nc1cc(ccc1OCC2CCO2)Cl 34a_100000210500_100000103362 [0,1,0,1,0,0|1,0,0]=3 21517 B15R2.43839 Nc1cc(ccc1OCC2CCO2)Cl 7a_100000210500_100000103362 [0,1,0,1,0,0|1,0,0]=3 21518 B15R2.43839 Nc1cc(ccc1OCC2CCO2)F 34a_100000759472_100000103362 [0,1,0,1,0,0|1,1,0]=4 21519 B15R2.43839 Nc1cc(ccc1OCC2CCO2)F 7a_100000759472_100000103362 [0,1,0,1,0,0|1,1,0]=4 21520 B15R2.43839 Nc1cc(ccc1OCC2CCO2)I 34a_100000753495_100000103362 [0,1,0,1,0,0|1,1,0]=4 21521 B15R2.43839 Nc1cc(ccc1OCC2CCO2)I 7a_100000753495_100000103362 [0,1,0,1,0,0|1,1,0]=4 21522 B15R2.43839 Nc1cc(ccc1OCC2COC2)Br 34a_100000752626_100010264016 [0,1,0,1,0,0|1,1,0]=4 21523 B15R2.43839 Nc1cc(ccc1OCC2COC2)Br 7a_100000752626_100010264016 [0,1,0,1,0,0|1,1,0]=4 21524 B15R2.43839 Nc1cc(ccc1OCC2COC2)Cl 34a_100000210500_100010264016 [0,1,0,1,0,0|1,0,0]=3 21525 B15R2.43839 Nc1cc(ccc1OCC2COC2)Cl 7a_100000210500_100010264016 [0,1,0,1,0,0|1,0,0]=3 21526 B15R2.43839 Nc1cc(ccc1OCC2COC2)F 34a_100000759472_100010264016 [0,1,0,1,0,0|1,1,0]=4 21527 B15R2.43839 Nc1cc(ccc1OCC2COC2)F 7a_100000759472_100010264016 [0,1,0,1,0,0|1,1,0]=4 21528 B15R2.43839 Nc1cc(ccc1OCC2COC2)I 34a_100000753495_100010264016 [0,1,0,1,0,0|1,1,0]=4 21529 B15R2.43839 Nc1cc(ccc1OCC2COC2)I 7a_100000753495_100010264016 [0,1,0,1,0,0|1,1,0]=4 21530 B15R2.43839 Nc1cc(ccc1SCC2CCO2)Cl 62a_100000103362_100000761886 [0,1,0,1,0,0|1,1,0]=4 21531 B15R2.43839 Nc1cc(ccc1SCC2CCO2)Cl 62a_100000761886_100000103362 [0,1,0,1,0,0|1,1,0]=4 21532 B15R2.43839 Nc1cc(ccc1SCC2COC2)Cl 62a_100000761886_100010264016 [0,1,0,1,0,0|1,1,0]=4 21533 B15R2.43839 Nc1cc(ccc1SCC2COC2)Cl 62a_100010264016_100000761886 [0,1,0,1,0,0|1,1,0]=4 21534 B15R2.43839 Nc1cc(cnc1OCC2CCO2)Cl 34a_100011998249_100000103362 [0,1,0,1,0,0|2,0,0]=4 21535 B15R2.43839 Nc1cc(cnc1OCC2COC2)Cl 34a_100011998249_100010264016 [0,1,0,1,0,0|2,0,0]=4 21536 B15R2.43839 Nc1ccc(c(c1)Br)OCC2CCO2 34a_100011534360_100000103362 [0,1,0,1,0,0|2,0,0]=4 21537 B15R2.43839 Nc1ccc(c(c1)Br)OCC2CCO2 7a_100011534360_100000103362 [0,1,0,1,0,0|2,0,0]=4 21538 B15R2.43839 Nc1ccc(c(c1)Br)OCC2COC2 34a_100011534360_100010264016 [0,1,0,1,0,0|2,0,0]=4 21539 B15R2.43839 Nc1ccc(c(c1)Br)OCC2COC2 7a_100011534360_100010264016 [0,1,0,1,0,0|2,0,0]=4 21540 B15R2.43839 Nc1ccc(c(c1)Cl)OCC2CCO2 34a_100000744943_100000103362 [0,1,0,1,0,0|2,0,0]=4 21541 B15R2.43839 Nc1ccc(c(c1)Cl)OCC2CCO2 7a_100000744943_100000103362 [0,1,0,1,0,0|2,0,0]=4 21542 B15R2.43839 Nc1ccc(c(c1)Cl)OCC2COC2 34a_100000744943_100010264016 [0,1,0,1,0,0|2,0,0]=4 21543 B15R2.43839 Nc1ccc(c(c1)Cl)OCC2COC2 7a_100000744943_100010264016 [0,1,0,1,0,0|2,0,0]=4 21544 B15R2.43839 Nc1ccc(c(c1)F)OCC2CCO2 34a_100011220035_100000103362 [0,1,0,1,0,0|2,0,0]=4 21545 B15R2.43839 Nc1ccc(c(c1)F)OCC2CCO2 7a_100011220035_100000103362 [0,1,0,1,0,0|2,0,0]=4 21546 B15R2.43839 Nc1ccc(c(c1)F)OCC2COC2 34a_100011220035_100010264016 [0,1,0,1,0,0|2,0,0]=4 21547 B15R2.43839 Nc1ccc(c(c1)F)OCC2COC2 7a_100011220035_100010264016 [0,1,0,1,0,0|2,0,0]=4 21548 B15R2.43839 Nc1ccc(c(c1)N)OCC2CCO2 34a_100000725306_100000103362 [0,1,0,1,0,0|2,0,0]=4 21549 B15R2.43839 Nc1ccc(c(c1)N)OCC2COC2 34a_100000725306_100010264016 [0,1,0,1,0,0|2,0,0]=4 21550 B15R2.43839 Nc1nc(ccc1OCC2CCO2)Cl 34a_100000717809_100000103362 [0,1,0,1,0,0|2,0,0]=4 21551 B15R2.43839 Nc1nc(ccc1OCC2CCO2)Cl 7a_100000717809_100000103362 [0,1,0,1,0,0|2,0,0]=4 21552 B15R2.43839 Nc1nc(ccc1OCC2COC2)Cl 34a_100000717809_100010264016 [0,1,0,1,0,0|2,0,0]=4 21553 B15R2.43839 Nc1nc(ccc1OCC2COC2)Cl 7a_100000717809_100010264016 [0,1,0,1,0,0|2,0,0]=4 21554 B15R2.43839 Oc1cc(ccc1NCC2CCO2)Cl 34a_100000185728_100000103362 [0,1,0,1,0,0|2,0,0]=4 21555 B15R2.43839 Oc1cc(ccc1NCC2COC2)Cl 34a_100000185728_100010264016 [0,1,0,1,0,0|2,0,0]=4 21556 B15R2.43839 Oc1cc(ccc1SCC2CCO2)Cl 62a_100000050036_100000103362 [0,1,0,1,0,0|1,1,0]=4 21557 B15R2.43839 Oc1cc(ccc1SCC2CCO2)Cl 62a_100000103362_100000050036 [0,1,0,1,0,0|1,1,0]=4 21558 B15R2.43839 Oc1cc(ccc1SCC2COC2)Cl 62a_100000050036_100010264016 [0,1,0,1,0,0|1,1,0]=4 21559 B15R2.43839 Oc1cc(ccc1SCC2COC2)Cl 62a_100010264016_100000050036 [0,1,0,1,0,0|1,1,0]=4 21560 B15R2.1524 CC1(CO1)CNc2ccc(c(c2)Br)Cl 34a_100000686031_100000760498 [0,1,0,1,0,0|2,0,0]=4 21561 B15R2.1524 CC1(CO1)CNc2ccc(c(c2)Cl)Cl 34a_100000184108_100000760498 [0,1,0,1,0,0|2,0,0]=4 21562 B15R2.1524 CC1(CO1)CNc2ccc(c(c2)F)Cl 34a_100000739366_100000760498 [0,1,0,1,0,0|2,0,0]=4 21563 B15R2.1524 CC1(CO1)CNc2ccc(c(c2)I)Cl 34a_100012360549_100000760498 [0,1,0,1,0,0|2,0,0]=4 21564 B15R2.1524 CC1(CO1)CNc2ccc(c(c2)O)Cl 34a_100011934209_100000760498 [0,1,0,1,0,0|2,0,0]=4 21565 B15R2.1524 CC1(CO1)COc2cc(c(cn2)Cl)Cl 34a_200000099200_100000760498 [0,1,0,1,0,0|2,0,0]=4 21566 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Br)Cl 34a_100011933957_100000760498 [0,1,0,1,0,0|1,0,0]=3 21567 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Br)F 34a_100000693481_100000760498 [0,1,0,1,0,0|1,1,0]=4 21568 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Br)I 34a_100000701344_100000760498 [0,1,0,1,0,0|1,1,0]=4 21569 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Br)N 34a_100012001276_100000760498 [0,1,0,1,0,0|2,0,0]=4 21570 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Cl)Br 34a_100011215161_100000760498 [0,1,0,1,0,0|1,1,0]=4 21571 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Cl)Cl 34a_100000211054_100000760498 [0,1,0,1,0,0|1,0,0]=3 21572 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Cl)F 34a_100000211030_100000760498 [0,1,0,1,0,0|1,1,0]=4 21573 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Cl)I 34a_100000047559_100000760498 [0,1,0,1,0,0|1,1,0]=4 21574 B15R2.1524 CC1(CO1)COc2ccc(c(c2)Cl)N 34a_100011215599_100000760498 [0,1,0,1,0,0|2,0,0]=4 21575 B15R2.1524 CC1(CO1)COc2ccc(c(c2)F)Br 34a_100000755031_100000760498 [0,1,0,1,0,0|1,1,0]=4 21576 B15R2.1524 CC1(CO1)COc2ccc(c(c2)F)Cl 34a_100000691581_100000760498 [0,1,0,1,0,0|1,0,0]=3 21577 B15R2.1524 CC1(CO1)COc2ccc(c(c2)F)F 34a_100000181275_100000760498 [0,1,0,1,0,0|1,1,0]=4 21578 B15R2.1524 CC1(CO1)COc2ccc(c(c2)F)I 34a_100009990212_100000760498 [0,1,0,1,0,0|1,1,0]=4 21579 B15R2.1524 CC1(CO1)COc2ccc(c(c2)F)N 34a_100000759473_100000760498 [0,1,0,1,0,0|2,0,0]=4 21580 B15R2.1524 CC1(CO1)COc2ccc(c(c2)I)Br 34a_100012339312_100000760498 [0,1,0,1,0,0|1,1,0]=4 21581 B15R2.1524 CC1(CO1)COc2ccc(c(c2)I)Cl 34a_100000049588_100000760498 [0,1,0,1,0,0|1,0,0]=3 21582 B15R2.1524 CC1(CO1)COc2ccc(c(c2)I)N 34a_100010084370_100000760498 [0,1,0,1,0,0|2,0,0]=4 21583 B15R2.1524 CC1(CO1)COc2ccc(c(c2)N)Br 34a_100011999798_100000760498 [0,1,0,1,0,0|1,1,0]=4 21584 B15R2.1524 CC1(CO1)COc2ccc(c(c2)N)Cl 34a_100011934297_100000760498 [0,1,0,1,0,0|1,0,0]=3 21585 B15R2.1524 CC1(CO1)COc2ccc(c(c2)N)F 34a_100012017239_100000760498 [0,1,0,1,0,0|1,1,0]=4 21586 B15R2.1524 CC1(CO1)COc2ccc(c(c2)N)N 34a_100025771000_100000760498 [0,1,0,1,0,0|2,0,0]=4 21587 B15R2.1524 CC1(CO1)COc2cnc(c(c2)Br)Cl 34a_100012356455_100000760498 [0,1,0,1,0,0|2,0,0]=4 21588 B15R2.1524 CC1(CO1)COc2cnc(c(c2)Cl)Cl 34a_100000094354_100000760498 [0,1,0,1,0,0|2,0,0]=4 21589 B15R2.1524 CC1(CO1)COc2cnc(c(c2)F)Cl 34a_100000063512_100000760498 [0,1,0,1,0,0|2,0,0]=4 21590 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)Br)Cl 62a_100000760498_100012353702 [0,1,0,1,0,0|1,1,0]=4 21591 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)Br)Cl 62a_100012353702_100000760498 [0,1,0,1,0,0|1,1,0]=4 21592 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)Cl)Cl 62a_100000760498_100011214914 [0,1,0,1,0,0|1,1,0]=4 21593 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)Cl)Cl 62a_100011214914_100000760498 [0,1,0,1,0,0|1,1,0]=4 21594 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)F)Cl 62a_100000760498_100011216805 [0,1,0,1,0,0|1,1,0]=4 21595 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)F)Cl 62a_100011216805_100000760498 [0,1,0,1,0,0|1,1,0]=4 21596 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)N)Cl 62a_100000760498_200000761891 [0,1,0,1,0,0|1,1,0]=4 21597 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)N)Cl 62a_200000761891_100000760498 [0,1,0,1,0,0|1,1,0]=4 21598 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)O)Cl 62a_100000760498_100011356854 [0,1,0,1,0,0|1,1,0]=4 21599 B15R2.1524 CC1(CO1)CSc2ccc(c(c2)O)Cl 62a_100011356854_100000760498 [0,1,0,1,0,0|1,1,0]=4 21600 B15R2.1524 Cc1cc(ccc1Br)OCC2(CO2)C 34a_100000690111_100000760498 [0,1,0,1,0,0|1,1,0]=4 21601 B15R2.1524 Cc1cc(ccc1Cl)NCC2(CO2)C 34a_100000187808_100000760498 [0,1,0,1,0,0|2,0,0]=4 21602 B15R2.1524 Cc1cc(ccc1Cl)OCC2(CO2)C 34a_100000211092_100000760498 [0,1,0,1,0,0|1,0,0]=3 21603 B15R2.1524 Cc1cc(ccc1Cl)SCC2(CO2)C 62a_100000049509_100000760498 [0,1,0,1,0,0|1,1,0]=4 21604 B15R2.1524 Cc1cc(ccc1Cl)SCC2(CO2)C 62a_100000760498_100000049509 [0,1,0,1,0,0|1,1,0]=4 21605 B15R2.1524 Cc1cc(ccc1F)OCC2(CO2)C 34a_100000751312_100000760498 [0,1,0,1,0,0|1,1,0]=4 21606 B15R2.1524 Cc1cc(ccc1I)OCC2(CO2)C 34a_100000729255_100000760498 [0,1,0,1,0,0|1,1,0]=4 21607 B15R2.1524 Cc1cc(ccc1N)OCC2(CO2)C 34a_100000756630_100000760498 [0,1,0,1,0,0|2,0,0]=4 21608 B15R2.1524 Cc1cc(cnc1Cl)OCC2(CO2)C 34a_100012002680_100000760498 [0,1,0,1,0,0|2,0,0]=4 21609 B15R2.1524 Cc1cc(ncc1Cl)OCC2(CO2)C 34a_200000085746_100000760498 [0,1,0,1,0,0|2,0,0]=4 21610 B15R2.1524 Cc1ccc(cc1Br)OCC2(CO2)C 34a_100011380479_100000760498 [0,1,0,1,0,0|2,0,0]=4 21611 B15R2.1524 Cc1ccc(cc1C)OCC2(CO2)C 34a_100000210932_100000760498 [0,1,0,1,0,0|2,0,0]=4 21612 B15R2.1524 Cc1ccc(cc1Cl)OCC2(CO2)C 34a_100011265682_100000760498 [0,1,0,1,0,0|2,0,0]=4 21613 B15R2.1524 Cc1ccc(cc1F)OCC2(CO2)C 34a_100000722560_100000760498 [0,1,0,1,0,0|2,0,0]=4 21614 B15R2.1524 Cc1ccc(cc1N)OCC2(CO2)C 34a_100011216113_100000760498 [0,1,0,1,0,0|2,0,0]=4 21615 B15R2.1524 Cc1nc(ccc1Cl)OCC2(CO2)C 34a_200009863735_100000760498 [0,1,0,1,0,0|2,0,0]=4 21616 B15R2.18973 Brc1cc(ccc1I)OCC2CCO2 34a_100000701344_100000103362 [0,1,0,1,0,0|1,1,0]=4 21617 B15R2.18973 Brc1cc(ccc1I)OCC2CCO2 7a_100000701344_100000103362 [0,1,0,1,0,0|1,1,0]=4 21618 B15R2.18973 Brc1cc(ccc1I)OCC2COC2 34a_100000701344_100010264016 [0,1,0,1,0,0|1,1,0]=4 21619 B15R2.18973 Brc1cc(ccc1I)OCC2COC2 7a_100000701344_100010264016 [0,1,0,1,0,0|1,1,0]=4 21620 B15R2.18973 Brc1ccc(cc1I)OCC2CCO2 34a_100012339312_100000103362 [0,1,0,1,0,0|1,1,0]=4 21621 B15R2.18973 Brc1ccc(cc1I)OCC2CCO2 7a_100012339312_100000103362 [0,1,0,1,0,0|1,1,0]=4 21622 B15R2.18973 Brc1ccc(cc1I)OCC2COC2 34a_100012339312_100010264016 [0,1,0,1,0,0|1,1,0]=4 21623 B15R2.18973 Brc1ccc(cc1I)OCC2COC2 7a_100012339312_100010264016 [0,1,0,1,0,0|1,1,0]=4 21624 B15R2.18973 Cc1cc(ccc1Br)OCC2CCO2 34a_100000690111_100000103362 [0,1,0,1,0,0|1,1,0]=4 21625 B15R2.18973 Cc1cc(ccc1Br)OCC2CCO2 7a_100000690111_100000103362 [0,1,0,1,0,0|1,1,0]=4 21626 B15R2.18973 Cc1cc(ccc1Br)OCC2COC2 34a_100000690111_100010264016 [0,1,0,1,0,0|1,1,0]=4 21627 B15R2.18973 Cc1cc(ccc1Br)OCC2COC2 7a_100000690111_100010264016 [0,1,0,1,0,0|1,1,0]=4 21628 B15R2.18973 Cc1cc(ccc1Cl)NCC2CCO2 2230a_100000187808_100000103362 [0,1,0,1,0,0|2,0,0]=4 21629 B15R2.18973 Cc1cc(ccc1Cl)NCC2CCO2 34a_100000187808_100000103362 [0,1,0,1,0,0|2,0,0]=4 21630 B15R2.18973 Cc1cc(ccc1Cl)NCC2CCO2 7a_100000187808_100000103362 [0,1,0,1,0,0|2,0,0]=4 21631 B15R2.18973 Cc1cc(ccc1Cl)NCC2COC2 2230a_100000187808_100010264016 [0,1,0,1,0,0|2,0,0]=4 21632 B15R2.18973 Cc1cc(ccc1Cl)NCC2COC2 34a_100000187808_100010264016 [0,1,0,1,0,0|2,0,0]=4 21633 B15R2.18973 Cc1cc(ccc1Cl)NCC2COC2 7a_100000187808_100010264016 [0,1,0,1,0,0|2,0,0]=4 21634 B15R2.18973 Cc1cc(ccc1Cl)OCC2CCC2 34a_100000211092_100000763275 [0,1,0,1,0,0|2,0,0]=4 21635 B15R2.18973 Cc1cc(ccc1Cl)OCC2CCC2 7a_100000211092_100000763275 [0,1,0,1,0,0|2,0,0]=4 21636 B15R2.18973 Cc1cc(ccc1Cl)OCC2CCO2 34a_100000211092_100000103362 [0,1,0,1,0,0|1,0,0]=3 21637 B15R2.18973 Cc1cc(ccc1Cl)OCC2CCO2 7a_100000211092_100000103362 [0,1,0,1,0,0|1,0,0]=3 21638 B15R2.18973 Cc1cc(ccc1Cl)OCC2COC2 34a_100000211092_100010264016 [0,1,0,1,0,0|1,0,0]=3 21639 B15R2.18973 Cc1cc(ccc1Cl)OCC2COC2 7a_100000211092_100010264016 [0,1,0,1,0,0|1,0,0]=3 21640 B15R2.18973 Cc1cc(ccc1Cl)SCC2CCO2 62a_100000049509_100000103362 [0,1,0,1,0,0|1,1,0]=4 21641 B15R2.18973 Cc1cc(ccc1Cl)SCC2CCO2 62a_100000103362_100000049509 [0,1,0,1,0,0|1,1,0]=4 21642 B15R2.18973 Cc1cc(ccc1Cl)SCC2COC2 62a_100000049509_100010264016 [0,1,0,1,0,0|1,1,0]=4 21643 B15R2.18973 Cc1cc(ccc1Cl)SCC2COC2 62a_100010264016_100000049509 [0,1,0,1,0,0|1,1,0]=4 21644 B15R2.18973 Cc1cc(ccc1F)OCC2CCO2 34a_100000751312_100000103362 [0,1,0,1,0,0|1,1,0]=4 21645 B15R2.18973 Cc1cc(ccc1F)OCC2CCO2 7a_100000751312_100000103362 [0,1,0,1,0,0|1,1,0]=4 21646 B15R2.18973 Cc1cc(ccc1F)OCC2COC2 34a_100000751312_100010264016 [0,1,0,1,0,0|1,1,0]=4 21647 B15R2.18973 Cc1cc(ccc1F)OCC2COC2 7a_100000751312_100010264016 [0,1,0,1,0,0|1,1,0]=4 21648 B15R2.18973 Cc1cc(ccc1I)OCC2CCO2 34a_100000729255_100000103362 [0,1,0,1,0,0|1,1,0]=4 21649 B15R2.18973 Cc1cc(ccc1I)OCC2CCO2 7a_100000729255_100000103362 [0,1,0,1,0,0|1,1,0]=4 21650 B15R2.18973 Cc1cc(ccc1I)OCC2COC2 34a_100000729255_100010264016 [0,1,0,1,0,0|1,1,0]=4 21651 B15R2.18973 Cc1cc(ccc1I)OCC2COC2 7a_100000729255_100010264016 [0,1,0,1,0,0|1,1,0]=4 21652 B15R2.18973 Cc1cc(ccc1N)OCC2CCO2 34a_100000756630_100000103362 [0,1,0,1,0,0|2,0,0]=4 21653 B15R2.18973 Cc1cc(ccc1N)OCC2CCO2 7a_100000756630_100000103362 [0,1,0,1,0,0|2,0,0]=4 21654 B15R2.18973 Cc1cc(ccc1N)OCC2COC2 34a_100000756630_100010264016 [0,1,0,1,0,0|2,0,0]=4 21655 B15R2.18973 Cc1cc(ccc1N)OCC2COC2 7a_100000756630_100010264016 [0,1,0,1,0,0|2,0,0]=4 21656 B15R2.18973 Cc1cc(cnc1Cl)OCC2CCO2 34a_100012002680_100000103362 [0,1,0,1,0,0|2,0,0]=4 21657 B15R2.18973 Cc1cc(cnc1Cl)OCC2CCO2 7a_100012002680_100000103362 [0,1,0,1,0,0|2,0,0]=4 21658 B15R2.18973 Cc1cc(cnc1Cl)OCC2COC2 34a_100012002680_100010264016 [0,1,0,1,0,0|2,0,0]=4 21659 B15R2.18973 Cc1cc(cnc1Cl)OCC2COC2 7a_100012002680_100010264016 [0,1,0,1,0,0|2,0,0]=4 21660 B15R2.18973 Cc1cc(ncc1Cl)OCC2CCO2 34a_200000085746_100000103362 [0,1,0,1,0,0|2,0,0]=4 21661 B15R2.18973 Cc1cc(ncc1Cl)OCC2COC2 34a_200000085746_100010264016 [0,1,0,1,0,0|2,0,0]=4 21662 B15R2.18973 Cc1ccc(cc1Br)OCC2CCO2 34a_100011380479_100000103362 [0,1,0,1,0,0|2,0,0]=4 21663 B15R2.18973 Cc1ccc(cc1Br)OCC2CCO2 7a_100011380479_100000103362 [0,1,0,1,0,0|2,0,0]=4 21664 B15R2.18973 Cc1ccc(cc1Br)OCC2COC2 34a_100011380479_100010264016 [0,1,0,1,0,0|2,0,0]=4 21665 B15R2.18973 Cc1ccc(cc1Br)OCC2COC2 7a_100011380479_100010264016 [0,1,0,1,0,0|2,0,0]=4 21666 B15R2.18973 Cc1ccc(cc1C)OCC2CCO2 34a_100000210932_100000103362 [0,1,0,1,0,0|2,0,0]=4 21667 B15R2.18973 Cc1ccc(cc1C)OCC2CCO2 7a_100000210932_100000103362 [0,1,0,1,0,0|2,0,0]=4 21668 B15R2.18973 Cc1ccc(cc1C)OCC2COC2 34a_100000210932_100010264016 [0,1,0,1,0,0|2,0,0]=4 21669 B15R2.18973 Cc1ccc(cc1C)OCC2COC2 7a_100000210932_100010264016 [0,1,0,1,0,0|2,0,0]=4 21670 B15R2.18973 Cc1ccc(cc1Cl)OCC2CCO2 34a_100011265682_100000103362 [0,1,0,1,0,0|2,0,0]=4 21671 B15R2.18973 Cc1ccc(cc1Cl)OCC2CCO2 7a_100011265682_100000103362 [0,1,0,1,0,0|2,0,0]=4 21672 B15R2.18973 Cc1ccc(cc1Cl)OCC2COC2 34a_100011265682_100010264016 [0,1,0,1,0,0|2,0,0]=4 21673 B15R2.18973 Cc1ccc(cc1Cl)OCC2COC2 7a_100011265682_100010264016 [0,1,0,1,0,0|2,0,0]=4 21674 B15R2.18973 Cc1ccc(cc1F)OCC2CCO2 34a_100000722560_100000103362 [0,1,0,1,0,0|2,0,0]=4 21675 B15R2.18973 Cc1ccc(cc1F)OCC2CCO2 7a_100000722560_100000103362 [0,1,0,1,0,0|2,0,0]=4 21676 B15R2.18973 Cc1ccc(cc1F)OCC2COC2 34a_100000722560_100010264016 [0,1,0,1,0,0|2,0,0]=4 21677 B15R2.18973 Cc1ccc(cc1F)OCC2COC2 7a_100000722560_100010264016 [0,1,0,1,0,0|2,0,0]=4 21678 B15R2.18973 Cc1ccc(cc1N)OCC2CCO2 34a_100011216113_100000103362 [0,1,0,1,0,0|2,0,0]=4 21679 B15R2.18973 Cc1ccc(cc1N)OCC2CCO2 7a_100011216113_100000103362 [0,1,0,1,0,0|2,0,0]=4 21680 B15R2.18973 Cc1ccc(cc1N)OCC2COC2 34a_100011216113_100010264016 [0,1,0,1,0,0|2,0,0]=4 21681 B15R2.18973 Cc1ccc(cc1N)OCC2COC2 7a_100011216113_100010264016 [0,1,0,1,0,0|2,0,0]=4 21682 B15R2.18973 Cc1nc(ccc1Cl)OCC2CCO2 34a_200009863735_100000103362 [0,1,0,1,0,0|2,0,0]=4 21683 B15R2.18973 Cc1nc(ccc1Cl)OCC2COC2 34a_200009863735_100010264016 [0,1,0,1,0,0|2,0,0]=4 21684 B15R2.18973 Clc1cc(ccc1Br)OCC2CCO2 34a_100011215161_100000103362 [0,1,0,1,0,0|1,1,0]=4 21685 B15R2.18973 Clc1cc(ccc1Br)OCC2CCO2 7a_100011215161_100000103362 [0,1,0,1,0,0|1,1,0]=4 21686 B15R2.18973 Clc1cc(ccc1Br)OCC2COC2 34a_100011215161_100010264016 [0,1,0,1,0,0|1,1,0]=4 21687 B15R2.18973 Clc1cc(ccc1Br)OCC2COC2 7a_100011215161_100010264016 [0,1,0,1,0,0|1,1,0]=4 21688 B15R2.18973 Clc1cc(ccc1I)OCC2CCO2 34a_100000047559_100000103362 [0,1,0,1,0,0|1,1,0]=4 21689 B15R2.18973 Clc1cc(ccc1I)OCC2CCO2 7a_100000047559_100000103362 [0,1,0,1,0,0|1,1,0]=4 21690 B15R2.18973 Clc1cc(ccc1I)OCC2COC2 34a_100000047559_100010264016 [0,1,0,1,0,0|1,1,0]=4 21691 B15R2.18973 Clc1cc(ccc1I)OCC2COC2 7a_100000047559_100010264016 [0,1,0,1,0,0|1,1,0]=4 21692 B15R2.18973 Clc1cc(cnc1Cl)OCC2CCO2 34a_100000094354_100000103362 [0,1,0,1,0,0|2,0,0]=4 21693 B15R2.18973 Clc1cc(cnc1Cl)OCC2CCO2 7a_100000094354_100000103362 [0,1,0,1,0,0|2,0,0]=4 21694 B15R2.18973 Clc1cc(cnc1Cl)OCC2COC2 34a_100000094354_100010264016 [0,1,0,1,0,0|2,0,0]=4 21695 B15R2.18973 Clc1cc(cnc1Cl)OCC2COC2 7a_100000094354_100010264016 [0,1,0,1,0,0|2,0,0]=4 21696 B15R2.18973 Clc1ccc(cc1Br)NCC2CCO2 2230a_100000686031_100000103362 [0,1,0,1,0,0|2,0,0]=4 21697 B15R2.18973 Clc1ccc(cc1Br)NCC2CCO2 34a_100000686031_100000103362 [0,1,0,1,0,0|2,0,0]=4 21698 B15R2.18973 Clc1ccc(cc1Br)NCC2COC2 2230a_100000686031_100010264016 [0,1,0,1,0,0|2,0,0]=4 21699 B15R2.18973 Clc1ccc(cc1Br)NCC2COC2 34a_100000686031_100010264016 [0,1,0,1,0,0|2,0,0]=4 21700 B15R2.18973 Clc1ccc(cc1Br)OCC2CCC2 34a_100011933957_100000763275 [0,1,0,1,0,0|2,0,0]=4 21701 B15R2.18973 Clc1ccc(cc1Br)OCC2CCC2 7a_100011933957_100000763275 [0,1,0,1,0,0|2,0,0]=4 21702 B15R2.18973 Clc1ccc(cc1Br)OCC2CCO2 34a_100011933957_100000103362 [0,1,0,1,0,0|1,0,0]=3 21703 B15R2.18973 Clc1ccc(cc1Br)OCC2CCO2 7a_100011933957_100000103362 [0,1,0,1,0,0|1,0,0]=3 21704 B15R2.18973 Clc1ccc(cc1Br)OCC2COC2 34a_100011933957_100010264016 [0,1,0,1,0,0|1,0,0]=3 21705 B15R2.18973 Clc1ccc(cc1Br)OCC2COC2 7a_100011933957_100010264016 [0,1,0,1,0,0|1,0,0]=3 21706 B15R2.18973 Clc1ccc(cc1Br)SCC2CCO2 62a_100000103362_100012353702 [0,1,0,1,0,0|1,1,0]=4 21707 B15R2.18973 Clc1ccc(cc1Br)SCC2CCO2 62a_100012353702_100000103362 [0,1,0,1,0,0|1,1,0]=4 21708 B15R2.18973 Clc1ccc(cc1Br)SCC2COC2 62a_100010264016_100012353702 [0,1,0,1,0,0|1,1,0]=4 21709 B15R2.18973 Clc1ccc(cc1Br)SCC2COC2 62a_100012353702_100010264016 [0,1,0,1,0,0|1,1,0]=4 21710 B15R2.18973 Clc1ccc(cc1Cl)NCC2CCO2 2230a_100000184108_100000103362 [0,1,0,1,0,0|2,0,0]=4 21711 B15R2.18973 Clc1ccc(cc1Cl)NCC2CCO2 34a_100000184108_100000103362 [0,1,0,1,0,0|2,0,0]=4 21712 B15R2.18973 Clc1ccc(cc1Cl)NCC2COC2 2230a_100000184108_100010264016 [0,1,0,1,0,0|2,0,0]=4 21713 B15R2.18973 Clc1ccc(cc1Cl)NCC2COC2 34a_100000184108_100010264016 [0,1,0,1,0,0|2,0,0]=4 21714 B15R2.18973 Clc1ccc(cc1Cl)OCC2CCC2 34a_100000211054_100000763275 [0,1,0,1,0,0|2,0,0]=4 21715 B15R2.18973 Clc1ccc(cc1Cl)OCC2CCC2 7a_100000211054_100000763275 [0,1,0,1,0,0|2,0,0]=4 21716 B15R2.18973 Clc1ccc(cc1Cl)OCC2CCO2 34a_100000211054_100000103362 [0,1,0,1,0,0|1,0,0]=3 21717 B15R2.18973 Clc1ccc(cc1Cl)OCC2CCO2 7a_100000211054_100000103362 [0,1,0,1,0,0|1,0,0]=3 21718 B15R2.18973 Clc1ccc(cc1Cl)OCC2COC2 34a_100000211054_100010264016 [0,1,0,1,0,0|1,0,0]=3 21719 B15R2.18973 Clc1ccc(cc1Cl)OCC2COC2 7a_100000211054_100010264016 [0,1,0,1,0,0|1,0,0]=3 21720 B15R2.18973 Clc1ccc(cc1Cl)SCC2CCO2 62a_100000103362_100011214914 [0,1,0,1,0,0|1,1,0]=4 21721 B15R2.18973 Clc1ccc(cc1Cl)SCC2CCO2 62a_100011214914_100000103362 [0,1,0,1,0,0|1,1,0]=4 21722 B15R2.18973 Clc1ccc(cc1Cl)SCC2COC2 62a_100010264016_100011214914 [0,1,0,1,0,0|1,1,0]=4 21723 B15R2.18973 Clc1ccc(cc1Cl)SCC2COC2 62a_100011214914_100010264016 [0,1,0,1,0,0|1,1,0]=4 21724 B15R2.18973 Clc1ccc(cc1I)NCC2CCO2 34a_100012360549_100000103362 [0,1,0,1,0,0|2,0,0]=4 21725 B15R2.18973 Clc1ccc(cc1I)NCC2COC2 34a_100012360549_100010264016 [0,1,0,1,0,0|2,0,0]=4 21726 B15R2.18973 Clc1ccc(cc1I)OCC2CCC2 34a_100000049588_100000763275 [0,1,0,1,0,0|2,0,0]=4 21727 B15R2.18973 Clc1ccc(cc1I)OCC2CCC2 7a_100000049588_100000763275 [0,1,0,1,0,0|2,0,0]=4 21728 B15R2.18973 Clc1ccc(cc1I)OCC2CCO2 34a_100000049588_100000103362 [0,1,0,1,0,0|1,0,0]=3 21729 B15R2.18973 Clc1ccc(cc1I)OCC2CCO2 7a_100000049588_100000103362 [0,1,0,1,0,0|1,0,0]=3 21730 B15R2.18973 Clc1ccc(cc1I)OCC2COC2 34a_100000049588_100010264016 [0,1,0,1,0,0|1,0,0]=3 21731 B15R2.18973 Clc1ccc(cc1I)OCC2COC2 7a_100000049588_100010264016 [0,1,0,1,0,0|1,0,0]=3 21732 B15R2.18973 Clc1cnc(cc1Cl)OCC2CCO2 34a_200000099200_100000103362 [0,1,0,1,0,0|2,0,0]=4 21733 B15R2.18973 Clc1cnc(cc1Cl)OCC2COC2 34a_200000099200_100010264016 [0,1,0,1,0,0|2,0,0]=4 21734 B15R2.18973 Clc1ncc(cc1Br)OCC2CCO2 34a_100012356455_100000103362 [0,1,0,1,0,0|2,0,0]=4 21735 B15R2.18973 Clc1ncc(cc1Br)OCC2CCO2 7a_100012356455_100000103362 [0,1,0,1,0,0|2,0,0]=4 21736 B15R2.18973 Clc1ncc(cc1Br)OCC2COC2 34a_100012356455_100010264016 [0,1,0,1,0,0|2,0,0]=4 21737 B15R2.18973 Clc1ncc(cc1Br)OCC2COC2 7a_100012356455_100010264016 [0,1,0,1,0,0|2,0,0]=4 21738 B15R2.18973 Fc1cc(ccc1Br)OCC2CCO2 34a_100000755031_100000103362 [0,1,0,1,0,0|1,1,0]=4 21739 B15R2.18973 Fc1cc(ccc1Br)OCC2CCO2 7a_100000755031_100000103362 [0,1,0,1,0,0|1,1,0]=4 21740 B15R2.18973 Fc1cc(ccc1Br)OCC2COC2 34a_100000755031_100010264016 [0,1,0,1,0,0|1,1,0]=4 21741 B15R2.18973 Fc1cc(ccc1Br)OCC2COC2 7a_100000755031_100010264016 [0,1,0,1,0,0|1,1,0]=4 21742 B15R2.18973 Fc1cc(ccc1Cl)NCC2CCO2 2230a_100000739366_100000103362 [0,1,0,1,0,0|2,0,0]=4 21743 B15R2.18973 Fc1cc(ccc1Cl)NCC2CCO2 34a_100000739366_100000103362 [0,1,0,1,0,0|2,0,0]=4 21744 B15R2.18973 Fc1cc(ccc1Cl)NCC2CCO2 7a_100000739366_100000103362 [0,1,0,1,0,0|2,0,0]=4 21745 B15R2.18973 Fc1cc(ccc1Cl)NCC2COC2 2230a_100000739366_100010264016 [0,1,0,1,0,0|2,0,0]=4 21746 B15R2.18973 Fc1cc(ccc1Cl)NCC2COC2 34a_100000739366_100010264016 [0,1,0,1,0,0|2,0,0]=4 21747 B15R2.18973 Fc1cc(ccc1Cl)NCC2COC2 7a_100000739366_100010264016 [0,1,0,1,0,0|2,0,0]=4 21748 B15R2.18973 Fc1cc(ccc1Cl)OCC2CCC2 34a_100000691581_100000763275 [0,1,0,1,0,0|2,0,0]=4 21749 B15R2.18973 Fc1cc(ccc1Cl)OCC2CCC2 7a_100000691581_100000763275 [0,1,0,1,0,0|2,0,0]=4 21750 B15R2.18973 Fc1cc(ccc1Cl)OCC2CCO2 34a_100000691581_100000103362 [0,1,0,1,0,0|1,0,0]=3 21751 B15R2.18973 Fc1cc(ccc1Cl)OCC2CCO2 7a_100000691581_100000103362 [0,1,0,1,0,0|1,0,0]=3 21752 B15R2.18973 Fc1cc(ccc1Cl)OCC2COC2 34a_100000691581_100010264016 [0,1,0,1,0,0|1,0,0]=3 21753 B15R2.18973 Fc1cc(ccc1Cl)OCC2COC2 7a_100000691581_100010264016 [0,1,0,1,0,0|1,0,0]=3 21754 B15R2.18973 Fc1cc(ccc1Cl)SCC2CCO2 62a_100000103362_100011216805 [0,1,0,1,0,0|1,1,0]=4 21755 B15R2.18973 Fc1cc(ccc1Cl)SCC2CCO2 62a_100011216805_100000103362 [0,1,0,1,0,0|1,1,0]=4 21756 B15R2.18973 Fc1cc(ccc1Cl)SCC2COC2 62a_100010264016_100011216805 [0,1,0,1,0,0|1,1,0]=4 21757 B15R2.18973 Fc1cc(ccc1Cl)SCC2COC2 62a_100011216805_100010264016 [0,1,0,1,0,0|1,1,0]=4 21758 B15R2.18973 Fc1cc(ccc1I)OCC2CCO2 34a_100009990212_100000103362 [0,1,0,1,0,0|1,1,0]=4 21759 B15R2.18973 Fc1cc(ccc1I)OCC2CCO2 7a_100009990212_100000103362 [0,1,0,1,0,0|1,1,0]=4 21760 B15R2.18973 Fc1cc(ccc1I)OCC2COC2 34a_100009990212_100010264016 [0,1,0,1,0,0|1,1,0]=4 21761 B15R2.18973 Fc1cc(ccc1I)OCC2COC2 7a_100009990212_100010264016 [0,1,0,1,0,0|1,1,0]=4 21762 B15R2.18973 Fc1cc(cnc1Cl)OCC2CCO2 34a_100000063512_100000103362 [0,1,0,1,0,0|2,0,0]=4 21763 B15R2.18973 Fc1cc(cnc1Cl)OCC2CCO2 7a_100000063512_100000103362 [0,1,0,1,0,0|2,0,0]=4 21764 B15R2.18973 Fc1cc(cnc1Cl)OCC2COC2 34a_100000063512_100010264016 [0,1,0,1,0,0|2,0,0]=4 21765 B15R2.18973 Fc1cc(cnc1Cl)OCC2COC2 7a_100000063512_100010264016 [0,1,0,1,0,0|2,0,0]=4 21766 B15R2.18973 Fc1ccc(cc1Br)OCC2CCO2 34a_100000693481_100000103362 [0,1,0,1,0,0|1,1,0]=4 21767 B15R2.18973 Fc1ccc(cc1Br)OCC2CCO2 7a_100000693481_100000103362 [0,1,0,1,0,0|1,1,0]=4 21768 B15R2.18973 Fc1ccc(cc1Br)OCC2COC2 34a_100000693481_100010264016 [0,1,0,1,0,0|1,1,0]=4 21769 B15R2.18973 Fc1ccc(cc1Br)OCC2COC2 7a_100000693481_100010264016 [0,1,0,1,0,0|1,1,0]=4 21770 B15R2.18973 Fc1ccc(cc1Cl)OCC2CCO2 34a_100000211030_100000103362 [0,1,0,1,0,0|1,1,0]=4 21771 B15R2.18973 Fc1ccc(cc1Cl)OCC2CCO2 7a_100000211030_100000103362 [0,1,0,1,0,0|1,1,0]=4 21772 B15R2.18973 Fc1ccc(cc1Cl)OCC2COC2 34a_100000211030_100010264016 [0,1,0,1,0,0|1,1,0]=4 21773 B15R2.18973 Fc1ccc(cc1Cl)OCC2COC2 7a_100000211030_100010264016 [0,1,0,1,0,0|1,1,0]=4 21774 B15R2.18973 Fc1ccc(cc1F)OCC2CCO2 34a_100000181275_100000103362 [0,1,0,1,0,0|1,1,0]=4 21775 B15R2.18973 Fc1ccc(cc1F)OCC2CCO2 7a_100000181275_100000103362 [0,1,0,1,0,0|1,1,0]=4 21776 B15R2.18973 Fc1ccc(cc1F)OCC2COC2 34a_100000181275_100010264016 [0,1,0,1,0,0|1,1,0]=4 21777 B15R2.18973 Fc1ccc(cc1F)OCC2COC2 7a_100000181275_100010264016 [0,1,0,1,0,0|1,1,0]=4 21778 B15R2.18973 Nc1cc(ccc1Br)OCC2CCO2 34a_100011999798_100000103362 [0,1,0,1,0,0|1,1,0]=4 21779 B15R2.18973 Nc1cc(ccc1Br)OCC2CCO2 7a_100011999798_100000103362 [0,1,0,1,0,0|1,1,0]=4 21780 B15R2.18973 Nc1cc(ccc1Br)OCC2COC2 34a_100011999798_100010264016 [0,1,0,1,0,0|1,1,0]=4 21781 B15R2.18973 Nc1cc(ccc1Br)OCC2COC2 7a_100011999798_100010264016 [0,1,0,1,0,0|1,1,0]=4 21782 B15R2.18973 Nc1cc(ccc1Cl)OCC2CCC2 34a_100011934297_100000763275 [0,1,0,1,0,0|2,0,0]=4 21783 B15R2.18973 Nc1cc(ccc1Cl)OCC2CCO2 34a_100011934297_100000103362 [0,1,0,1,0,0|1,0,0]=3 21784 B15R2.18973 Nc1cc(ccc1Cl)OCC2COC2 34a_100011934297_100010264016 [0,1,0,1,0,0|1,0,0]=3 21785 B15R2.18973 Nc1cc(ccc1Cl)SCC2CCO2 62a_100000103362_200000761891 [0,1,0,1,0,0|1,1,0]=4 21786 B15R2.18973 Nc1cc(ccc1Cl)SCC2CCO2 62a_200000761891_100000103362 [0,1,0,1,0,0|1,1,0]=4 21787 B15R2.18973 Nc1cc(ccc1Cl)SCC2COC2 62a_100010264016_200000761891 [0,1,0,1,0,0|1,1,0]=4 21788 B15R2.18973 Nc1cc(ccc1Cl)SCC2COC2 62a_200000761891_100010264016 [0,1,0,1,0,0|1,1,0]=4 21789 B15R2.18973 Nc1cc(ccc1F)OCC2CCO2 34a_100012017239_100000103362 [0,1,0,1,0,0|1,1,0]=4 21790 B15R2.18973 Nc1cc(ccc1F)OCC2CCO2 7a_100012017239_100000103362 [0,1,0,1,0,0|1,1,0]=4 21791 B15R2.18973 Nc1cc(ccc1F)OCC2COC2 34a_100012017239_100010264016 [0,1,0,1,0,0|1,1,0]=4 21792 B15R2.18973 Nc1cc(ccc1F)OCC2COC2 7a_100012017239_100010264016 [0,1,0,1,0,0|1,1,0]=4 21793 B15R2.18973 Nc1ccc(cc1Br)OCC2CCO2 34a_100012001276_100000103362 [0,1,0,1,0,0|2,0,0]=4 21794 B15R2.18973 Nc1ccc(cc1Br)OCC2CCO2 7a_100012001276_100000103362 [0,1,0,1,0,0|2,0,0]=4 21795 B15R2.18973 Nc1ccc(cc1Br)OCC2COC2 34a_100012001276_100010264016 [0,1,0,1,0,0|2,0,0]=4 21796 B15R2.18973 Nc1ccc(cc1Br)OCC2COC2 7a_100012001276_100010264016 [0,1,0,1,0,0|2,0,0]=4 21797 B15R2.18973 Nc1ccc(cc1Cl)OCC2CCO2 34a_100011215599_100000103362 [0,1,0,1,0,0|2,0,0]=4 21798 B15R2.18973 Nc1ccc(cc1Cl)OCC2CCO2 7a_100011215599_100000103362 [0,1,0,1,0,0|2,0,0]=4 21799 B15R2.18973 Nc1ccc(cc1Cl)OCC2COC2 34a_100011215599_100010264016 [0,1,0,1,0,0|2,0,0]=4 21800 B15R2.18973 Nc1ccc(cc1Cl)OCC2COC2 7a_100011215599_100010264016 [0,1,0,1,0,0|2,0,0]=4 21801 B15R2.18973 Nc1ccc(cc1F)OCC2CCO2 34a_100000759473_100000103362 [0,1,0,1,0,0|2,0,0]=4 21802 B15R2.18973 Nc1ccc(cc1F)OCC2CCO2 7a_100000759473_100000103362 [0,1,0,1,0,0|2,0,0]=4 21803 B15R2.18973 Nc1ccc(cc1F)OCC2COC2 34a_100000759473_100010264016 [0,1,0,1,0,0|2,0,0]=4 21804 B15R2.18973 Nc1ccc(cc1F)OCC2COC2 7a_100000759473_100010264016 [0,1,0,1,0,0|2,0,0]=4 21805 B15R2.18973 Nc1ccc(cc1I)OCC2CCO2 34a_100010084370_100000103362 [0,1,0,1,0,0|2,0,0]=4 21806 B15R2.18973 Nc1ccc(cc1I)OCC2CCO2 7a_100010084370_100000103362 [0,1,0,1,0,0|2,0,0]=4 21807 B15R2.18973 Nc1ccc(cc1I)OCC2COC2 34a_100010084370_100010264016 [0,1,0,1,0,0|2,0,0]=4 21808 B15R2.18973 Nc1ccc(cc1I)OCC2COC2 7a_100010084370_100010264016 [0,1,0,1,0,0|2,0,0]=4 21809 B15R2.18973 Nc1ccc(cc1N)OCC2CCO2 34a_100025771000_100000103362 [0,1,0,1,0,0|2,0,0]=4 21810 B15R2.18973 Nc1ccc(cc1N)OCC2COC2 34a_100025771000_100010264016 [0,1,0,1,0,0|2,0,0]=4 21811 B15R2.18973 Oc1cc(ccc1Cl)NCC2CCO2 34a_100011934209_100000103362 [0,1,0,1,0,0|2,0,0]=4 21812 B15R2.18973 Oc1cc(ccc1Cl)NCC2COC2 34a_100011934209_100010264016 [0,1,0,1,0,0|2,0,0]=4 21813 B15R2.18973 Oc1cc(ccc1Cl)SCC2CCO2 62a_100000103362_100011356854 [0,1,0,1,0,0|1,1,0]=4 21814 B15R2.18973 Oc1cc(ccc1Cl)SCC2CCO2 62a_100011356854_100000103362 [0,1,0,1,0,0|1,1,0]=4 21815 B15R2.18973 Oc1cc(ccc1Cl)SCC2COC2 62a_100010264016_100011356854 [0,1,0,1,0,0|1,1,0]=4 21816 B15R2.18973 Oc1cc(ccc1Cl)SCC2COC2 62a_100011356854_100010264016 [0,1,0,1,0,0|1,1,0]=4 21817 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,1,0|0,0,2]=4 21818 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,1,0|0,0,2]=4 21819 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,0,0,0,1,0|2,0,0]=4 21820 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,0,0,0,1,0|2,0,0]=4 21821 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,0,0,0,1,0|2,0,0]=4 21822 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,0,0,0,1,0|1,1,0]=4 21823 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,0,0,0,1,0|1,1,0]=4 21824 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,0,0,0,1,0|1,0,0]=3 21825 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,0,0,0,1,0|1,0,0]=3 21826 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,0,0,0,1,0|1,1,0]=4 21827 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,0,0,0,1,0|1,1,0]=4 21828 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,0,0,0,1,0|1,1,0]=4 21829 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,0,0,0,1,0|2,0,0]=4 21830 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,0,0,0,1,0|2,0,0]=4 21831 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [1,0,0,0,1,0|2,0,0]=4 21832 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [1,0,0,0,1,0|2,0,0]=4 21833 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [1,0,0,0,1,0|2,0,0]=4 21834 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,0,0,0,1,0|1,1,0]=4 21835 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,0,0,0,1,0|1,1,0]=4 21836 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,0,0,0,1,0|2,0,0]=4 21837 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,0,0,0,1,0|2,0,0]=4 21838 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,0,0,0,1,0|2,0,0]=4 21839 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,0,0,0,1,0|2,0,0]=4 21840 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,0,0,0,1,0|2,0,0]=4 21841 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,0,0,0,1,0|2,0,0]=4 21842 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,0,0,0,1,0|2,0,0]=4 21843 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,0,0,0,1,0|2,0,0]=4 21844 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,0,0,0,1,0|2,0,0]=4 21845 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,0,0,0,1,0|2,0,0]=4 21846 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,0,0,0,1,0|2,0,0]=4 21847 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,1,0|0,0,2]=4 21848 B11R1.25 CCC(O)COc1ccsc1 34a_100000106738_100011218378 [1,0,0,0,1,0|2,0,0]=4 21849 B11R1.25 CCC(O)COc1ccsc1 7a_100000106738_100011218378 [1,0,0,0,1,0|2,0,0]=4 21850 B11R1.25 C[C@@H](CO)COc1ccsc1 34a_100000106738_100000059175 [1,0,0,0,1,0|2,0,0]=4 21851 B11R1.25 C[C@@H](CO)COc1ccsc1 7a_100000106738_100000059175 [1,0,0,0,1,0|2,0,0]=4 21852 B11R1.25 OCC(O)COc1ccsc1 34a_100000106738_100011219619 [1,0,0,0,1,0|1,0,0]=3 21853 B11R1.25 OCC(O)COc1ccsc1 7a_100000106738_100011219619 [1,0,0,0,1,0|1,0,0]=3 21854 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [1,0,0,0,1,0|1,1,0]=4 21855 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [1,0,0,0,1,0|1,1,0]=4 21856 B11R1.25 OCC(O)CSc1cccs1 62a_100011215356_100011219619 [1,0,0,0,1,0|1,1,0]=4 21857 B11R1.25 OCC(O)CSc1cccs1 62a_100011219619_100011215356 [1,0,0,0,1,0|1,1,0]=4 21858 B11R1.25 OCC(O)CSc1ccoc1 62a_100011215275_100011219619 [1,0,0,0,1,0|1,1,0]=4 21859 B11R1.25 OCC(O)CSc1ccoc1 62a_100011219619_100011215275 [1,0,0,0,1,0|1,1,0]=4 21860 B11R1.25 OCC(O)CSc1ccsc1 62a_100000738268_100011219619 [1,0,0,0,1,0|1,1,0]=4 21861 B11R1.25 OCC(O)CSc1ccsc1 62a_100011219619_100000738268 [1,0,0,0,1,0|1,1,0]=4 21862 B11R1.25 OC[C@H](O)COc1ccsc1 34a_100000106738_100009815848 [1,0,0,0,1,0|1,0,0]=3 21863 B11R1.25 OC[C@H](O)COc1ccsc1 7a_100000106738_100009815848 [1,0,0,0,1,0|1,0,0]=3 21864 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [1,0,0,0,1,0|1,1,0]=4 21865 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [1,0,0,0,1,0|1,1,0]=4 21866 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100009815848_100011215356 [1,0,0,0,1,0|1,1,0]=4 21867 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100011215356_100009815848 [1,0,0,0,1,0|1,1,0]=4 21868 B11R1.25 OC[C@H](O)CSc1ccoc1 62a_100009815848_100011215275 [1,0,0,0,1,0|1,1,0]=4 21869 B11R1.25 OC[C@H](O)CSc1ccoc1 62a_100011215275_100009815848 [1,0,0,0,1,0|1,1,0]=4 21870 B11R1.25 OC[C@H](O)CSc1ccsc1 62a_100000738268_100009815848 [1,0,0,0,1,0|1,1,0]=4 21871 B11R1.25 OC[C@H](O)CSc1ccsc1 62a_100009815848_100000738268 [1,0,0,0,1,0|1,1,0]=4 21872 B11R1.25 O[C@@H](CF)COc1ccsc1 34a_100000106738_100015614560 [1,0,0,0,1,0|2,0,0]=4 21873 B11R1.25 O[C@@H](CF)COc1ccsc1 7a_100000106738_100015614560 [1,0,0,0,1,0|2,0,0]=4 21874 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,0,0,0,1,0|2,0,0]=4 21875 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,0,0,0,1,0|1,0,0]=3 21876 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,0,0,0,1,0|1,0,0]=3 21877 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [1,0,0,0,1,0|2,0,0]=4 21878 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [1,0,0,0,1,0|2,0,0]=4 21879 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [1,0,0,0,1,0|2,0,0]=4 21880 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,0,0,0,1,0|1,1,0]=4 21881 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,0,0,0,1,0|2,0,0]=4 21882 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,0,0,0,1,0|2,0,0]=4 21883 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,0,0,0,1,0|1,1,0]=4 21884 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,0,0,0,1,0|1,1,0]=4 21885 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,0,0,1,0|0,0,2]=4 21886 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,0,0,0,2,0|2,0,0]=4 21887 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,0,0,0,2,0|2,0,0]=4 21888 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,0,0,0,2,0|2,0,0]=4 21889 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,0,0,0,2,0|1,0,0]=3 21890 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [1,0,0,0,0,1|1,0,1]=4 21891 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [1,0,0,0,0,1|1,0,1]=4 21892 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [1,0,0,0,0,1|2,0,0]=4 21893 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [1,0,0,0,0,1|2,0,0]=4 21894 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [1,0,0,0,0,1|2,0,0]=4 21895 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [1,0,0,0,0,1|2,0,0]=4 21896 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [1,0,0,0,0,1|2,0,0]=4 21897 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [1,0,0,0,0,1|2,0,0]=4 21898 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [1,0,0,0,0,1|2,0,0]=4 21899 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [1,0,0,0,0,1|2,0,0]=4 21900 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [1,0,0,0,0,1|1,1,0]=4 21901 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [1,0,0,0,0,1|2,0,0]=4 21902 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [1,0,0,0,0,1|2,0,0]=4 21903 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [1,0,0,0,0,1|2,0,0]=4 21904 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [1,0,0,0,0,1|2,0,0]=4 21905 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [1,0,0,0,0,1|2,0,0]=4 21906 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [1,0,0,0,0,1|2,0,0]=4 21907 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [1,0,0,0,0,1|2,0,0]=4 21908 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [1,0,0,0,0,1|1,0,0]=3 21909 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [1,0,0,0,0,1|1,0,0]=3 21910 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [1,0,0,0,0,1|1,1,0]=4 21911 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [1,0,0,0,0,1|1,1,0]=4 21912 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [1,0,0,0,0,1|2,0,0]=4 21913 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [1,0,0,0,0,1|2,0,0]=4 21914 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [1,0,0,0,0,1|2,0,0]=4 21915 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [1,0,0,0,0,1|2,0,0]=4 21916 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [1,0,0,0,0,1|2,0,0]=4 21917 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [1,0,0,0,0,1|1,0,0]=3 21918 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [1,0,0,0,0,1|1,0,0]=3 21919 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [1,0,0,0,0,1|1,1,0]=4 21920 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [1,0,0,0,0,1|1,1,0]=4 21921 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [1,0,0,0,0,1|2,0,0]=4 21922 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [1,0,0,0,0,1|1,1,0]=4 21923 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [1,0,0,0,0,1|2,0,0]=4 21924 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [1,0,0,0,0,1|2,0,0]=4 21925 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [1,0,0,0,0,1|1,1,0]=4 21926 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [1,0,0,0,0,1|1,1,0]=4 21927 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [1,0,0,0,0,1|2,0,0]=4 21928 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [1,0,0,0,0,1|2,0,0]=4 21929 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [1,0,0,0,0,1|0,0,2]=4 21930 B13R1.718 OCC(O)C=NNc1ccccc1 4a_100015195140_100000033539 [1,0,0,0,0,1|1,0,1]=4 21931 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [1,0,0,0,0,1|1,0,0]=3 21932 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [1,0,0,0,0,1|1,0,0]=3 21933 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [1,0,0,0,0,1|0,0,0]=2 21934 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [1,0,0,0,0,1|0,0,0]=2 21935 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [1,0,0,0,0,1|0,1,0]=3 21936 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [1,0,0,0,0,1|0,1,0]=3 21937 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [1,0,0,0,0,1|1,1,0]=4 21938 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [1,0,0,0,0,1|1,1,0]=4 21939 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [1,0,0,0,0,1|1,1,0]=4 21940 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [1,0,0,0,0,1|1,1,0]=4 21941 B13R1.718 OCC(O)CSCc1ccncc1 62a_100011219619_100015193705 [1,0,0,0,0,1|1,1,0]=4 21942 B13R1.718 OCC(O)CSCc1ccncc1 62a_100015193705_100011219619 [1,0,0,0,0,1|1,1,0]=4 21943 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [1,0,0,0,0,1|1,0,0]=3 21944 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [1,0,0,0,0,1|1,0,0]=3 21945 B13R1.718 OC[C@@H](O)CNCc1ccccn1 207a_100020644852_100000209966 [1,0,0,0,0,1|2,0,0]=4 21946 B13R1.718 OC[C@@H](O)CNCc1ccccn1 2230a_100020644852_100000721315 [1,0,0,0,0,1|2,0,0]=4 21947 B13R1.718 OC[C@@H](O)CNCc1cccnc1 207a_100020644852_100000209961 [1,0,0,0,0,1|2,0,0]=4 21948 B13R1.718 OC[C@@H](O)CNCc1cccnc1 2230a_100020644852_100000741622 [1,0,0,0,0,1|2,0,0]=4 21949 B13R1.718 OC[C@@H](O)CNCc1ccncc1 207a_100020644852_100000186114 [1,0,0,0,0,1|2,0,0]=4 21950 B13R1.718 OC[C@@H](O)CNCc1ccncc1 2230a_100020644852_100015193705 [1,0,0,0,0,1|2,0,0]=4 21951 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [1,0,0,0,0,1|2,0,0]=4 21952 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [1,0,0,0,0,1|2,0,0]=4 21953 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [1,0,0,0,0,1|2,0,0]=4 21954 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [1,0,0,0,0,1|1,0,0]=3 21955 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [1,0,0,0,0,1|1,0,0]=3 21956 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [1,0,0,0,0,1|0,0,0]=2 21957 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [1,0,0,0,0,1|0,0,0]=2 21958 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [1,0,0,0,0,1|0,1,0]=3 21959 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [1,0,0,0,0,1|0,1,0]=3 21960 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [1,0,0,0,0,1|1,1,0]=4 21961 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [1,0,0,0,0,1|1,1,0]=4 21962 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [1,0,0,0,0,1|1,1,0]=4 21963 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [1,0,0,0,0,1|1,1,0]=4 21964 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100009815848_100015193705 [1,0,0,0,0,1|1,1,0]=4 21965 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100015193705_100009815848 [1,0,0,0,0,1|1,1,0]=4 21966 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [1,0,0,0,0,1|2,0,0]=4 21967 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [1,0,0,0,0,1|2,0,0]=4 21968 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [1,0,0,0,0,1|1,0,0]=3 21969 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [1,0,0,0,0,1|1,0,0]=3 21970 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [1,0,0,0,0,1|1,1,0]=4 21971 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [1,0,0,0,0,1|1,1,0]=4 21972 B15R1.26 C=CC(O)COCCc1ccc(cc1)Cl 34a_100011219627_100000730141 [0,0,0,0,0,2|1,0,1]=4 21973 B15R1.26 C=CC(O)COCCc1ccc(cc1)Cl 7a_100011219627_100000730141 [0,0,0,0,0,2|1,0,1]=4 21974 B15R1.26 CC(CF)OCCOc1ccc(cc1)Cl 34a_100016041109_100000184122 [0,0,0,0,0,2|2,0,0]=4 21975 B15R1.26 CC(CF)OCCOc1ccc(cc1)Cl 7a_100016041109_100000184122 [0,0,0,0,0,2|2,0,0]=4 21976 B15R1.26 CC(CN)COCCc1ccc(cc1)Cl 34a_100000744482_100011713675 [0,0,0,0,0,2|2,0,0]=4 21977 B15R1.26 CC(CN)OCCOc1ccc(cc1)Cl 34a_100000210904_100000184122 [0,0,0,0,0,2|2,0,0]=4 21978 B15R1.26 CC(CO)CCNCc1ccc(cc1)Cl 207a_106354213184_100000189385 [0,0,0,0,0,2|2,0,0]=4 21979 B15R1.26 CC(CO)CCNCc1ccc(cc1)Cl 2230a_106354213184_100000694040 [0,0,0,0,0,2|2,0,0]=4 21980 B15R1.26 CC(CO)CCNCc1ccc(cc1)Cl 270004a_106354213184_100000189385 [0,0,0,0,0,2|2,0,0]=4 21981 B15R1.26 CC(CO)CCNCc1ccc(cc1)Cl 34a_106354213184_100000694040 [0,0,0,0,0,2|2,0,0]=4 21982 B15R1.26 CC(CO)CNCCc1ccc(cc1)Cl 34a_100000744482_100011713675 [0,0,0,0,0,2|2,0,0]=4 21983 B15R1.26 CC(CO)NCC#Cc1ccc(cc1)Cl 2230a_100011352944_100012180447 [0,0,0,0,0,2|2,0,0]=4 21984 B15R1.26 CC(CO)NCC#Cc1ccc(cc1)Cl 34a_100011352944_100012180447 [0,0,0,0,0,2|2,0,0]=4 21985 B15R1.26 CC(CO)NCCCc1ccc(cc1)Cl 2230a_100000748451_100012180447 [0,0,0,0,0,2|2,0,0]=4 21986 B15R1.26 CC(CO)NCCCc1ccc(cc1)Cl 34a_100000748451_100012180447 [0,0,0,0,0,2|2,0,0]=4 21987 B15R1.26 CC(CO)NCCOc1ccc(cc1)Br 2230a_100000746992_100012180447 [0,0,0,0,0,2|1,1,0]=4 21988 B15R1.26 CC(CO)NCCOc1ccc(cc1)Br 34a_100000746992_100012180447 [0,0,0,0,0,2|1,1,0]=4 21989 B15R1.26 CC(CO)NCCOc1ccc(cc1)Cl 2230a_100000697975_100012180447 [0,0,0,0,0,2|1,0,0]=3 21990 B15R1.26 CC(CO)NCCOc1ccc(cc1)Cl 34a_100000697975_100012180447 [0,0,0,0,0,2|1,0,0]=3 21991 B15R1.26 CC(CO)NCCOc1ccc(cc1)F 2230a_100000737420_100012180447 [0,0,0,0,0,2|1,1,0]=4 21992 B15R1.26 CC(CO)NCCOc1ccc(cc1)F 34a_100000737420_100012180447 [0,0,0,0,0,2|1,1,0]=4 21993 B15R1.26 CC(CO)NCCSc1ccc(cc1)Cl 2230a_100000174974_100012180447 [0,0,0,0,0,2|1,1,0]=4 21994 B15R1.26 CC(CO)OCCCc1ccc(cc1)Cl 34a_100011217485_100012180447 [0,0,0,0,0,2|2,0,0]=4 21995 B15R1.26 CC(CO)OCCCc1ccc(cc1)Cl 7a_100011217485_100012180447 [0,0,0,0,0,2|2,0,0]=4 21996 B15R1.26 CC(CO)OCCOc1ccc(cc1)Br 34a_100000686261_100012180447 [0,0,0,0,0,2|1,1,0]=4 21997 B15R1.26 CC(CO)OCCOc1ccc(cc1)Br 7a_100000686261_100012180447 [0,0,0,0,0,2|1,1,0]=4 21998 B15R1.26 CC(CO)OCCOc1ccc(cc1)Cl 34a_100000237962_100012180447 [0,0,0,0,0,2|1,0,0]=3 21999 B15R1.26 CC(CO)OCCOc1ccc(cc1)Cl 7a_100000237962_100012180447 [0,0,0,0,0,2|1,0,0]=3 22000 B15R1.26 CC(CO)OCCOc1ccc(cc1)N 34a_100000754363_100012180447 [0,0,0,0,0,2|2,0,0]=4 22001 B15R1.26 CC(CO)OCCSc1ccc(cc1)Cl 34a_100000230527_100012180447 [0,0,0,0,0,2|1,1,0]=4 22002 B15R1.26 CC(CO)OCCSc1ccc(cc1)Cl 7a_100000230527_100012180447 [0,0,0,0,0,2|1,1,0]=4 22003 B15R1.26 CC(CO)SCCCc1ccc(cc1)Cl 62a_100012180447_100000759440 [0,0,0,0,0,2|2,0,0]=4 22004 B15R1.26 CC(CO)SCCOc1ccc(cc1)Br 62a_100012180447_100000183278 [0,0,0,0,0,2|1,1,0]=4 22005 B15R1.26 CC(CO)SCCOc1ccc(cc1)Cl 62a_100012180447_100000184122 [0,0,0,0,0,2|1,0,0]=3 22006 B15R1.26 CC(CO)SCCOc1ccc(cc1)F 62a_100012180447_100000184936 [0,0,0,0,0,2|1,1,0]=4 22007 B15R1.26 CCC(C)CCOCc1ccc(cc1)Cl 7a_100011215188_100000187161 [0,0,0,0,0,2|2,0,0]=4 22008 B15R1.26 CCC(C)COCCc1ccc(cc1)Cl 34a_100011219627_100000748023 [0,0,0,0,0,2|2,0,0]=4 22009 B15R1.26 CCC(C)COCCc1ccc(cc1)Cl 7a_100011219627_100000748023 [0,0,0,0,0,2|2,0,0]=4 22010 B15R1.26 CCC(C)NCCOc1ccc(cc1)Cl 2230a_100000209981_100000184122 [0,0,0,0,0,2|2,0,0]=4 22011 B15R1.26 CCC(C)NCCOc1ccc(cc1)Cl 2230a_100000697975_100000758301 [0,0,0,0,0,2|2,0,0]=4 22012 B15R1.26 CCC(C)NCCOc1ccc(cc1)Cl 34a_100000697975_100011215416 [0,0,0,0,0,2|2,0,0]=4 22013 B15R1.26 CCC(C)OCCOc1ccc(cc1)Cl 34a_100000237962_100011215416 [0,0,0,0,0,2|2,0,0]=4 22014 B15R1.26 CCC(C)OCCOc1ccc(cc1)Cl 7a_100000210228_100000184122 [0,0,0,0,0,2|2,0,0]=4 22015 B15R1.26 CCC(C)OCCOc1ccc(cc1)Cl 7a_100000237962_100000758301 [0,0,0,0,0,2|2,0,0]=4 22016 B15R1.26 CCC(C)SCCOc1ccc(cc1)Cl 62a_100000184122_100000758301 [0,0,0,0,0,2|2,0,0]=4 22017 B15R1.26 CCC(C)SCCOc1ccc(cc1)Cl 62a_100000758301_100000184122 [0,0,0,0,0,2|2,0,0]=4 22018 B15R1.26 CCC(O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100011218378 [0,0,0,0,0,2|2,0,0]=4 22019 B15R1.26 CCC(O)CNCCc1ccc(cc1)Cl 2230a_100011218483_100011713675 [0,0,0,0,0,2|2,0,0]=4 22020 B15R1.26 CCC(O)CNCCc1ccc(cc1)Cl 34a_100000185265_100011218378 [0,0,0,0,0,2|2,0,0]=4 22021 B15R1.26 CCC(O)CNN=Cc1ccc(cc1)Cl 4a_100015206393_100000189385 [0,0,0,0,0,2|2,0,0]=4 22022 B15R1.26 CCC(O)COCCc1ccc(cc1)Br 34a_100000766406_100011218378 [0,0,0,0,0,2|1,1,0]=4 22023 B15R1.26 CCC(O)COCCc1ccc(cc1)Br 7a_100000766406_100011218378 [0,0,0,0,0,2|1,1,0]=4 22024 B15R1.26 CCC(O)COCCc1ccc(cc1)C 34a_100000756670_100011218378 [0,0,0,0,0,2|2,0,0]=4 22025 B15R1.26 CCC(O)COCCc1ccc(cc1)C 7a_100000756670_100011218378 [0,0,0,0,0,2|2,0,0]=4 22026 B15R1.26 CCC(O)COCCc1ccc(cc1)Cl 34a_100011219627_100011218378 [0,0,0,0,0,2|1,0,0]=3 22027 B15R1.26 CCC(O)COCCc1ccc(cc1)Cl 7a_100011219627_100011218378 [0,0,0,0,0,2|1,0,0]=3 22028 B15R1.26 CCC(O)COCCc1ccc(cc1)F 34a_100000754732_100011218378 [0,0,0,0,0,2|1,1,0]=4 22029 B15R1.26 CCC(O)COCCc1ccc(cc1)F 7a_100000754732_100011218378 [0,0,0,0,0,2|1,1,0]=4 22030 B15R1.26 CCC(O)COCCc1ccc(cc1)I 34a_100012291149_100011218378 [0,0,0,0,0,2|1,1,0]=4 22031 B15R1.26 CCC(O)COCCc1ccc(cc1)I 7a_100012291149_100011218378 [0,0,0,0,0,2|1,1,0]=4 22032 B15R1.26 CCC(O)COCCc1ccc(cc1)N 34a_100011204434_100011218378 [0,0,0,0,0,2|2,0,0]=4 22033 B15R1.26 CCC(O)COCCc1ccc(nc1)Cl 34a_100009880866_100011218378 [0,0,0,0,0,2|2,0,0]=4 22034 B15R1.26 CCC(O)COCCc1ccc(nc1)Cl 7a_100009880866_100011218378 [0,0,0,0,0,2|2,0,0]=4 22035 B15R1.26 CCC(O)CSCCc1ccc(cc1)Cl 62a_100011218378_100011713675 [0,0,0,0,0,2|1,1,0]=4 22036 B15R1.26 CCC(O)CSCCc1ccc(cc1)Cl 62a_100011713675_100011218378 [0,0,0,0,0,2|1,1,0]=4 22037 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Cl 34a_100011219627_100009816398 [0,0,0,0,0,2|2,0,0]=4 22038 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Cl 7a_100009816381_100011713675 [0,0,0,0,0,2|2,0,0]=4 22039 B15R1.26 CC[C@H](C)COCCc1ccc(cc1)Cl 7a_100011219627_100009816398 [0,0,0,0,0,2|2,0,0]=4 22040 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)Cl 2230a_100000185265_100000059175 [0,0,0,0,0,2|2,0,0]=4 22041 B15R1.26 C[C@@H](CO)CNCCc1ccc(cc1)Cl 34a_100000185265_100000059175 [0,0,0,0,0,2|2,0,0]=4 22042 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)Br 34a_100000766406_100000059175 [0,0,0,0,0,2|1,1,0]=4 22043 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)Br 7a_100000766406_100000059175 [0,0,0,0,0,2|1,1,0]=4 22044 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)Cl 34a_100011219627_100000059175 [0,0,0,0,0,2|1,0,0]=3 22045 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)Cl 7a_100011219627_100000059175 [0,0,0,0,0,2|1,0,0]=3 22046 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)F 34a_100000754732_100000059175 [0,0,0,0,0,2|1,1,0]=4 22047 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)F 7a_100000754732_100000059175 [0,0,0,0,0,2|1,1,0]=4 22048 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)I 34a_100012291149_100000059175 [0,0,0,0,0,2|1,1,0]=4 22049 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)I 7a_100012291149_100000059175 [0,0,0,0,0,2|1,1,0]=4 22050 B15R1.26 C[C@@H](CO)COCCc1ccc(cc1)N 34a_100011204434_100000059175 [0,0,0,0,0,2|2,0,0]=4 22051 B15R1.26 C[C@@H](CO)COCCc1ccc(nc1)Cl 34a_100009880866_100000059175 [0,0,0,0,0,2|2,0,0]=4 22052 B15R1.26 C[C@@H](CO)COCCc1ccc(nc1)Cl 7a_100009880866_100000059175 [0,0,0,0,0,2|2,0,0]=4 22053 B15R1.26 C[C@@H](CO)CSCCc1ccc(cc1)Cl 62a_100000059175_100011713675 [0,0,0,0,0,2|1,1,0]=4 22054 B15R1.26 C[C@@H](CO)CSCCc1ccc(cc1)Cl 62a_100011713675_100000059175 [0,0,0,0,0,2|1,1,0]=4 22055 B15R1.26 C[C@H](CO)NCC=Cc1ccc(cc1)Cl 270004a_100000737577_100102525842 [0,0,0,0,0,2|2,0,0]=4 22056 B15R1.26 C[C@H](CO)NCCCc1ccc(cc1)Cl 2230a_100000737577_100000759440 [0,0,0,0,0,2|2,0,0]=4 22057 B15R1.26 C[C@H](CO)NCCOc1ccc(cc1)Br 2230a_100000737577_100000183278 [0,0,0,0,0,2|1,1,0]=4 22058 B15R1.26 C[C@H](CO)NCCOc1ccc(cc1)Cl 2230a_100000737577_100000184122 [0,0,0,0,0,2|1,0,0]=3 22059 B15R1.26 C[C@H](CO)NCCOc1ccc(cc1)F 2230a_100000737577_100000184936 [0,0,0,0,0,2|1,1,0]=4 22060 B15R1.26 C[C@H](CO)SCCCc1ccc(cc1)Cl 62a_100000759440_100016084084 [0,0,0,0,0,2|2,0,0]=4 22061 B15R1.26 C[C@H](CO)SCCCc1ccc(cc1)Cl 62a_100016084084_100000759440 [0,0,0,0,0,2|2,0,0]=4 22062 B15R1.26 C[C@H](CO)SCCOc1ccc(cc1)Br 62a_100000183278_100016084084 [0,0,0,0,0,2|1,1,0]=4 22063 B15R1.26 C[C@H](CO)SCCOc1ccc(cc1)Br 62a_100016084084_100000183278 [0,0,0,0,0,2|1,1,0]=4 22064 B15R1.26 C[C@H](CO)SCCOc1ccc(cc1)Cl 62a_100000184122_100016084084 [0,0,0,0,0,2|1,0,0]=3 22065 B15R1.26 C[C@H](CO)SCCOc1ccc(cc1)Cl 62a_100016084084_100000184122 [0,0,0,0,0,2|1,0,0]=3 22066 B15R1.26 C[C@H](CO)SCCOc1ccc(cc1)F 62a_100000184936_100016084084 [0,0,0,0,0,2|1,1,0]=4 22067 B15R1.26 C[C@H](CO)SCCOc1ccc(cc1)F 62a_100016084084_100000184936 [0,0,0,0,0,2|1,1,0]=4 22068 B15R1.26 Cc1ccc(cc1)CCNCC(O)CO 2230a_100000705350_100011219619 [0,0,0,0,0,2|2,0,0]=4 22069 B15R1.26 Cc1ccc(cc1)CCNCC(O)CO 34a_100000705350_100011219619 [0,0,0,0,0,2|2,0,0]=4 22070 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](O)CO 2230a_100000705350_100009815848 [0,0,0,0,0,2|2,0,0]=4 22071 B15R1.26 Cc1ccc(cc1)CCNC[C@@H](O)CO 34a_100000705350_100009815848 [0,0,0,0,0,2|2,0,0]=4 22072 B15R1.26 Cc1ccc(cc1)CCNC[C@H](O)CO 2230a_100020644852_100011713686 [0,0,0,0,0,2|2,0,0]=4 22073 B15R1.26 Cc1ccc(cc1)CCOCC(O)CO 34a_100000756670_100011219619 [0,0,0,0,0,2|1,0,0]=3 22074 B15R1.26 Cc1ccc(cc1)CCOCC(O)CO 7a_100000756670_100011219619 [0,0,0,0,0,2|1,0,0]=3 22075 B15R1.26 Cc1ccc(cc1)CCOC[C@@H](C)CO 34a_100000756670_100000059175 [0,0,0,0,0,2|2,0,0]=4 22076 B15R1.26 Cc1ccc(cc1)CCOC[C@@H](C)CO 7a_100000756670_100000059175 [0,0,0,0,0,2|2,0,0]=4 22077 B15R1.26 Cc1ccc(cc1)CCOC[C@@H](O)CF 34a_100000756670_100015614560 [0,0,0,0,0,2|2,0,0]=4 22078 B15R1.26 Cc1ccc(cc1)CCOC[C@@H](O)CF 7a_100000756670_100015614560 [0,0,0,0,0,2|2,0,0]=4 22079 B15R1.26 Cc1ccc(cc1)CCOC[C@@H](O)CO 34a_100000756670_100009815848 [0,0,0,0,0,2|1,0,0]=3 22080 B15R1.26 Cc1ccc(cc1)CCOC[C@@H](O)CO 7a_100000756670_100009815848 [0,0,0,0,0,2|1,0,0]=3 22081 B15R1.26 Cc1ccc(cc1)CCSCC(O)CO 62a_100011219619_100011713686 [0,0,0,0,0,2|1,1,0]=4 22082 B15R1.26 Cc1ccc(cc1)CCSCC(O)CO 62a_100011713686_100011219619 [0,0,0,0,0,2|1,1,0]=4 22083 B15R1.26 Cc1ccc(cc1)CCSC[C@@H](O)CO 62a_100009815848_100011713686 [0,0,0,0,0,2|1,1,0]=4 22084 B15R1.26 Cc1ccc(cc1)CCSC[C@@H](O)CO 62a_100011713686_100009815848 [0,0,0,0,0,2|1,1,0]=4 22085 B15R1.26 Cc1ccc(cc1)OCCNC(C)CO 2230a_100020666663_100012180447 [0,0,0,0,0,2|2,0,0]=4 22086 B15R1.26 Cc1ccc(cc1)OCCNC(C)CO 34a_100020666663_100012180447 [0,0,0,0,0,2|2,0,0]=4 22087 B15R1.26 Cc1ccc(cc1)OCCN[C@H](C)CO 2230a_100000737577_100000183172 [0,0,0,0,0,2|2,0,0]=4 22088 B15R1.26 Cc1ccc(cc1)OCCOC(C)CO 34a_100011219107_100012180447 [0,0,0,0,0,2|2,0,0]=4 22089 B15R1.26 Cc1ccc(cc1)OCCOC(C)CO 7a_100011219107_100012180447 [0,0,0,0,0,2|2,0,0]=4 22090 B15R1.26 Cc1ccc(cc1)OCCSC(C)CO 62a_100012180447_100000183172 [0,0,0,0,0,2|2,0,0]=4 22091 B15R1.26 Cc1ccc(cc1)OCCS[C@H](C)CO 62a_100000183172_100016084084 [0,0,0,0,0,2|2,0,0]=4 22092 B15R1.26 Cc1ccc(cc1)OCCS[C@H](C)CO 62a_100016084084_100000183172 [0,0,0,0,0,2|2,0,0]=4 22093 B15R1.26 Cc1ccc(cn1)CCOCC(O)CO 34a_100011815783_100011219619 [0,0,0,0,0,2|2,0,0]=4 22094 B15R1.26 Cc1ccc(cn1)CCOC[C@@H](O)CO 34a_100011815783_100009815848 [0,0,0,0,0,2|2,0,0]=4 22095 B15R1.26 ClCC(Cl)COCCc1ccc(cc1)Cl 34a_100000033668_100011713675 [0,0,0,0,0,2|2,0,0]=4 22096 B15R1.26 NC[C@@H](F)COCCc1ccc(cc1)Cl 34a_100015665980_100011713675 [0,0,0,0,0,2|2,0,0]=4 22097 B15R1.26 Nc1ccc(cc1)CCOCC(O)CO 34a_100011204434_100011219619 [0,0,0,0,0,2|1,0,0]=3 22098 B15R1.26 Nc1ccc(cc1)CCOC[C@@H](O)CF 34a_100011204434_100015614560 [0,0,0,0,0,2|2,0,0]=4 22099 B15R1.26 Nc1ccc(cc1)CCOC[C@@H](O)CO 34a_100011204434_100009815848 [0,0,0,0,0,2|1,0,0]=3 22100 B15R1.26 O=C(CO)NCCOc1ccc(cc1)Cl 240690a_100000697975_100000210174 [0,0,0,0,0,2|0,0,2]=4 22101 B15R1.26 O=C(CO)NCCOc1ccc(cc1)Cl 527a_100000697975_100000210174 [0,0,0,0,0,2|0,0,2]=4 22102 B15R1.26 OCC(O)C=NNCc1ccc(cc1)Cl 4a_100000689899_100000033539 [0,0,0,0,0,2|1,0,1]=4 22103 B15R1.26 OCC(O)CNCCc1ccc(cc1)Br 2230a_100000755846_100011219619 [0,0,0,0,0,2|1,1,0]=4 22104 B15R1.26 OCC(O)CNCCc1ccc(cc1)Br 34a_100000755846_100011219619 [0,0,0,0,0,2|1,1,0]=4 22105 B15R1.26 OCC(O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100011219619 [0,0,0,0,0,2|1,0,0]=3 22106 B15R1.26 OCC(O)CNCCc1ccc(cc1)Cl 34a_100000185265_100011219619 [0,0,0,0,0,2|1,0,0]=3 22107 B15R1.26 OCC(O)CNCCc1ccc(cc1)F 2230a_100000199005_100011219619 [0,0,0,0,0,2|1,1,0]=4 22108 B15R1.26 OCC(O)CNCCc1ccc(cc1)F 34a_100000199005_100011219619 [0,0,0,0,0,2|1,1,0]=4 22109 B15R1.26 OCC(O)CNCCc1ccc(cc1)O 34a_100000743037_100011219619 [0,0,0,0,0,2|2,0,0]=4 22110 B15R1.26 OCC(O)COCCc1ccc(cc1)Br 34a_100000766406_100011219619 [0,0,0,0,0,2|0,1,0]=3 22111 B15R1.26 OCC(O)COCCc1ccc(cc1)Br 7a_100000766406_100011219619 [0,0,0,0,0,2|0,1,0]=3 22112 B15R1.26 OCC(O)COCCc1ccc(cc1)Cl 34a_100011219627_100011219619 [0,0,0,0,0,2|0,0,0]=2 22113 B15R1.26 OCC(O)COCCc1ccc(cc1)Cl 7a_100011219627_100011219619 [0,0,0,0,0,2|0,0,0]=2 22114 B15R1.26 OCC(O)COCCc1ccc(cc1)F 34a_100000754732_100011219619 [0,0,0,0,0,2|0,1,0]=3 22115 B15R1.26 OCC(O)COCCc1ccc(cc1)F 7a_100000754732_100011219619 [0,0,0,0,0,2|0,1,0]=3 22116 B15R1.26 OCC(O)COCCc1ccc(cc1)I 34a_100012291149_100011219619 [0,0,0,0,0,2|0,1,0]=3 22117 B15R1.26 OCC(O)COCCc1ccc(cc1)I 7a_100012291149_100011219619 [0,0,0,0,0,2|0,1,0]=3 22118 B15R1.26 OCC(O)COCCc1ccc(cn1)Br 34a_100012357577_100011219619 [0,0,0,0,0,2|1,1,0]=4 22119 B15R1.26 OCC(O)COCCc1ccc(nc1)Cl 34a_100009880866_100011219619 [0,0,0,0,0,2|1,0,0]=3 22120 B15R1.26 OCC(O)COCCc1ccc(nc1)Cl 7a_100009880866_100011219619 [0,0,0,0,0,2|1,0,0]=3 22121 B15R1.26 OCC(O)CSCCc1ccc(cc1)Br 62a_100011219619_100011740612 [0,0,0,0,0,2|0,2,0]=4 22122 B15R1.26 OCC(O)CSCCc1ccc(cc1)Br 62a_100011740612_100011219619 [0,0,0,0,0,2|0,2,0]=4 22123 B15R1.26 OCC(O)CSCCc1ccc(cc1)Cl 62a_100011219619_100011713675 [0,0,0,0,0,2|0,1,0]=3 22124 B15R1.26 OCC(O)CSCCc1ccc(cc1)Cl 62a_100011713675_100011219619 [0,0,0,0,0,2|0,1,0]=3 22125 B15R1.26 OCC(O)CSCCc1ccc(cc1)F 62a_100011217392_100011219619 [0,0,0,0,0,2|0,2,0]=4 22126 B15R1.26 OCC(O)CSCCc1ccc(cc1)F 62a_100011219619_100011217392 [0,0,0,0,0,2|0,2,0]=4 22127 B15R1.26 OCC(O)CSCCc1ccc(cc1)O 62a_100009816426_100011219619 [0,0,0,0,0,2|1,1,0]=4 22128 B15R1.26 OCC(O)CSCCc1ccc(cc1)O 62a_100011219619_100009816426 [0,0,0,0,0,2|1,1,0]=4 22129 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)Br 2230a_100020644852_100011740612 [0,0,0,0,0,2|1,1,0]=4 22130 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)Cl 2230a_100020644852_100011713675 [0,0,0,0,0,2|1,0,0]=3 22131 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)F 2230a_100020644852_100011217392 [0,0,0,0,0,2|1,1,0]=4 22132 B15R1.26 OC[C@@H](O)CNCCc1ccc(cc1)O 2230a_100020644852_100009816426 [0,0,0,0,0,2|2,0,0]=4 22133 B15R1.26 OC[C@H](F)CNCCc1ccc(cc1)Cl 34a_100015665980_100011713675 [0,0,0,0,0,2|2,0,0]=4 22134 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Br 2230a_100000755846_100009815848 [0,0,0,0,0,2|1,1,0]=4 22135 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Br 34a_100000755846_100009815848 [0,0,0,0,0,2|1,1,0]=4 22136 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100009815848 [0,0,0,0,0,2|1,0,0]=3 22137 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)Cl 34a_100000185265_100009815848 [0,0,0,0,0,2|1,0,0]=3 22138 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)F 2230a_100000199005_100009815848 [0,0,0,0,0,2|1,1,0]=4 22139 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)F 34a_100000199005_100009815848 [0,0,0,0,0,2|1,1,0]=4 22140 B15R1.26 OC[C@H](O)CNCCc1ccc(cc1)O 34a_100000743037_100009815848 [0,0,0,0,0,2|2,0,0]=4 22141 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)Br 34a_100000766406_100009815848 [0,0,0,0,0,2|0,1,0]=3 22142 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)Br 7a_100000766406_100009815848 [0,0,0,0,0,2|0,1,0]=3 22143 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)Cl 34a_100011219627_100009815848 [0,0,0,0,0,2|0,0,0]=2 22144 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)Cl 7a_100011219627_100009815848 [0,0,0,0,0,2|0,0,0]=2 22145 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)F 34a_100000754732_100009815848 [0,0,0,0,0,2|0,1,0]=3 22146 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)F 7a_100000754732_100009815848 [0,0,0,0,0,2|0,1,0]=3 22147 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)I 34a_100012291149_100009815848 [0,0,0,0,0,2|0,1,0]=3 22148 B15R1.26 OC[C@H](O)COCCc1ccc(cc1)I 7a_100012291149_100009815848 [0,0,0,0,0,2|0,1,0]=3 22149 B15R1.26 OC[C@H](O)COCCc1ccc(cn1)Br 34a_100012357577_100009815848 [0,0,0,0,0,2|1,1,0]=4 22150 B15R1.26 OC[C@H](O)COCCc1ccc(nc1)Cl 34a_100009880866_100009815848 [0,0,0,0,0,2|1,0,0]=3 22151 B15R1.26 OC[C@H](O)COCCc1ccc(nc1)Cl 7a_100009880866_100009815848 [0,0,0,0,0,2|1,0,0]=3 22152 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)Br 62a_100009815848_100011740612 [0,0,0,0,0,2|0,2,0]=4 22153 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)Br 62a_100011740612_100009815848 [0,0,0,0,0,2|0,2,0]=4 22154 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)Cl 62a_100009815848_100011713675 [0,0,0,0,0,2|0,1,0]=3 22155 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)Cl 62a_100011713675_100009815848 [0,0,0,0,0,2|0,1,0]=3 22156 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)F 62a_100009815848_100011217392 [0,0,0,0,0,2|0,2,0]=4 22157 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)F 62a_100011217392_100009815848 [0,0,0,0,0,2|0,2,0]=4 22158 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)O 62a_100009815848_100009816426 [0,0,0,0,0,2|1,1,0]=4 22159 B15R1.26 OC[C@H](O)CSCCc1ccc(cc1)O 62a_100009816426_100009815848 [0,0,0,0,0,2|1,1,0]=4 22160 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)Cl 2230a_100000185265_100015614560 [0,0,0,0,0,2|2,0,0]=4 22161 B15R1.26 O[C@@H](CF)CNCCc1ccc(cc1)Cl 34a_100000185265_100015614560 [0,0,0,0,0,2|2,0,0]=4 22162 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)Br 34a_100000766406_100015614560 [0,0,0,0,0,2|1,1,0]=4 22163 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)Br 7a_100000766406_100015614560 [0,0,0,0,0,2|1,1,0]=4 22164 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)Cl 34a_100011219627_100015614560 [0,0,0,0,0,2|1,0,0]=3 22165 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)Cl 7a_100011219627_100015614560 [0,0,0,0,0,2|1,0,0]=3 22166 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)F 34a_100000754732_100015614560 [0,0,0,0,0,2|1,1,0]=4 22167 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)F 7a_100000754732_100015614560 [0,0,0,0,0,2|1,1,0]=4 22168 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)I 34a_100012291149_100015614560 [0,0,0,0,0,2|1,1,0]=4 22169 B15R1.26 O[C@@H](CF)COCCc1ccc(cc1)I 7a_100012291149_100015614560 [0,0,0,0,0,2|1,1,0]=4 22170 B15R1.26 O[C@@H](CF)COCCc1ccc(nc1)Cl 34a_100009880866_100015614560 [0,0,0,0,0,2|2,0,0]=4 22171 B15R1.26 O[C@@H](CF)COCCc1ccc(nc1)Cl 7a_100009880866_100015614560 [0,0,0,0,0,2|2,0,0]=4 22172 B15R1.26 O[C@@H](CF)CSCCc1ccc(cc1)Cl 62a_100011713675_100015614560 [0,0,0,0,0,2|1,1,0]=4 22173 B15R1.26 O[C@@H](CF)CSCCc1ccc(cc1)Cl 62a_100015614560_100011713675 [0,0,0,0,0,2|1,1,0]=4