0 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,0,0,0,0,0|3,0,0]=3 50 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,0,0,0,0,0|1,0,0]=1 53 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,0,0,0,0,0|1,0,0]=1 54 B12R1.19 CC(=O)Cc1cnc(c(c1)Br)F 1458a_100000070787_200010066439 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.19 CC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000070787_100009843750 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.19 CC(=O)Cc1cnc(c(c1)I)Cl 1458a_100000070787_100011072623 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,0,0,0,0,0|4,0,0]=4 73 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,0,0,0,0,0|4,0,0]=4 74 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,0,0,0,0,0|3,0,0]=3 79 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,0,0,0,0,0|3,0,0]=3 80 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,0,0,0,0,0|4,0,0]=4 87 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,0,0,0,0,0|4,0,0]=4 88 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,0,0,0,0,0|4,0,0]=4 95 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,0,0,0,0,0|4,0,0]=4 98 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,0,0,0,0,0|4,0,0]=4 99 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,0,0,0,0,0|3,0,0]=3 104 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,0,0,0,0,0|4,0,0]=4 107 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,0,0,0,0,0|4,0,0]=4 108 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,0,0,0,0,0|4,0,0]=4 109 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,0,0,0,0,0|4,0,0]=4 110 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,0,0,0,0,0|4,0,0]=4 111 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,0,0,0,0,0|4,0,0]=4 112 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,0,0,0,0,0|4,0,0]=4 114 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,0,0,0,0,0|4,0,0]=4 115 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,0,0,0,0,0|4,0,0]=4 116 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,0,0,0,0,0|4,0,0]=4 117 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,0,0,0,0,0|4,0,0]=4 121 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,0,0,0,0,0|3,0,0]=3 124 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,0,0,0,0,0|4,0,0]=4 126 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,0,0,0,0,0|4,0,0]=4 128 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,0,0,0,0,0|4,0,0]=4 129 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,0,0,0,0,0|4,0,0]=4 136 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,0,0,0,0,0|4,0,0]=4 137 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,0,0,0,0,0|4,0,0]=4 138 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,0,0,0,0,0|4,0,0]=4 139 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,0,0,0,0,0|4,0,0]=4 140 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,0,0,0,0,0|4,0,0]=4 141 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,0,0,0,0,0|3,0,0]=3 142 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,0,0,0,0,0|3,0,0]=3 143 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,0,0,0,0,0|3,0,0]=3 144 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,0,0,0,0,0|4,0,0]=4 145 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,0,0,0,0,0|4,0,0]=4 146 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,0,0,0,0,0|4,0,0]=4 148 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,0,0,0,0,0|4,0,0]=4 149 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,0,0,0,0,0|4,0,0]=4 150 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,0,0,0,0,0|4,0,0]=4 151 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,0,0,0,0,0|4,0,0]=4 152 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,0,0,0,0,0|4,0,0]=4 153 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,0,0,0,0,0|4,0,0]=4 154 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,0,0,0,0,0|4,0,0]=4 155 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,0,0,0,0,0|4,0,0]=4 156 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,0,0,0,0,0|4,0,0]=4 157 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,0,0,0,0,0|4,0,0]=4 158 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,0,0,0,0,0|4,0,0]=4 159 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,0,0,0,0,0|4,0,0]=4 160 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,0,0,0,0,0|3,0,0]=3 161 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,0,0,0,0,0|3,0,0]=3 162 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,0,0,0,0,0|3,0,0]=3 163 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,0,0,0,0,0|3,0,0]=3 164 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,0,0,0,0,0|3,0,0]=3 165 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,0,0,0,0,0|3,0,0]=3 166 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,0,0,0,0,0|3,0,0]=3 167 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,0,0,0,0,0|3,0,0]=3 168 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,0,0,0,0,0|2,0,0]=2 169 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,0,0,0,0,0|2,0,0]=2 170 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,0,0,0,0,0|4,0,0]=4 171 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,0,0,0,0,0|4,0,0]=4 172 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,0,0,0,0,0|3,0,0]=3 173 B12R1.19 CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000210206 [0,0,0,0,0,0|3,0,1]=4 174 B12R1.19 CC(C)Sc1ccc(c(c1)O)O 62a_100000210206_100009813601 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,0,0,0,0,0|3,0,0]=3 176 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,0,0,0,0,0|3,0,0]=3 177 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,0,0,0,0,0|2,0,0]=2 178 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,0,0,0,0,0|3,0,0]=3 179 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,0,0,0,0,0|3,0,0]=3 180 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,0,0,0,0,0|3,0,0]=3 181 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,0,0,0,0,0|3,0,0]=3 182 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,0,0,0,0,0|2,0,0]=2 183 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,0,0,0,0,0|3,0,0]=3 184 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,0,0,0,0,0|3,0,0]=3 185 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,0,0,0,0,0|2,0,0]=2 186 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,0,0,0,0,0|3,0,0]=3 187 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,0,0,0,0,0|3,0,0]=3 188 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,0,0,0,0,0|3,0,0]=3 189 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,0,0,0,0,0|2,0,0]=2 190 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,0,0,0,0,0|3,0,0]=3 191 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,0,0,0,0,0|3,0,0]=3 192 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,0,0,0,0,0|3,0,0]=3 193 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,0,0,0,0,0|3,0,0]=3 194 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,0,0,0,0,0|2,0,0]=2 195 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,0,0,0,0,0|1,0,0]=1 196 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,0|2,0,0]=3 201 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,0|2,0,0]=3 202 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,0|1,0,0]=2 208 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,0|1,0,0]=2 209 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,0,0,0,0,0|2,0,1]=4 224 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,0|3,0,0]=4 238 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,0|3,0,0]=4 239 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,0|2,0,0]=3 245 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,0|2,0,0]=3 246 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,0|2,0,0]=3 249 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,0|2,0,0]=3 250 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,0|2,1,0]=4 251 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,0|1,0,0]=2 261 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,0,0,0,0,0|2,0,0]=3 263 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,0|2,0,0]=3 265 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,0,0|2,0,1]=4 266 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,0,0|2,0,1]=4 267 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,0|2,0,0]=3 271 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,0|1,0,0]=2 272 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,0,0,0,0,0|2,0,1]=4 277 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,0,0,0,0,0|2,0,1]=4 278 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,0,0,0,0,0|2,0,0]=3 282 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,0,0,0,0,0|2,0,0]=3 283 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,0,0,0,0|2,0,0]=3 284 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,0,0,0,0|2,0,0]=3 285 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,0,0,0,0,0|2,0,0]=3 286 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,0,0,0,0,0|2,0,0]=3 287 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,0,0,0,0,0|2,0,0]=3 288 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,0,0,0,0,0|2,0,0]=3 289 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,0,0,0,0,0|2,0,0]=3 290 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,0,0,0,0,0|2,0,0]=3 291 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,0,0|1,0,0]=2 292 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,0,0|1,0,0]=2 293 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,0,0|1,0,0]=2 294 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [1,0,0,0,0,0|3,0,0]=4 299 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [1,0,0,0,0,0|3,0,0]=4 300 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,0,0,0,0,0|3,0,0]=4 309 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,0,0,0,0|3,0,0]=4 314 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,0,0,0,0|3,0,0]=4 315 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,0,0,0,0|3,0,0]=4 316 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,0,0,0,0|3,0,0]=4 318 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,0,0,0,0|3,0,0]=4 331 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,0,0,0,0|3,0,0]=4 332 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,0,0|2,0,0]=3 333 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,0,0|2,0,0]=3 334 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,0,0|2,0,0]=3 335 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,0,0|2,0,0]=3 336 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,0,0,0,0,0|3,0,0]=4 337 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,0,0,0,0,0|3,0,0]=4 338 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,0,0,0,0,0|3,0,0]=4 339 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,0,0|2,0,0]=3 340 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,0,0,0,0,0|2,0,1]=4 341 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [1,0,0,0,0,0|3,0,0]=4 342 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [1,0,0,0,0,0|3,0,0]=4 343 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [1,0,0,0,0,0|3,0,0]=4 346 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [1,0,0,0,0,0|3,0,0]=4 347 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [1,0,0,0,0,0|3,0,0]=4 349 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,0,0,0,0|2,0,0]=3 350 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,0,0,0,0,0|3,0,0]=4 351 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,0,0|1,0,0]=2 352 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,0,0|2,0,0]=3 353 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,0,0,0,0,0|2,0,0]=3 354 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,0,0,0,0,0|2,0,0]=3 355 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,0,0,0,0,0|2,0,0]=3 356 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,0,0,0,0,0|2,0,0]=3 357 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,0,0|1,0,0]=2 358 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [1,0,0,0,0,0|3,0,0]=4 360 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [1,0,0,0,0,0|3,0,0]=4 363 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,0,0,0,0,0|1,0,2]=4 365 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,0,0,0,0,0|2,0,1]=4 367 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,0,0,0,0,0|2,0,1]=4 368 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,0,0,0,0,0|2,0,1]=4 369 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,0,0,0,0,0|2,0,1]=4 370 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,0,0,0,0,0|2,0,1]=4 371 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,0,0,0,0,0|2,0,1]=4 372 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,0,0,0,0,0|2,0,1]=4 373 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,0,0,0,0,0|2,0,1]=4 374 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,0,0,0,0,0|2,0,1]=4 375 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,0,0,0,0,0|1,0,1]=3 376 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,0,0,0,0,0|2,0,1]=4 377 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,0,0,0,0,0|2,0,1]=4 378 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,0,0,0,0,0|2,0,1]=4 379 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,0,0,0,0,0|2,0,0]=3 383 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,0,0,0,0,0|3,0,0]=4 384 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,0,0,0,0,0|3,0,0]=4 385 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,0,0,0,0,0|3,0,0]=4 386 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [1,0,0,0,0,0|3,0,0]=4 387 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,0,0,0,0,0|2,0,1]=4 388 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [1,0,0,0,0,0|2,0,1]=4 389 B11R1.192 N#CCc1ccc(c(c1)O)F 271570a_203496583355_100000742998 [1,0,0,0,0,0|2,0,1]=4 390 B11R1.192 N#CCc1ccc(c(c1)O)N 271570a_203496583355_100010188563 [1,0,0,0,0,0|2,0,1]=4 391 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,0,0,0,0,0|1,0,1]=3 392 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,0,0,0,0,0|2,0,1]=4 393 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,0,0,0,0,0|2,0,1]=4 394 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B13R1.35 CC(=Cc1ccc(c(c1)O)CO)C 271570a_100102525489_100000071718 [0,1,0,0,0,0|2,0,1]=4 399 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)C#N 1458a_100000070787_100012355662 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,1,0,0,0,0|2,0,0]=3 401 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,1,0,0,0,0|2,0,0]=3 402 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,1,0,0,0,0|2,0,0]=3 403 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,1,0,0,0,0|2,0,0]=3 404 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)C#N 1458a_100000070787_100010147163 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,1,0,0,0,0|2,0,0]=3 406 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,1,0,0,0,0|2,0,0]=3 407 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100000070787_100011217145 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200000210301 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C=O 1458a_100000070787_100010142638 [0,1,0,0,0,0|2,0,1]=4 410 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,1,0,0,0,0|3,0,0]=4 412 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,1,0,0,0,0|2,0,0]=3 417 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,1,0,0,0,0|2,0,0]=3 418 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,1,0,0,0,0|2,0,0]=3 420 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,1,0,0,0,0|2,0,0]=3 421 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,1,0,0,0,0|3,0,0]=4 424 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,1,0,0,0,0|2,0,0]=3 426 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,1,0,0,0,0|2,0,0]=3 430 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,1,0,0,0,0|2,0,0]=3 437 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,1,0,0,0,0|2,0,0]=3 441 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,1,0,0,0,0|2,0,0]=3 448 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,1,0,0,0,0|2,0,0]=3 449 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,1,0,0,0,0|2,0,0]=3 450 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,1,0,0,0,0|3,0,0]=4 454 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,1,0,0,0,0|3,0,0]=4 456 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,0,0,0,0|1,0,0]=2 460 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,0,0,0,0|1,0,0]=2 461 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,0,0,0,0|1,0,0]=2 462 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,0,0,0,0|2,0,0]=3 467 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,0,0,0,0|2,0,0]=3 468 B13R1.35 COc1coc(cc1=O)CC(=O)C 1458a_100000070787_100000081511 [0,1,0,0,0,0|2,0,1]=4 469 B13R1.35 [13CH3]C(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200025704644 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,1,0,0,0,0|2,0,0]=3 471 B13R1.52 CC(=Cc1ccc(c(c1)CO)O)C 271570a_100102525489_100000184703 [0,1,0,0,0,0|2,0,1]=4 472 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)Br 1458a_100000070787_100010128727 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)Cl 1458a_100000070787_100010147165 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)F 1458a_100000070787_100000687583 [0,1,0,0,0,0|3,0,0]=4 475 B13R1.52 CC(=O)Cc1ccc(c(c1)C#N)F 1458a_100011218018_200000210301 [0,1,0,0,0,0|3,0,0]=4 476 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,1,0,0,0,0|1,1,0]=3 477 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,1,0,0,0,0|1,1,0]=3 478 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000070787 [0,1,0,0,0,0|3,0,0]=4 479 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100103153847 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 22a_100012347228_100000070787 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 527a_100012347228_100103153847 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Cl 22a_100011273577_100000070787 [0,1,0,0,0,0|3,0,0]=4 483 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 22a_100011218011_100000070787 [0,1,0,0,0,0|3,0,0]=4 484 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 527a_100011218011_100103153847 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.52 CC(=O)Oc1ccc(c(c1)C=O)O 271570a_203496583355_100009816906 [0,1,0,0,0,0|2,0,1]=4 488 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,1,0,0,0,0|2,0,0]=3 489 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,1,0,0,0,0|2,0,0]=3 490 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,1,0,0,0,0|2,0,0]=3 500 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,1,0,0,0,0|2,0,0]=3 507 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,1,0,0,0,0|2,0,0]=3 509 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,1,0,0,0,0|3,0,0]=4 510 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,0,0,0,0|1,0,0]=2 519 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,0,0,0,0|1,0,0]=2 520 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,0,0,0,0|2,0,0]=3 521 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,0,0,0,0|2,0,0]=3 522 B13R1.52 COc1nc(ccc1Br)CC(=O)C 1458a_100000070787_200010066506 [0,1,0,0,0,0|3,0,0]=4 523 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,1,0,0,0,0|1,1,0]=3 524 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,1,0,0,0,0|1,1,0]=3 525 B13R1.52 [13CH3]C(=O)Cc1ccc(c(c1)C#N)F 1458a_100011218018_200025704644 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.510 CC(=C(C)c1ccc(c(c1)O)O)C 271570a_200000049429_100009813601 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,1,0,0,0,0|1,0,0]=2 529 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,1,0,0,0,0|1,0,0]=2 531 B13R1.518 NS(=O)(=O)Cc1ccc(c(c1)O)F 271570a_203496583355_100011405576 [0,1,0,0,0,0|2,0,1]=4 532 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100000070787_100010077255 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200000210301 [0,1,0,0,0,0|3,0,0]=4 534 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)Cl 1458a_100000070787_100010220947 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100000070787_100009813697 [0,1,0,0,0,0|3,0,0]=4 536 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200000210301 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200000210301 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000070787_100011830393 [0,1,0,0,0,0|3,0,0]=4 539 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100000070787_100012024439 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B13R1.876 CC(=O)Cc1cc(c(cc1F)Cl)F 1458a_100000070787_200012361342 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)C 1458a_100000070787_100012347589 [0,1,0,0,0,0|3,0,0]=4 543 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100000070787_100010994231 [0,1,0,0,0,0|3,0,0]=4 544 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200000210301 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000070787_100011218792 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200000210301 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)I 1458a_100000070787_100019984567 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.876 CC(=O)Nc1cc(c(cc1Br)O)Br 527a_100011080774_100103153847 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)O 22a_100009961766_100000070787 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 11a_100000720036_100015343762 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 22a_100000720036_100000070787 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 271570a_203496583355_100009992581 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 527a_100000720036_100103153847 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)F 271570a_203496583355_200013212116 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)O 22a_100000092876_100000070787 [0,1,0,0,0,0|3,0,0]=4 556 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 22a_100009886023_100000070787 [0,1,0,0,0,0|3,0,0]=4 557 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 527a_100009886023_100103153847 [0,1,0,0,0,0|3,0,0]=4 558 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 22a_100000117193_100000070787 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 527a_100000117193_100103153847 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000070787 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 22a_100011219470_100000070787 [0,1,0,0,0,0|3,0,0]=4 562 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 271570a_203496583355_200013902858 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 527a_100011219470_100103153847 [0,1,0,0,0,0|3,0,0]=4 564 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 22a_100020635945_100000070787 [0,1,0,0,0,0|3,0,0]=4 565 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 271570a_203496583355_200012359909 [0,1,0,0,0,0|3,0,0]=4 566 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 527a_100020635945_100103153847 [0,1,0,0,0,0|3,0,0]=4 567 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.2879 C#CC(=O)Cc1cc(=O)c(co1)O 1458a_100000211873_100000010605 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000211873_100012353900 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000211873_100012232412 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000211873_100012353894 [0,1,0,0,0,0|3,0,0]=4 577 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000211873_100011206884 [0,1,0,0,0,0|3,0,0]=4 578 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000211873_100000727479 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)C 1458a_100000211873_100000742320 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000211873_100012184735 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)C)F 1458a_100000211873_100011216667 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000211873_100012353895 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000211873_100011823929 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000211873_100000184707 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000211873_100000717365 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000211873_100012349665 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000211873_100000767054 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)C 1458a_100000211873_100011217369 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000211873_100000716492 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)F 1458a_100000211873_100000757363 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)F)I 1458a_100000211873_100010149604 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000211873_100010146616 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)C 1458a_100000211873_100010206137 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.2879 C#CC(=O)Cc1ccc(c(c1)I)F 1458a_100000211873_100010188208 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.2879 C=CC(=O)Cc1cc(=O)c(co1)O 1458a_100000185746_100000010605 [0,1,0,0,0,0|2,0,1]=4 596 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000185746_100012353900 [0,1,0,0,0,0|3,0,0]=4 597 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000185746_100012232412 [0,1,0,0,0,0|3,0,0]=4 598 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000185746_100012353894 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000185746_100011206884 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000185746_100000727479 [0,1,0,0,0,0|3,0,0]=4 601 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)C 1458a_100000185746_100000742320 [0,1,0,0,0,0|3,0,0]=4 602 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000185746_100012184735 [0,1,0,0,0,0|3,0,0]=4 603 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)C)F 1458a_100000185746_100011216667 [0,1,0,0,0,0|3,0,0]=4 604 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000185746_100012353895 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000185746_100011823929 [0,1,0,0,0,0|3,0,0]=4 606 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000185746_100000184707 [0,1,0,0,0,0|3,0,0]=4 607 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000185746_100000717365 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000185746_100012349665 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000185746_100000767054 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)C 1458a_100000185746_100011217369 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000185746_100000716492 [0,1,0,0,0,0|3,0,0]=4 612 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)F 1458a_100000185746_100000757363 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)F)I 1458a_100000185746_100010149604 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000185746_100010146616 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)C 1458a_100000185746_100010206137 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.2879 C=CC(=O)Cc1ccc(c(c1)I)F 1458a_100000185746_100010188208 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000185746 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000185746 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000185746 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000185746 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000185746 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000185746 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000185746 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185746 [0,1,0,0,0,0|2,0,0]=3 625 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)O 34a_100102946323_100012180447 [0,1,0,0,0,0|2,0,1]=4 626 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)O 62a_100012180447_100009813601 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.2879 CCC(=O)Cc1cc(=O)c(co1)O 1458a_100000210414_100000010605 [0,1,0,0,0,0|2,0,1]=4 628 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000210414_100012353900 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000210414_100012232412 [0,1,0,0,0,0|3,0,0]=4 630 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_100000210202 [0,1,0,0,0,0|3,0,0]=4 631 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000210414_100012353894 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100000210202 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000210414_100011206884 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_100000210202 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210202 [0,1,0,0,0,0|2,0,0]=3 636 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100000210414_100000727479 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_100000210202 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_100000210202 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)C 1458a_100000210414_100000742320 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000210414_100012184735 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100000210414_100011216667 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_100000210202 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210202 [0,1,0,0,0,0|2,0,0]=3 644 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000210414_100012353895 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100000210202 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000210414_100011823929 [0,1,0,0,0,0|3,0,0]=4 647 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210414_100000184707 [0,1,0,0,0,0|3,0,0]=4 648 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100000210202 [0,1,0,0,0,0|3,0,0]=4 649 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000210414_100000717365 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100000210202 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000210414_100012349665 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210202 [0,1,0,0,0,0|2,0,0]=3 653 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000210414_100000767054 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_100000210202 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100000210414_100011217369 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_100000210202 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000210414_100000716492 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100000210202 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000210414_100000757363 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_100000210202 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100000210414_100010149604 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_100000210202 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210202 [0,1,0,0,0,0|2,0,0]=3 664 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)Br 1458a_100000210414_100010146616 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)C 1458a_100000210414_100010206137 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.2879 CCC(=O)Cc1ccc(c(c1)I)F 1458a_100000210414_100010188208 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210202 [0,1,0,0,0,0|2,0,0]=3 668 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [0,1,0,0,0,0|1,0,0]=2 669 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210414 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210414 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210414 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210414 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210414 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210414 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000210414 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000210414 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000210414 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000210414 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000210414 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210414 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000210414 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000210414 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210414 [0,1,0,0,0,0|2,0,0]=3 684 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210414 [0,1,0,0,0,0|2,0,0]=3 685 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 11a_106832991635_100000709925 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 240690a_100102657272_100000709925 [0,1,0,0,0,0|3,0,0]=4 687 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 527a_100102657272_100000709925 [0,1,0,0,0,0|3,0,0]=4 688 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 11a_106832991635_100012349508 [0,1,0,0,0,0|3,0,0]=4 689 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100012349508 [0,1,0,0,0,0|3,0,0]=4 690 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 527a_100102657272_100012349508 [0,1,0,0,0,0|3,0,0]=4 691 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 11a_106832991635_100000742997 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 240690a_100102657272_100000742997 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 527a_100102657272_100000742997 [0,1,0,0,0,0|3,0,0]=4 694 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 240690a_100102657272_100009990404 [0,1,0,0,0,0|2,0,0]=3 695 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 527a_100102657272_100009990404 [0,1,0,0,0,0|2,0,0]=3 696 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 11a_106832991635_100012340274 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 240690a_100102657272_100012340274 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 527a_100102657272_100012340274 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 11a_106832991635_100000184070 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 240690a_100102657272_100000184070 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 527a_100102657272_100000184070 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 11a_106832991635_100011667458 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 240690a_100102657272_100011667458 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 527a_100102657272_100011667458 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 240690a_100102657272_100000083968 [0,1,0,0,0,0|2,0,0]=3 706 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 527a_100102657272_100000083968 [0,1,0,0,0,0|2,0,0]=3 707 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 11a_106832991635_100000766880 [0,1,0,0,0,0|3,0,0]=4 708 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 240690a_100102657272_100000766880 [0,1,0,0,0,0|3,0,0]=4 709 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 527a_100102657272_100000766880 [0,1,0,0,0,0|3,0,0]=4 710 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000210702 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210702 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 527a_100102657272_100000210702 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 11a_106832991635_100011217296 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 1626a_100102657272_100011217296 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 240690a_100102657272_100011217296 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 527a_100102657272_100011217296 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100102657272_100000035197 [0,1,0,0,0,0|2,0,0]=3 718 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 527a_100102657272_100000035197 [0,1,0,0,0,0|2,0,0]=3 719 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 11a_106832991635_100000691132 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 240690a_100102657272_100000691132 [0,1,0,0,0,0|3,0,0]=4 721 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 527a_100102657272_100000691132 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 11a_106832991635_100011217375 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 240690a_100102657272_100011217375 [0,1,0,0,0,0|3,0,0]=4 724 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 527a_100102657272_100011217375 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 11a_106832991635_100000722404 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 240690a_100102657272_100000722404 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 527a_100102657272_100000722404 [0,1,0,0,0,0|3,0,0]=4 728 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 11a_106832991635_100000684721 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 1626a_100102657272_100000684721 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 240690a_100102657272_100000684721 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 527a_100102657272_100000684721 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 11a_106832991635_100010149632 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 1626a_100102657272_100010149632 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 240690a_100102657272_100010149632 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 527a_100102657272_100010149632 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 240690a_100102657272_100000039761 [0,1,0,0,0,0|2,0,0]=3 737 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 527a_100102657272_100000039761 [0,1,0,0,0,0|2,0,0]=3 738 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 11a_106832991635_100000082272 [0,1,0,0,0,0|2,0,0]=3 739 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 240690a_100102657272_100000082272 [0,1,0,0,0,0|2,0,0]=3 740 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 527a_100102657272_100000082272 [0,1,0,0,0,0|2,0,0]=3 741 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [0,1,0,0,0,0|1,0,0]=2 742 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)O 2430a_100011534360_100102657272 [0,1,0,0,0,0|3,0,0]=4 743 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)O 2430a_100011218179_100102657272 [0,1,0,0,0,0|3,0,0]=4 744 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)O 2430a_100000744943_100102657272 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)O 2430a_100011220035_100102657272 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)C 2430a_100000759471_100102657272 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)Cl 2430a_100011934209_100102657272 [0,1,0,0,0,0|3,0,0]=4 748 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)F 2430a_100012017398_100102657272 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100102657272 [0,1,0,0,0,0|2,0,0]=3 750 B13R1.2879 COC(=O)Cc1cc(c(cn1)C)O 271570a_203496583355_100015669916 [0,1,0,0,0,0|2,0,0]=3 751 B13R1.2879 COC(=O)Cc1cc(c(nn1)O)C 271570a_203496583355_100010742824 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)O 271570a_203496583355_100010371902 [0,1,0,0,0,0|1,0,0]=2 753 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)F 271570a_203496583355_100011435807 [0,1,0,0,0,0|1,0,0]=2 754 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222482 [0,1,0,0,0,0|0,0,0]=1 755 B13R1.2879 COC(=O)Nc1ccc(c(c1)N)O 271570a_203496583355_100012639261 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.2879 COC(C)Sc1ccc(c(c1)O)O 62a_100009879195_100009813601 [0,1,0,0,0,0|2,0,1]=4 757 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)O 62a_100016084084_100009813601 [0,1,0,0,0,0|2,0,1]=4 758 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CF 1458a_100012340274_100015361967 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100000727479 [0,1,0,0,0,0|2,0,0]=3 760 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 22a_100000210723_100000210174 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 527a_100000210723_100000210174 [0,1,0,0,0,0|3,0,0]=4 762 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,1,0,0,0,0|2,0,0]=3 763 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 22a_100000187808_100000210174 [0,1,0,0,0,0|3,0,0]=4 764 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 527a_100000187808_100000210174 [0,1,0,0,0,0|3,0,0]=4 765 B13R1.2879 Cc1cc(ccc1F)CC(=O)CF 1458a_100011667458_100015361967 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.2879 Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100011216667 [0,1,0,0,0,0|2,0,0]=3 767 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 22a_100000750164_100000210174 [0,1,0,0,0,0|3,0,0]=4 768 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 527a_100000750164_100000210174 [0,1,0,0,0,0|3,0,0]=4 769 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 22a_100000198070_100000210174 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 527a_100000198070_100000210174 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.2879 Cc1cc(ccc1O)CC(=O)CF 1458a_100000083968_100015361967 [0,1,0,0,0,0|2,0,0]=3 772 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 22a_100011218179_100000210174 [0,1,0,0,0,0|2,0,0]=3 773 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 527a_100011218179_100000210174 [0,1,0,0,0,0|2,0,0]=3 774 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CF 1458a_100000709925_100015361967 [0,1,0,0,0,0|3,0,0]=4 775 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_100012232412 [0,1,0,0,0,0|2,0,0]=3 776 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 22a_100000736455_100000210174 [0,1,0,0,0,0|3,0,0]=4 777 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 527a_100000736455_100000210174 [0,1,0,0,0,0|3,0,0]=4 778 B13R1.2879 Cc1ccc(cc1C)CC(=O)CF 1458a_100000184070_100015361967 [0,1,0,0,0,0|3,0,0]=4 779 B13R1.2879 Cc1ccc(cc1C)CC(=O)CO 1458a_100000210174_100000742320 [0,1,0,0,0,0|2,0,0]=3 780 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 22a_100000724040_100000210174 [0,1,0,0,0,0|3,0,0]=4 781 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 527a_100000724040_100000210174 [0,1,0,0,0,0|3,0,0]=4 782 B13R1.2879 Cc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100011823929 [0,1,0,0,0,0|2,0,0]=3 783 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 22a_100000188892_100000210174 [0,1,0,0,0,0|3,0,0]=4 784 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 527a_100000188892_100000210174 [0,1,0,0,0,0|3,0,0]=4 785 B13R1.2879 Cc1ccc(cc1F)CC(=O)CF 1458a_100011217375_100015361967 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.2879 Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100011217369 [0,1,0,0,0,0|2,0,0]=3 787 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 22a_100000210958_100000210174 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 527a_100000210958_100000210174 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.2879 Cc1ccc(cc1I)CC(=O)CO 1458a_100000210174_100010206137 [0,1,0,0,0,0|2,0,0]=3 790 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 22a_100000184131_100000210174 [0,1,0,0,0,0|3,0,0]=4 791 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 527a_100000184131_100000210174 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.2879 Cc1ccc(cc1O)CC(=O)CF 1458a_100000082272_100015361967 [0,1,0,0,0,0|2,0,0]=3 793 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 22a_100000759471_100000210174 [0,1,0,0,0,0|2,0,0]=3 794 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 527a_100000759471_100000210174 [0,1,0,0,0,0|2,0,0]=3 795 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100015361967 [0,1,0,0,0,0|3,0,0]=4 796 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)F 1458a_100000742997_100015361967 [0,1,0,0,0,0|3,0,0]=4 797 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)O 1458a_100009990404_100015361967 [0,1,0,0,0,0|2,0,0]=3 798 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100015361967 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100015361967 [0,1,0,0,0,0|3,0,0]=4 800 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100015361967 [0,1,0,0,0,0|3,0,0]=4 801 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100015361967 [0,1,0,0,0,0|2,0,0]=3 802 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Br 1458a_100000691132_100015361967 [0,1,0,0,0,0|3,0,0]=4 803 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100015361967 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)F 1458a_100000684721_100015361967 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)I 1458a_100010149632_100015361967 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)O 1458a_100000039761_100015361967 [0,1,0,0,0,0|2,0,0]=3 807 B13R1.2879 O=C(CF)Cc1ccc(c(c1)O)O 1458a_100000031429_100015361967 [0,1,0,0,0,0|1,0,0]=2 808 B13R1.2879 O=C(CO)Cc1cc(=O)c(co1)O 1458a_100000210174_100000010605 [0,1,0,0,0,0|1,0,1]=3 809 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Br 1458a_100000210174_100012353900 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,1,0,0,0,0|2,0,0]=3 811 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)F 1458a_100000210174_100011206884 [0,1,0,0,0,0|2,0,0]=3 812 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Br 1458a_100000210174_100012353895 [0,1,0,0,0,0|2,0,0]=3 813 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,1,0,0,0,0|2,0,0]=3 814 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)F 1458a_100000210174_100000717365 [0,1,0,0,0,0|2,0,0]=3 815 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)I 1458a_100000210174_100012349665 [0,1,0,0,0,0|2,0,0]=3 816 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Br 1458a_100000210174_100000767054 [0,1,0,0,0,0|2,0,0]=3 817 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,1,0,0,0,0|2,0,0]=3 818 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)F 1458a_100000210174_100000757363 [0,1,0,0,0,0|2,0,0]=3 819 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)I 1458a_100000210174_100010149604 [0,1,0,0,0,0|2,0,0]=3 820 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)Br 1458a_100000210174_100010146616 [0,1,0,0,0,0|2,0,0]=3 821 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)F 1458a_100000210174_100010188208 [0,1,0,0,0,0|2,0,0]=3 822 B13R1.2879 O=C(CO)Cc1cnc(c(c1)Br)F 1458a_100000210174_200010066439 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.2879 O=C(CO)Cc1cnc(c(c1)Cl)Cl 1458a_100000210174_100009843750 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.2879 O=C(CO)Cc1cnc(c(c1)I)Cl 1458a_100000210174_100011072623 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000210174 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 527a_100011306057_100000210174 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000210174 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100000210174 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 22a_100000760356_100000210174 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 527a_100000760356_100000210174 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 22a_100000750458_100000210174 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 527a_100000750458_100000210174 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210174 [0,1,0,0,0,0|2,0,0]=3 834 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210174 [0,1,0,0,0,0|2,0,0]=3 835 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000210174 [0,1,0,0,0,0|3,0,0]=4 836 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100000210174 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000210174 [0,1,0,0,0,0|3,0,0]=4 838 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100000210174 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000210174 [0,1,0,0,0,0|3,0,0]=4 840 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 527a_100000211060_100000210174 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000210174 [0,1,0,0,0,0|3,0,0]=4 842 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210174 [0,1,0,0,0,0|2,0,0]=3 843 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 22a_100000759894_100000210174 [0,1,0,0,0,0|3,0,0]=4 844 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 527a_100000759894_100000210174 [0,1,0,0,0,0|3,0,0]=4 845 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000210174 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)F 22a_100000210724_100000210174 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)I 22a_100011356925_100000210174 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 22a_100011220035_100000210174 [0,1,0,0,0,0|2,0,0]=3 849 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 527a_100011220035_100000210174 [0,1,0,0,0,0|2,0,0]=3 850 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 22a_100000750459_100000210174 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 527a_100000750459_100000210174 [0,1,0,0,0,0|3,0,0]=4 852 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000210174 [0,1,0,0,0,0|3,0,0]=4 853 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 527a_100012360549_100000210174 [0,1,0,0,0,0|3,0,0]=4 854 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 22a_114828291077_100000210174 [0,1,0,0,0,0|3,0,0]=4 855 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 527a_114828291077_100000210174 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210174 [0,1,0,0,0,0|2,0,0]=3 857 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 22a_100012017398_100000210174 [0,1,0,0,0,0|2,0,0]=3 858 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 527a_100012017398_100000210174 [0,1,0,0,0,0|2,0,0]=3 859 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 22a_100102946323_100000210174 [0,1,0,0,0,0|1,0,0]=2 860 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 527a_100102946323_100000210174 [0,1,0,0,0,0|1,0,0]=2 861 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_100000070787_100016216887 [0,1,0,0,0,0|3,0,0]=4 862 B13R1.3528 CC(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200000210301 [0,1,0,0,0,0|3,0,0]=4 863 B13R1.3528 CC(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200000210301 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200000210301 [0,1,0,0,0,0|3,0,0]=4 865 B13R1.3528 CC(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000070787_100009814552 [0,1,0,0,0,0|3,0,0]=4 866 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100000070787_100009813564 [0,1,0,0,0,0|3,0,0]=4 867 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)C 1458a_100011217901_200000210301 [0,1,0,0,0,0|3,0,0]=4 868 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100000070787_100011218744 [0,1,0,0,0,0|3,0,0]=4 869 B13R1.3528 CC(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200000210301 [0,1,0,0,0,0|3,0,0]=4 870 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 11a_200011216674_100015343762 [0,1,0,0,0,0|3,0,0]=4 871 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 22a_200011216674_100000070787 [0,1,0,0,0,0|3,0,0]=4 872 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 527a_200011216674_100103153847 [0,1,0,0,0,0|3,0,0]=4 873 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)O 527a_100012017499_100103153847 [0,1,0,0,0,0|3,0,0]=4 874 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 11a_100000036876_100015343762 [0,1,0,0,0,0|3,0,0]=4 875 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 22a_100000036876_100000070787 [0,1,0,0,0,0|3,0,0]=4 876 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 11a_200000126710_100015343762 [0,1,0,0,0,0|3,0,0]=4 877 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 22a_200000126710_100000070787 [0,1,0,0,0,0|3,0,0]=4 878 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 527a_200000126710_100103153847 [0,1,0,0,0,0|3,0,0]=4 879 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 22a_200000098347_100000070787 [0,1,0,0,0,0|3,0,0]=4 880 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 527a_200000098347_100103153847 [0,1,0,0,0,0|3,0,0]=4 881 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 22a_100015204651_100000070787 [0,1,0,0,0,0|3,0,0]=4 882 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 527a_100015204651_100103153847 [0,1,0,0,0,0|3,0,0]=4 883 B13R1.3528 Cc1ccc(c(c1F)F)CC(=O)[13CH3] 1458a_100011217901_200025704644 [0,1,0,0,0,0|3,0,0]=4 884 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Br)F)F 1458a_200015693364_200025704644 [0,1,0,0,0,0|3,0,0]=4 885 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1Cl)F)F 1458a_200010154634_200025704644 [0,1,0,0,0,0|3,0,0]=4 886 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)Cl)F 1458a_100000062224_200025704644 [0,1,0,0,0,0|3,0,0]=4 887 B13R1.3528 [13CH3]C(=O)Cc1ccc(c(c1F)F)F 1458a_100011217297_200025704644 [0,1,0,0,0,0|3,0,0]=4 888 B13R1.3763 CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200000210301 [0,1,0,0,0,0|2,0,0]=3 889 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)F)C 1458a_100000069598_200000210301 [0,1,0,0,0,0|3,0,0]=4 890 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)F)C 1458a_100000070787_100011352456 [0,1,0,0,0,0|3,0,0]=4 891 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)O)C 1458a_200000099080_200000210301 [0,1,0,0,0,0|2,0,0]=3 892 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)Cl)F 1458a_100000070787_100010769323 [0,1,0,0,0,0|3,0,0]=4 893 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)F)F 1458a_100000070787_100011216845 [0,1,0,0,0,0|3,0,0]=4 894 B13R1.3763 CC(=O)Cc1cc(c(c(c1)F)F)F 1458a_100011217689_200000210301 [0,1,0,0,0,0|3,0,0]=4 895 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100000070787 [0,1,0,0,0,0|3,0,0]=4 896 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100103153847 [0,1,0,0,0,0|3,0,0]=4 897 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 11a_100010064301_100015343762 [0,1,0,0,0,0|3,0,0]=4 898 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 22a_100010064301_100000070787 [0,1,0,0,0,0|3,0,0]=4 899 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 527a_100010064301_100103153847 [0,1,0,0,0,0|3,0,0]=4 900 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 11a_100000703291_100015343762 [0,1,0,0,0,0|3,0,0]=4 901 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 1626a_100000703291_100015343762 [0,1,0,0,0,0|3,0,0]=4 902 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 22a_100000703291_100000070787 [0,1,0,0,0,0|3,0,0]=4 903 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 271570a_203496583355_200012340666 [0,1,0,0,0,0|3,0,0]=4 904 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 527a_100000703291_100103153847 [0,1,0,0,0,0|3,0,0]=4 905 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)O 22a_100015839415_100000070787 [0,1,0,0,0,0|3,0,0]=4 906 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 22a_100000695418_100000070787 [0,1,0,0,0,0|3,0,0]=4 907 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 271570a_203496583355_106256037338 [0,1,0,0,0,0|3,0,0]=4 908 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 527a_100000695418_100103153847 [0,1,0,0,0,0|3,0,0]=4 909 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 1626a_100016987357_100015343762 [0,1,0,0,0,0|3,0,0]=4 910 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 22a_100016987357_100000070787 [0,1,0,0,0,0|3,0,0]=4 911 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 527a_100016987357_100103153847 [0,1,0,0,0,0|3,0,0]=4 912 B13R1.3763 Cc1cc(cc(c1F)C)CC(=O)[13CH3] 1458a_100000069598_200025704644 [0,1,0,0,0,0|3,0,0]=4 913 B13R1.3763 Cc1cc(cc(c1O)C)CC(=O)[13CH3] 1458a_200000099080_200025704644 [0,1,0,0,0,0|2,0,0]=3 914 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)F)F)F 1458a_100011217689_200025704644 [0,1,0,0,0,0|3,0,0]=4 916 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [0,0,0,1,0,0|3,0,0]=4 917 B13R2.13083 Cc1cc2[nH]c(=O)[nH]c2cc1O 271570a_203496583355_100010107294 [0,0,0,1,0,0|3,0,0]=4 918 B13R2.13083 Cc1cc2c(cc1O)CC(=O)N2 271570a_203496583355_100010201617 [0,0,0,1,0,0|2,0,0]=3 919 B13R2.13083 O=C1Cc2cc(c(cc2N1)Cl)O 271570a_203496583355_100012929135 [0,0,0,1,0,0|2,0,0]=3 920 B13R2.13083 O=C1Cc2cc(c(cc2N1)F)O 271570a_203496583355_100000727509 [0,0,0,1,0,0|2,0,0]=3 921 B13R2.13083 O=C1Cc2cc(c(cc2N1)O)F 271570a_203496583355_200010218348 [0,0,0,1,0,0|2,0,0]=3 922 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,0,0,0,1,0|3,0,0]=4 923 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,0,0,0,1,0|3,0,0]=4 924 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,0,0,0,1,0|3,0,0]=4 925 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,0,0,0,1,0|3,0,0]=4 926 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,0,0,0,1,0|3,0,0]=4 927 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,0,0,0,1,0|3,0,0]=4 928 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,0,0,0,1,0|3,0,0]=4 929 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,0,0,0,1,0|3,0,0]=4 930 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,0,0,0,1,0|3,0,0]=4 931 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,0,0,0,1,0|3,0,0]=4 932 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,0,0,0,1,0|2,0,0]=3 933 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,0,0,0,1,0|3,0,0]=4 934 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,0,0,0,1,0|3,0,0]=4 935 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,0,0,0,1,0|3,0,0]=4 936 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,0,0,0,1,0|3,0,0]=4 937 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,0,0,0,1,0|3,0,0]=4 938 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,0,0,0,1,0|3,0,0]=4 939 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,0,0,0,1,0|2,0,0]=3 940 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,0,0,0,1,0|2,0,0]=3 941 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,0,0,0,1,0|3,0,0]=4 942 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,0,0,0,1,0|3,0,0]=4 943 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,0,0,0,1,0|3,0,0]=4 944 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,0,0,0,1,0|3,0,0]=4 945 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,0,0,0,1,0|3,0,0]=4 946 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,0,0,0,1,0|2,0,0]=3 947 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,0,0,0,1,0|2,0,0]=3 948 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,0,0,0,1,0|3,0,0]=4 949 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,0,0,0,1,0|3,0,0]=4 950 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,0,0,0,1,0|3,0,0]=4 951 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,0,0,0,1,0|3,0,0]=4 952 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,0,0,0,1,0|3,0,0]=4 953 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,0,0,0,1,0|2,0,0]=3 954 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,0,0,0,1,0|3,0,0]=4 955 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,0,0,0,1,0|3,0,0]=4 956 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,0,0,0,1,0|3,0,0]=4 957 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,0,0,0,1,0|3,0,0]=4 958 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,0,0,0,1,0|3,0,0]=4 959 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,0,0,0,1,0|2,0,0]=3 960 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,0,0,0,1,0|2,0,0]=3 961 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,0,0,0,1,0|3,0,0]=4 962 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,0,0,0,1,0|3,0,0]=4 963 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,0,0,0,1,0|3,0,0]=4 964 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,0,0,0,1,0|3,0,0]=4 965 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,0,0,0,1,0|3,0,0]=4 966 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,0,0,0,1,0|2,0,0]=3 967 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,0,0,0,1,0|2,0,0]=3 968 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,0,0,0,1,0|2,0,0]=3 969 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,0,0,0,1,0|2,0,0]=3 970 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,0,0,0,1,0|2,0,0]=3 971 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,0,0,0,1,0|2,0,0]=3 972 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,0,0,0,1,0|2,0,0]=3 973 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,0,0,0,1,0|2,0,0]=3 974 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,0,0,0,1,0|2,0,0]=3 975 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,0,0,0,1,0|2,0,0]=3 976 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,0,0,0,1,0|2,0,0]=3 977 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,0,0,0,1,0|1,0,0]=2 978 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,0,0,0,1,0|1,0,0]=2 979 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,0,0,0,1,0|3,0,0]=4 980 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,0,0,0,1,0|3,0,0]=4 981 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,0,0,0,1,0|2,0,1]=4 982 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,0,0,0,1,0|3,0,0]=4 983 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,0,0,0,1,0|3,0,0]=4 984 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,0,0,0,1,0|3,0,0]=4 985 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,0,0,0,1,0|3,0,0]=4 986 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,0,0,0,1,0|2,0,1]=4 987 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,0,0,0,1,0|2,0,0]=3 988 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,0,0,0,1,0|2,0,0]=3 989 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,0,0,0,1,0|3,0,0]=4 990 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,0,0,0,1,0|3,0,0]=4 991 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,0,0,0,1,0|3,0,0]=4 992 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,0,0,0,1,0|3,0,0]=4 993 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,0,0,0,1,0|3,0,0]=4 994 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,0,0,0,1,0|2,0,1]=4 995 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,0,0,0,1,0|2,0,0]=3 996 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,0,0,0,1,0|2,0,0]=3 997 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,0,0,0,1,0|2,0,0]=3 998 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,0,0,0,1,0|2,0,0]=3 999 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,0,0,0,1,0|2,0,0]=3 1000 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,0,0,0,1,0|1,0,0]=2 1001 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,0,0,0,1,0|2,0,1]=4 1002 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,0,0,0,1,0|2,0,1]=4 1003 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,0,0,0,1,0|3,0,0]=4 1004 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,0,0,0,1,0|3,0,0]=4 1005 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,0,0,0,1,0|3,0,0]=4 1006 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,0,0,0,1,0|3,0,0]=4 1007 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,0,0,0,1,0|2,0,0]=3 1008 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,0,0,0,1,0|3,0,0]=4 1009 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,0,0,0,1,0|3,0,0]=4 1010 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,0,0,0,1,0|3,0,0]=4 1011 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,0,0,0,1,0|3,0,0]=4 1012 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,0,0,0,1,0|2,0,0]=3 1013 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,0,0,0,1,0|3,0,0]=4 1014 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,0,0,0,1,0|3,0,0]=4 1015 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,0,0,0,1,0|3,0,0]=4 1016 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,0,0,0,1,0|3,0,0]=4 1017 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,0,0,0,1,0|2,0,0]=3 1018 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,0,0,0,1,0|3,0,0]=4 1019 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,0,0,0,1,0|3,0,0]=4 1020 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,0,0,0,1,0|3,0,0]=4 1021 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,0,0,0,1,0|3,0,0]=4 1022 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,0,0,0,1,0|2,0,0]=3 1023 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,0,0,0,1,0|2,0,0]=3 1024 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,0,0,0,1,0|2,0,0]=3 1025 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,0,0,0,1,0|2,0,0]=3 1026 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,0,0,0,1,0|2,0,0]=3 1027 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,0,0,0,1,0|1,0,0]=2 1028 B13R1.511 C=C(C)CNc1ccc(c(c1)Br)O 34a_100011534360_100000748629 [0,0,0,0,0,1|3,0,0]=4 1029 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 34a_100011218179_100000748629 [0,0,0,0,0,1|3,0,0]=4 1030 B13R1.511 C=C(C)CNc1ccc(c(c1)C)O 7a_100011218179_100000748629 [0,0,0,0,0,1|3,0,0]=4 1031 B13R1.511 C=C(C)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000748629 [0,0,0,0,0,1|3,0,0]=4 1032 B13R1.511 C=C(C)CNc1ccc(c(c1)F)O 34a_100011220035_100000748629 [0,0,0,0,0,1|3,0,0]=4 1033 B13R1.511 C=C(C)CNc1ccc(c(c1)F)O 7a_100011220035_100000748629 [0,0,0,0,0,1|3,0,0]=4 1034 B13R1.511 C=C(C)CNc1ccc(c(c1)O)C 34a_100000759471_100000748629 [0,0,0,0,0,1|3,0,0]=4 1035 B13R1.511 C=C(C)CNc1ccc(c(c1)O)C 7a_100000759471_100000748629 [0,0,0,0,0,1|3,0,0]=4 1036 B13R1.511 C=C(C)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000748629 [0,0,0,0,0,1|3,0,0]=4 1037 B13R1.511 C=C(C)CNc1ccc(c(c1)O)F 34a_100012017398_100000748629 [0,0,0,0,0,1|3,0,0]=4 1038 B13R1.511 C=C(C)CNc1ccc(c(c1)O)F 7a_100012017398_100000748629 [0,0,0,0,0,1|3,0,0]=4 1039 B13R1.511 C=C(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000748629 [0,0,0,0,0,1|2,0,0]=3 1040 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)O 62a_100000748629_100012361655 [0,0,0,0,0,1|3,0,0]=4 1041 B13R1.511 C=C(C)CSc1ccc(c(c1)Br)O 62a_100012361655_100000211660 [0,0,0,0,0,1|3,0,0]=4 1042 B13R1.511 C=C(C)CSc1ccc(c(c1)C)O 62a_100000748629_100000186361 [0,0,0,0,0,1|3,0,0]=4 1043 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)O 62a_100000748629_100012360047 [0,0,0,0,0,1|3,0,0]=4 1044 B13R1.511 C=C(C)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000211660 [0,0,0,0,0,1|3,0,0]=4 1045 B13R1.511 C=C(C)CSc1ccc(c(c1)F)O 62a_100000185481_100000211660 [0,0,0,0,0,1|3,0,0]=4 1046 B13R1.511 C=C(C)CSc1ccc(c(c1)F)O 62a_100000748629_100000185481 [0,0,0,0,0,1|3,0,0]=4 1047 B13R1.511 C=C(C)CSc1ccc(c(c1)N)O 62a_100000748629_100000752626 [0,0,0,0,0,1|3,0,0]=4 1048 B13R1.511 C=C(C)CSc1ccc(c(c1)N)O 62a_100000752626_100000211660 [0,0,0,0,0,1|3,0,0]=4 1049 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Br 62a_100000748629_100012356990 [0,0,0,0,0,1|3,0,0]=4 1050 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Br 62a_100012356990_100000211660 [0,0,0,0,0,1|3,0,0]=4 1051 B13R1.511 C=C(C)CSc1ccc(c(c1)O)C 62a_100000685420_100000211660 [0,0,0,0,0,1|3,0,0]=4 1052 B13R1.511 C=C(C)CSc1ccc(c(c1)O)C 62a_100000748629_100000685420 [0,0,0,0,0,1|3,0,0]=4 1053 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Cl 62a_100000748629_100011356854 [0,0,0,0,0,1|3,0,0]=4 1054 B13R1.511 C=C(C)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000211660 [0,0,0,0,0,1|3,0,0]=4 1055 B13R1.511 C=C(C)CSc1ccc(c(c1)O)F 62a_100000686035_100000211660 [0,0,0,0,0,1|3,0,0]=4 1056 B13R1.511 C=C(C)CSc1ccc(c(c1)O)F 62a_100000748629_100000686035 [0,0,0,0,0,1|3,0,0]=4 1057 B13R1.511 C=C(C)CSc1ccc(c(c1)O)N 62a_100000739049_100000211660 [0,0,0,0,0,1|3,0,0]=4 1058 B13R1.511 C=C(C)CSc1ccc(c(c1)O)N 62a_100000748629_100000739049 [0,0,0,0,0,1|3,0,0]=4 1059 B13R1.511 C=C(C)CSc1ccc(c(c1)O)O 62a_100000748629_100009813601 [0,0,0,0,0,1|2,0,0]=3 1060 B13R1.511 C=C(F)CNc1ccc(c(c1)Br)O 34a_100011534360_100009893438 [0,0,0,0,0,1|3,0,0]=4 1061 B13R1.511 C=C(F)CNc1ccc(c(c1)C)O 34a_100011218179_100009893438 [0,0,0,0,0,1|3,0,0]=4 1062 B13R1.511 C=C(F)CNc1ccc(c(c1)C)O 7a_100011218179_100000042424 [0,0,0,0,0,1|3,0,0]=4 1063 B13R1.511 C=C(F)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009893438 [0,0,0,0,0,1|3,0,0]=4 1064 B13R1.511 C=C(F)CNc1ccc(c(c1)F)O 34a_100011220035_100009893438 [0,0,0,0,0,1|3,0,0]=4 1065 B13R1.511 C=C(F)CNc1ccc(c(c1)F)O 7a_100011220035_100000042424 [0,0,0,0,0,1|3,0,0]=4 1066 B13R1.511 C=C(F)CNc1ccc(c(c1)O)C 34a_100000759471_100009893438 [0,0,0,0,0,1|3,0,0]=4 1067 B13R1.511 C=C(F)CNc1ccc(c(c1)O)C 7a_100000759471_100000042424 [0,0,0,0,0,1|3,0,0]=4 1068 B13R1.511 C=C(F)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009893438 [0,0,0,0,0,1|3,0,0]=4 1069 B13R1.511 C=C(F)CNc1ccc(c(c1)O)F 34a_100012017398_100009893438 [0,0,0,0,0,1|3,0,0]=4 1070 B13R1.511 C=C(F)CNc1ccc(c(c1)O)F 7a_100012017398_100000042424 [0,0,0,0,0,1|3,0,0]=4 1071 B13R1.511 C=C(F)CNc1ccc(c(c1)O)O 34a_100102946323_100009893438 [0,0,0,0,0,1|2,0,0]=3 1072 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)O 62a_100000042424_100012361655 [0,0,0,0,0,1|3,0,0]=4 1073 B13R1.511 C=C(F)CSc1ccc(c(c1)Br)O 62a_100012361655_100000042424 [0,0,0,0,0,1|3,0,0]=4 1074 B13R1.511 C=C(F)CSc1ccc(c(c1)C)O 62a_100000042424_100000186361 [0,0,0,0,0,1|3,0,0]=4 1075 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)O 62a_100000042424_100012360047 [0,0,0,0,0,1|3,0,0]=4 1076 B13R1.511 C=C(F)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000042424 [0,0,0,0,0,1|3,0,0]=4 1077 B13R1.511 C=C(F)CSc1ccc(c(c1)F)O 62a_100000042424_100000185481 [0,0,0,0,0,1|3,0,0]=4 1078 B13R1.511 C=C(F)CSc1ccc(c(c1)F)O 62a_100000185481_100000042424 [0,0,0,0,0,1|3,0,0]=4 1079 B13R1.511 C=C(F)CSc1ccc(c(c1)N)O 62a_100000042424_100000752626 [0,0,0,0,0,1|3,0,0]=4 1080 B13R1.511 C=C(F)CSc1ccc(c(c1)N)O 62a_100000752626_100000042424 [0,0,0,0,0,1|3,0,0]=4 1081 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Br 62a_100000042424_100012356990 [0,0,0,0,0,1|3,0,0]=4 1082 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Br 62a_100012356990_100000042424 [0,0,0,0,0,1|3,0,0]=4 1083 B13R1.511 C=C(F)CSc1ccc(c(c1)O)C 62a_100000042424_100000685420 [0,0,0,0,0,1|3,0,0]=4 1084 B13R1.511 C=C(F)CSc1ccc(c(c1)O)C 62a_100000685420_100000042424 [0,0,0,0,0,1|3,0,0]=4 1085 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Cl 62a_100000042424_100011356854 [0,0,0,0,0,1|3,0,0]=4 1086 B13R1.511 C=C(F)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000042424 [0,0,0,0,0,1|3,0,0]=4 1087 B13R1.511 C=C(F)CSc1ccc(c(c1)O)F 62a_100000042424_100000686035 [0,0,0,0,0,1|3,0,0]=4 1088 B13R1.511 C=C(F)CSc1ccc(c(c1)O)F 62a_100000686035_100000042424 [0,0,0,0,0,1|3,0,0]=4 1089 B13R1.511 C=C(F)CSc1ccc(c(c1)O)N 62a_100000042424_100000739049 [0,0,0,0,0,1|3,0,0]=4 1090 B13R1.511 C=C(F)CSc1ccc(c(c1)O)N 62a_100000739049_100000042424 [0,0,0,0,0,1|3,0,0]=4 1091 B13R1.511 C=C(F)CSc1ccc(c(c1)O)O 62a_100000042424_100009813601 [0,0,0,0,0,1|2,0,0]=3 1092 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,0,0,0,0,1|2,0,1]=4 1093 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,0,0,0,0,1|2,0,1]=4 1094 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [0,0,0,0,0,1|3,0,0]=4 1095 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [0,0,0,0,0,1|3,0,0]=4 1096 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [0,0,0,0,0,1|3,0,0]=4 1097 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [0,0,0,0,0,1|3,0,0]=4 1098 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [0,0,0,0,0,1|3,0,0]=4 1099 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [0,0,0,0,0,1|3,0,0]=4 1100 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [0,0,0,0,0,1|3,0,0]=4 1101 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [0,0,0,0,0,1|3,0,0]=4 1102 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [0,0,0,0,0,1|3,0,0]=4 1103 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [0,0,0,0,0,1|3,0,0]=4 1104 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [0,0,0,0,0,1|3,0,0]=4 1105 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [0,0,0,0,0,1|3,0,0]=4 1106 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [0,0,0,0,0,1|3,0,0]=4 1107 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [0,0,0,0,0,1|3,0,0]=4 1108 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,0,0,0,0,1|1,0,0]=2 1109 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,0,0,0,0,1|1,0,0]=2 1110 B13R1.511 CC(=O)COc1ccc(c(c1)C)C 1458a_100000182425_200000210301 [0,0,0,0,0,1|3,0,0]=4 1111 B13R1.511 CC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_200000210301 [0,0,0,0,0,1|3,0,0]=4 1112 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200000210301 [0,0,0,0,0,1|3,0,0]=4 1113 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200000210301 [0,0,0,0,0,1|3,0,0]=4 1114 B13R1.511 CC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200000210301 [0,0,0,0,0,1|3,0,0]=4 1115 B13R1.511 CC(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200000210301 [0,0,0,0,0,1|3,0,0]=4 1116 B13R1.511 CC(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200000210301 [0,0,0,0,0,1|3,0,0]=4 1117 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 11a_100012351559_100015343762 [0,0,0,0,0,1|3,0,0]=4 1118 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 1626a_100012351559_100015343762 [0,0,0,0,0,1|3,0,0]=4 1119 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 240690a_100012351559_100015343762 [0,0,0,0,0,1|3,0,0]=4 1120 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Br 527a_100012351559_100103153847 [0,0,0,0,0,1|3,0,0]=4 1121 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 11a_100012349490_100015343762 [0,0,0,0,0,1|3,0,0]=4 1122 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 1626a_100012349490_100015343762 [0,0,0,0,0,1|3,0,0]=4 1123 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 240690a_100012349490_100015343762 [0,0,0,0,0,1|3,0,0]=4 1124 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)Cl 527a_100012349490_100103153847 [0,0,0,0,0,1|3,0,0]=4 1125 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 11a_100015193890_100015343762 [0,0,0,0,0,1|3,0,0]=4 1126 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 1626a_100015193890_100015343762 [0,0,0,0,0,1|3,0,0]=4 1127 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 240690a_100015193890_100015343762 [0,0,0,0,0,1|3,0,0]=4 1128 B13R1.511 CC(=O)NCc1ccc(c(c1)Br)F 527a_100015193890_100103153847 [0,0,0,0,0,1|3,0,0]=4 1129 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 11a_100015205234_100015343762 [0,0,0,0,0,1|3,0,0]=4 1130 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 1626a_100015205234_100015343762 [0,0,0,0,0,1|3,0,0]=4 1131 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 240690a_100015205234_100015343762 [0,0,0,0,0,1|3,0,0]=4 1132 B13R1.511 CC(=O)NCc1ccc(c(c1)C)Br 527a_100015205234_100103153847 [0,0,0,0,0,1|3,0,0]=4 1133 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 11a_100025706692_100015343762 [0,0,0,0,0,1|3,0,0]=4 1134 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 1626a_100025706692_100015343762 [0,0,0,0,0,1|3,0,0]=4 1135 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 240690a_100025706692_100015343762 [0,0,0,0,0,1|3,0,0]=4 1136 B13R1.511 CC(=O)NCc1ccc(c(c1)C)C 527a_100025706692_100103153847 [0,0,0,0,0,1|3,0,0]=4 1137 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 11a_100000239911_100015343762 [0,0,0,0,0,1|3,0,0]=4 1138 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 1626a_100000239911_100015343762 [0,0,0,0,0,1|3,0,0]=4 1139 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 240690a_100000239911_100015343762 [0,0,0,0,0,1|3,0,0]=4 1140 B13R1.511 CC(=O)NCc1ccc(c(c1)C)F 527a_100000239911_100103153847 [0,0,0,0,0,1|3,0,0]=4 1141 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 11a_100012362553_100015343762 [0,0,0,0,0,1|3,0,0]=4 1142 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 1626a_100012362553_100015343762 [0,0,0,0,0,1|3,0,0]=4 1143 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 240690a_100012362553_100015343762 [0,0,0,0,0,1|3,0,0]=4 1144 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Br 527a_100012362553_100103153847 [0,0,0,0,0,1|3,0,0]=4 1145 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 11a_102495364989_100015343762 [0,0,0,0,0,1|3,0,0]=4 1146 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 1626a_102495364989_100015343762 [0,0,0,0,0,1|3,0,0]=4 1147 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 240690a_102495364989_100015343762 [0,0,0,0,0,1|3,0,0]=4 1148 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)C 527a_102495364989_100103153847 [0,0,0,0,0,1|3,0,0]=4 1149 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 11a_100000174881_100015343762 [0,0,0,0,0,1|3,0,0]=4 1150 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 1626a_100000174881_100015343762 [0,0,0,0,0,1|3,0,0]=4 1151 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 240690a_100000174881_100015343762 [0,0,0,0,0,1|3,0,0]=4 1152 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)Cl 527a_100000174881_100103153847 [0,0,0,0,0,1|3,0,0]=4 1153 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 11a_100000749334_100015343762 [0,0,0,0,0,1|3,0,0]=4 1154 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 1626a_100000749334_100015343762 [0,0,0,0,0,1|3,0,0]=4 1155 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 240690a_100000749334_100015343762 [0,0,0,0,0,1|3,0,0]=4 1156 B13R1.511 CC(=O)NCc1ccc(c(c1)Cl)F 527a_100000749334_100103153847 [0,0,0,0,0,1|3,0,0]=4 1157 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 11a_100000755036_100015343762 [0,0,0,0,0,1|3,0,0]=4 1158 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 1626a_100000755036_100015343762 [0,0,0,0,0,1|3,0,0]=4 1159 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 240690a_100000755036_100015343762 [0,0,0,0,0,1|3,0,0]=4 1160 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Br 527a_100000755036_100103153847 [0,0,0,0,0,1|3,0,0]=4 1161 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 11a_100102708794_100015343762 [0,0,0,0,0,1|3,0,0]=4 1162 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 1626a_100102708794_100015343762 [0,0,0,0,0,1|3,0,0]=4 1163 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 240690a_100102708794_100015343762 [0,0,0,0,0,1|3,0,0]=4 1164 B13R1.511 CC(=O)NCc1ccc(c(c1)F)C 527a_100102708794_100103153847 [0,0,0,0,0,1|3,0,0]=4 1165 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 11a_100011219866_100015343762 [0,0,0,0,0,1|3,0,0]=4 1166 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 1626a_100011219866_100015343762 [0,0,0,0,0,1|3,0,0]=4 1167 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 240690a_100011219866_100015343762 [0,0,0,0,0,1|3,0,0]=4 1168 B13R1.511 CC(=O)NCc1ccc(c(c1)F)Cl 527a_100011219866_100103153847 [0,0,0,0,0,1|3,0,0]=4 1169 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 11a_100000737897_100015343762 [0,0,0,0,0,1|3,0,0]=4 1170 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 1626a_100000737897_100015343762 [0,0,0,0,0,1|3,0,0]=4 1171 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 240690a_100000737897_100015343762 [0,0,0,0,0,1|3,0,0]=4 1172 B13R1.511 CC(=O)NCc1ccc(c(c1)F)F 527a_100000737897_100103153847 [0,0,0,0,0,1|3,0,0]=4 1173 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100015343762 [0,0,0,0,0,1|2,0,0]=3 1174 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100103153847 [0,0,0,0,0,1|2,0,0]=3 1175 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100015343762 [0,0,0,0,0,1|2,0,0]=3 1176 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 527a_100020636435_100103153847 [0,0,0,0,0,1|2,0,0]=3 1177 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_100015343762 [0,0,0,0,0,1|2,0,0]=3 1178 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 527a_100160469508_100103153847 [0,0,0,0,0,1|2,0,0]=3 1179 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [0,0,0,0,0,1|1,0,0]=2 1180 B13R1.511 CC(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000210624 [0,0,0,0,0,1|2,0,1]=4 1181 B13R1.511 CC(C)CSc1ccc(c(c1)O)O 62a_100000210624_100009813601 [0,0,0,0,0,1|2,0,1]=4 1182 B13R1.511 CC(C)NCc1ccc(c(c1)O)O 34a_100000010075_100000210206 [0,0,0,0,0,1|2,0,1]=4 1183 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [0,0,0,0,0,1|1,0,2]=4 1184 B13R1.511 CC(O)CNc1ccc(c(c1)Br)O 34a_100011534360_100011218427 [0,0,0,0,0,1|2,0,1]=4 1185 B13R1.511 CC(O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100011218427 [0,0,0,0,0,1|2,0,1]=4 1186 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 34a_100011220035_100011218427 [0,0,0,0,0,1|2,0,1]=4 1187 B13R1.511 CC(O)CNc1ccc(c(c1)F)O 7a_100011220035_100011218427 [0,0,0,0,0,1|2,0,1]=4 1188 B13R1.511 CC(O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100011218427 [0,0,0,0,0,1|2,0,1]=4 1189 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 34a_100012017398_100011218427 [0,0,0,0,0,1|2,0,1]=4 1190 B13R1.511 CC(O)CNc1ccc(c(c1)O)F 7a_100012017398_100011218427 [0,0,0,0,0,1|2,0,1]=4 1191 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [0,0,0,0,0,1|1,0,1]=3 1192 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100011218427_100012361655 [0,0,0,0,0,1|2,0,1]=4 1193 B13R1.511 CC(O)CSc1ccc(c(c1)Br)O 62a_100012361655_100011218427 [0,0,0,0,0,1|2,0,1]=4 1194 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100011218427_100012360047 [0,0,0,0,0,1|2,0,1]=4 1195 B13R1.511 CC(O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100011218427 [0,0,0,0,0,1|2,0,1]=4 1196 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100000185481_100011218427 [0,0,0,0,0,1|2,0,1]=4 1197 B13R1.511 CC(O)CSc1ccc(c(c1)F)O 62a_100011218427_100000185481 [0,0,0,0,0,1|2,0,1]=4 1198 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100000752626_100011218427 [0,0,0,0,0,1|2,0,1]=4 1199 B13R1.511 CC(O)CSc1ccc(c(c1)N)O 62a_100011218427_100000752626 [0,0,0,0,0,1|2,0,1]=4 1200 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100011218427_100012356990 [0,0,0,0,0,1|2,0,1]=4 1201 B13R1.511 CC(O)CSc1ccc(c(c1)O)Br 62a_100012356990_100011218427 [0,0,0,0,0,1|2,0,1]=4 1202 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011218427_100011356854 [0,0,0,0,0,1|2,0,1]=4 1203 B13R1.511 CC(O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100011218427 [0,0,0,0,0,1|2,0,1]=4 1204 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100000686035_100011218427 [0,0,0,0,0,1|2,0,1]=4 1205 B13R1.511 CC(O)CSc1ccc(c(c1)O)F 62a_100011218427_100000686035 [0,0,0,0,0,1|2,0,1]=4 1206 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100000739049_100011218427 [0,0,0,0,0,1|2,0,1]=4 1207 B13R1.511 CC(O)CSc1ccc(c(c1)O)N 62a_100011218427_100000739049 [0,0,0,0,0,1|2,0,1]=4 1208 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [0,0,0,0,0,1|1,0,1]=3 1209 B13R1.511 CN(C)CCc1ccc(c(c1)O)O 269982a_100102631434_200010393615 [0,0,0,0,0,1|3,0,0]=4 1210 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Br)O 34a_100011534360_100009817552 [0,0,0,0,0,1|2,0,1]=4 1211 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100009817552 [0,0,0,0,0,1|2,0,1]=4 1212 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 34a_100011220035_100009817552 [0,0,0,0,0,1|2,0,1]=4 1213 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)F)O 7a_100011220035_100009817552 [0,0,0,0,0,1|2,0,1]=4 1214 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100009817552 [0,0,0,0,0,1|2,0,1]=4 1215 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 34a_100012017398_100009817552 [0,0,0,0,0,1|2,0,1]=4 1216 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)F 7a_100012017398_100009817552 [0,0,0,0,0,1|2,0,1]=4 1217 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [0,0,0,0,0,1|1,0,1]=3 1218 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100009817552_100012361655 [0,0,0,0,0,1|2,0,1]=4 1219 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Br)O 62a_100012361655_100009817552 [0,0,0,0,0,1|2,0,1]=4 1220 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100009817552_100012360047 [0,0,0,0,0,1|2,0,1]=4 1221 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100009817552 [0,0,0,0,0,1|2,0,1]=4 1222 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100000185481_100009817552 [0,0,0,0,0,1|2,0,1]=4 1223 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)F)O 62a_100009817552_100000185481 [0,0,0,0,0,1|2,0,1]=4 1224 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100000752626_100009817552 [0,0,0,0,0,1|2,0,1]=4 1225 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)N)O 62a_100009817552_100000752626 [0,0,0,0,0,1|2,0,1]=4 1226 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100009817552_100012356990 [0,0,0,0,0,1|2,0,1]=4 1227 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Br 62a_100012356990_100009817552 [0,0,0,0,0,1|2,0,1]=4 1228 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100009817552_100011356854 [0,0,0,0,0,1|2,0,1]=4 1229 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100009817552 [0,0,0,0,0,1|2,0,1]=4 1230 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100000686035_100009817552 [0,0,0,0,0,1|2,0,1]=4 1231 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)F 62a_100009817552_100000686035 [0,0,0,0,0,1|2,0,1]=4 1232 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100000739049_100009817552 [0,0,0,0,0,1|2,0,1]=4 1233 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)N 62a_100009817552_100000739049 [0,0,0,0,0,1|2,0,1]=4 1234 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [0,0,0,0,0,1|1,0,1]=3 1235 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 2230a_100000210723_100000747473 [0,0,0,0,0,1|3,0,0]=4 1236 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 34a_100000210723_100000187820 [0,0,0,0,0,1|3,0,0]=4 1237 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 7a_100000210723_100000187820 [0,0,0,0,0,1|3,0,0]=4 1238 B13R1.511 Cc1cc(ccc1Br)NCC(=O)[O-] 34a_100000210723_100020667443 [0,0,0,0,0,1|2,0,1]=4 1239 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 34a_100000690111_100000187820 [0,0,0,0,0,1|3,0,0]=4 1240 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 7a_100000690111_100000187820 [0,0,0,0,0,1|3,0,0]=4 1241 B13R1.511 Cc1cc(ccc1Br)OCC(=O)[O-] 34a_100000690111_100020667443 [0,0,0,0,0,1|2,0,1]=4 1242 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100009813585 [0,0,0,0,0,1|3,0,0]=4 1243 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100009813585_100000747473 [0,0,0,0,0,1|3,0,0]=4 1244 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100009813585_100020667443 [0,0,0,0,0,1|2,0,1]=4 1245 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100009813585 [0,0,0,0,0,1|2,0,1]=4 1246 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 2230a_100000187808_100000747473 [0,0,0,0,0,1|3,0,0]=4 1247 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 34a_100000187808_100000187820 [0,0,0,0,0,1|3,0,0]=4 1248 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 7a_100000187808_100000187820 [0,0,0,0,0,1|3,0,0]=4 1249 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000187808_100020667443 [0,0,0,0,0,1|2,0,1]=4 1250 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 34a_100000211092_100000187820 [0,0,0,0,0,1|3,0,0]=4 1251 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 7a_100000211092_100000187820 [0,0,0,0,0,1|3,0,0]=4 1252 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[13CH3] 1458a_100000182483_200025704644 [0,0,0,0,0,1|3,0,0]=4 1253 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[O-] 34a_100000211092_100020667443 [0,0,0,0,0,1|2,0,1]=4 1254 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000049509_100000747473 [0,0,0,0,0,1|3,0,0]=4 1255 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100000049509 [0,0,0,0,0,1|3,0,0]=4 1256 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100000049509_100020667443 [0,0,0,0,0,1|2,0,1]=4 1257 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100000049509 [0,0,0,0,0,1|2,0,1]=4 1258 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [0,0,0,0,0,1|3,0,0]=4 1259 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 2230a_100000750164_100000747473 [0,0,0,0,0,1|3,0,0]=4 1260 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 34a_100000750164_100000187820 [0,0,0,0,0,1|3,0,0]=4 1261 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 7a_100000750164_100000187820 [0,0,0,0,0,1|3,0,0]=4 1262 B13R1.511 Cc1cc(ccc1F)NCC(=O)[O-] 34a_100000750164_100020667443 [0,0,0,0,0,1|2,0,1]=4 1263 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 34a_100000751312_100000187820 [0,0,0,0,0,1|3,0,0]=4 1264 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 7a_100000751312_100000187820 [0,0,0,0,0,1|3,0,0]=4 1265 B13R1.511 Cc1cc(ccc1F)OCC(=O)[O-] 34a_100000751312_100020667443 [0,0,0,0,0,1|2,0,1]=4 1266 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011218330 [0,0,0,0,0,1|3,0,0]=4 1267 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100011218330_100000747473 [0,0,0,0,0,1|3,0,0]=4 1268 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100011218330_100020667443 [0,0,0,0,0,1|2,0,1]=4 1269 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011218330 [0,0,0,0,0,1|2,0,1]=4 1270 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 34a_100000198070_100000187820 [0,0,0,0,0,1|3,0,0]=4 1271 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 7a_100000198070_100000187820 [0,0,0,0,0,1|3,0,0]=4 1272 B13R1.511 Cc1cc(ccc1I)NCC(=O)[O-] 34a_100000198070_100020667443 [0,0,0,0,0,1|2,0,1]=4 1273 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 34a_100000729255_100000187820 [0,0,0,0,0,1|3,0,0]=4 1274 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 7a_100000729255_100000187820 [0,0,0,0,0,1|3,0,0]=4 1275 B13R1.511 Cc1cc(ccc1I)OCC(=O)[O-] 34a_100000729255_100020667443 [0,0,0,0,0,1|2,0,1]=4 1276 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 34a_100000756630_100000187820 [0,0,0,0,0,1|3,0,0]=4 1277 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 7a_100000756630_100000187820 [0,0,0,0,0,1|3,0,0]=4 1278 B13R1.511 Cc1cc(ccc1N)OCC(=O)[O-] 34a_100000756630_100020667443 [0,0,0,0,0,1|2,0,1]=4 1279 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000211769_100000747473 [0,0,0,0,0,1|3,0,0]=4 1280 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000747473_100000211769 [0,0,0,0,0,1|3,0,0]=4 1281 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100000211769_100020667443 [0,0,0,0,0,1|2,0,1]=4 1282 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100000211769 [0,0,0,0,0,1|2,0,1]=4 1283 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [0,0,0,0,0,1|2,0,0]=3 1284 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [0,0,0,0,0,1|2,0,0]=3 1285 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,0,0,0,0,1|1,0,1]=3 1286 B13R1.511 Cc1cc(ccc1O)NCC(C)O 34a_100011218179_100011218427 [0,0,0,0,0,1|2,0,1]=4 1287 B13R1.511 Cc1cc(ccc1O)NCC(C)O 7a_100011218179_100011218427 [0,0,0,0,0,1|2,0,1]=4 1288 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 34a_100011218179_100009817552 [0,0,0,0,0,1|2,0,1]=4 1289 B13R1.511 Cc1cc(ccc1O)NC[C@@H](C)O 7a_100011218179_100009817552 [0,0,0,0,0,1|2,0,1]=4 1290 B13R1.511 Cc1cc(ccc1O)NC[N+](=O)[O-] 34a_100011218179_100000761209 [0,0,0,0,0,1|2,0,1]=4 1291 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [0,0,0,0,0,1|2,0,0]=3 1292 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,0,0,0,0,1|1,0,1]=3 1293 B13R1.511 Cc1cc(ccc1O)SCC(C)O 62a_100011218427_100000186361 [0,0,0,0,0,1|2,0,1]=4 1294 B13R1.511 Cc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000186361 [0,0,0,0,0,1|2,0,1]=4 1295 B13R1.511 Cc1cc(cnc1O)SCC(=O)N 62a_100000685391_100000747473 [0,0,0,0,0,1|3,0,0]=4 1296 B13R1.511 Cc1cc(cnc1O)SCC(=O)N 62a_100000747473_100000685391 [0,0,0,0,0,1|3,0,0]=4 1297 B13R1.511 Cc1cc(cnc1O)SCC(=O)[O-] 62a_100000685391_100020667443 [0,0,0,0,0,1|2,0,1]=4 1298 B13R1.511 Cc1cc(cnc1O)SCC(=O)[O-] 62a_100020667443_100000685391 [0,0,0,0,0,1|2,0,1]=4 1299 B13R1.511 Cc1cc(ncc1O)SCC(=O)N 62a_100000747473_100000692680 [0,0,0,0,0,1|3,0,0]=4 1300 B13R1.511 Cc1cc(ncc1O)SCC(=O)[O-] 62a_100020667443_100000692680 [0,0,0,0,0,1|2,0,1]=4 1301 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [0,0,0,0,0,1|3,0,0]=4 1302 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 2230a_100000736455_100000747473 [0,0,0,0,0,1|3,0,0]=4 1303 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 34a_100000736455_100000187820 [0,0,0,0,0,1|3,0,0]=4 1304 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 7a_100000736455_100000187820 [0,0,0,0,0,1|3,0,0]=4 1305 B13R1.511 Cc1ccc(cc1Br)NCC(=O)[O-] 34a_100000736455_100020667443 [0,0,0,0,0,1|2,0,1]=4 1306 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 34a_100011380479_100000187820 [0,0,0,0,0,1|3,0,0]=4 1307 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 7a_100011380479_100000187820 [0,0,0,0,0,1|3,0,0]=4 1308 B13R1.511 Cc1ccc(cc1Br)OCC(=O)[O-] 34a_100011380479_100020667443 [0,0,0,0,0,1|2,0,1]=4 1309 B13R1.511 Cc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011847877 [0,0,0,0,0,1|3,0,0]=4 1310 B13R1.511 Cc1ccc(cc1Br)SCC(=O)N 62a_100011847877_100000747473 [0,0,0,0,0,1|3,0,0]=4 1311 B13R1.511 Cc1ccc(cc1Br)SCC(=O)[O-] 62a_100011847877_100020667443 [0,0,0,0,0,1|2,0,1]=4 1312 B13R1.511 Cc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011847877 [0,0,0,0,0,1|2,0,1]=4 1313 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [0,0,0,0,0,1|3,0,0]=4 1314 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 2230a_100000724040_100000747473 [0,0,0,0,0,1|3,0,0]=4 1315 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 34a_100000724040_100000187820 [0,0,0,0,0,1|3,0,0]=4 1316 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 7a_100000724040_100000187820 [0,0,0,0,0,1|3,0,0]=4 1317 B13R1.511 Cc1ccc(cc1C)NCC(=O)[O-] 34a_100000724040_100020667443 [0,0,0,0,0,1|2,0,1]=4 1318 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 34a_100000210932_100000187820 [0,0,0,0,0,1|3,0,0]=4 1319 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 7a_100000210932_100000187820 [0,0,0,0,0,1|3,0,0]=4 1320 B13R1.511 Cc1ccc(cc1C)OCC(=O)[13CH3] 1458a_100000182425_200025704644 [0,0,0,0,0,1|3,0,0]=4 1321 B13R1.511 Cc1ccc(cc1C)OCC(=O)[O-] 34a_100000210932_100020667443 [0,0,0,0,0,1|2,0,1]=4 1322 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011215607 [0,0,0,0,0,1|3,0,0]=4 1323 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100011215607_100000747473 [0,0,0,0,0,1|3,0,0]=4 1324 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100011215607_100020667443 [0,0,0,0,0,1|2,0,1]=4 1325 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011215607 [0,0,0,0,0,1|2,0,1]=4 1326 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 2230a_100000188892_100000747473 [0,0,0,0,0,1|3,0,0]=4 1327 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 34a_100000188892_100000187820 [0,0,0,0,0,1|3,0,0]=4 1328 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 7a_100000188892_100000187820 [0,0,0,0,0,1|3,0,0]=4 1329 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000188892_100020667443 [0,0,0,0,0,1|2,0,1]=4 1330 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 34a_100011265682_100000187820 [0,0,0,0,0,1|3,0,0]=4 1331 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 7a_100011265682_100000187820 [0,0,0,0,0,1|3,0,0]=4 1332 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011265682_100020667443 [0,0,0,0,0,1|2,0,1]=4 1333 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100011216363 [0,0,0,0,0,1|3,0,0]=4 1334 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)N 62a_100011216363_100000747473 [0,0,0,0,0,1|3,0,0]=4 1335 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)[O-] 62a_100011216363_100020667443 [0,0,0,0,0,1|2,0,1]=4 1336 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100011216363 [0,0,0,0,0,1|2,0,1]=4 1337 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [0,0,0,0,0,1|3,0,0]=4 1338 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 2230a_100000210958_100000747473 [0,0,0,0,0,1|3,0,0]=4 1339 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 34a_100000210958_100000187820 [0,0,0,0,0,1|3,0,0]=4 1340 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 7a_100000210958_100000187820 [0,0,0,0,0,1|3,0,0]=4 1341 B13R1.511 Cc1ccc(cc1F)NCC(=O)[O-] 34a_100000210958_100020667443 [0,0,0,0,0,1|2,0,1]=4 1342 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 34a_100000722560_100000187820 [0,0,0,0,0,1|3,0,0]=4 1343 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 7a_100000722560_100000187820 [0,0,0,0,0,1|3,0,0]=4 1344 B13R1.511 Cc1ccc(cc1F)OCC(=O)[O-] 34a_100000722560_100020667443 [0,0,0,0,0,1|2,0,1]=4 1345 B13R1.511 Cc1ccc(cc1F)SCC(=O)N 62a_100000720648_100000747473 [0,0,0,0,0,1|3,0,0]=4 1346 B13R1.511 Cc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000720648 [0,0,0,0,0,1|3,0,0]=4 1347 B13R1.511 Cc1ccc(cc1F)SCC(=O)[O-] 62a_100000720648_100020667443 [0,0,0,0,0,1|2,0,1]=4 1348 B13R1.511 Cc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000720648 [0,0,0,0,0,1|2,0,1]=4 1349 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 34a_100000184131_100000187820 [0,0,0,0,0,1|3,0,0]=4 1350 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 7a_100000184131_100000187820 [0,0,0,0,0,1|3,0,0]=4 1351 B13R1.511 Cc1ccc(cc1I)NCC(=O)[O-] 34a_100000184131_100020667443 [0,0,0,0,0,1|2,0,1]=4 1352 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 34a_100011216113_100000187820 [0,0,0,0,0,1|3,0,0]=4 1353 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 7a_100011216113_100000187820 [0,0,0,0,0,1|3,0,0]=4 1354 B13R1.511 Cc1ccc(cc1N)OCC(=O)[O-] 34a_100011216113_100020667443 [0,0,0,0,0,1|2,0,1]=4 1355 B13R1.511 Cc1ccc(cc1N)SCC(=O)N 62a_100000747473_100000761890 [0,0,0,0,0,1|3,0,0]=4 1356 B13R1.511 Cc1ccc(cc1N)SCC(=O)N 62a_100000761890_100000747473 [0,0,0,0,0,1|3,0,0]=4 1357 B13R1.511 Cc1ccc(cc1N)SCC(=O)[O-] 62a_100000761890_100020667443 [0,0,0,0,0,1|2,0,1]=4 1358 B13R1.511 Cc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100000761890 [0,0,0,0,0,1|2,0,1]=4 1359 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [0,0,0,0,0,1|2,0,0]=3 1360 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [0,0,0,0,0,1|2,0,0]=3 1361 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [0,0,0,0,0,1|1,0,1]=3 1362 B13R1.511 Cc1ccc(cc1O)NCC(C)O 34a_100000759471_100011218427 [0,0,0,0,0,1|2,0,1]=4 1363 B13R1.511 Cc1ccc(cc1O)NCC(C)O 7a_100000759471_100011218427 [0,0,0,0,0,1|2,0,1]=4 1364 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 34a_100000759471_100009817552 [0,0,0,0,0,1|2,0,1]=4 1365 B13R1.511 Cc1ccc(cc1O)NC[C@@H](C)O 7a_100000759471_100009817552 [0,0,0,0,0,1|2,0,1]=4 1366 B13R1.511 Cc1ccc(cc1O)NC[N+](=O)[O-] 34a_100000759471_100000761209 [0,0,0,0,0,1|2,0,1]=4 1367 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [0,0,0,0,0,1|2,0,0]=3 1368 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [0,0,0,0,0,1|2,0,0]=3 1369 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [0,0,0,0,0,1|1,0,1]=3 1370 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [0,0,0,0,0,1|1,0,1]=3 1371 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100000685420_100011218427 [0,0,0,0,0,1|2,0,1]=4 1372 B13R1.511 Cc1ccc(cc1O)SCC(C)O 62a_100011218427_100000685420 [0,0,0,0,0,1|2,0,1]=4 1373 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100000685420_100009817552 [0,0,0,0,0,1|2,0,1]=4 1374 B13R1.511 Cc1ccc(cc1O)SC[C@@H](C)O 62a_100009817552_100000685420 [0,0,0,0,0,1|2,0,1]=4 1375 B13R1.511 Cc1ccc(cc1O)SC[N+](=O)[O-] 62a_100000685420_100000761209 [0,0,0,0,0,1|2,0,1]=4 1376 B13R1.511 Cc1cnc(cc1O)SCC(=O)N 62a_100000704368_100000747473 [0,0,0,0,0,1|3,0,0]=4 1377 B13R1.511 Cc1cnc(cc1O)SCC(=O)N 62a_100000747473_100000704368 [0,0,0,0,0,1|3,0,0]=4 1378 B13R1.511 Cc1cnc(cc1O)SCC(=O)[O-] 62a_100000704368_100020667443 [0,0,0,0,0,1|2,0,1]=4 1379 B13R1.511 Cc1cnc(cc1O)SCC(=O)[O-] 62a_100020667443_100000704368 [0,0,0,0,0,1|2,0,1]=4 1380 B13R1.511 Cc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010233687 [0,0,0,0,0,1|3,0,0]=4 1381 B13R1.511 Cc1nc(ccc1O)SCC(=O)N 62a_100010233687_100000747473 [0,0,0,0,0,1|3,0,0]=4 1382 B13R1.511 Cc1nc(ccc1O)SCC(=O)[O-] 62a_100010233687_100020667443 [0,0,0,0,0,1|2,0,1]=4 1383 B13R1.511 Cc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010233687 [0,0,0,0,0,1|2,0,1]=4 1384 B13R1.511 Cc1ncc(cc1O)SCC(=O)N 62a_100000747473_100009864810 [0,0,0,0,0,1|3,0,0]=4 1385 B13R1.511 Cc1ncc(cc1O)SCC(=O)N 62a_100009864810_100000747473 [0,0,0,0,0,1|3,0,0]=4 1386 B13R1.511 Cc1ncc(cc1O)SCC(=O)[O-] 62a_100009864810_100020667443 [0,0,0,0,0,1|2,0,1]=4 1387 B13R1.511 Cc1ncc(cc1O)SCC(=O)[O-] 62a_100020667443_100009864810 [0,0,0,0,0,1|2,0,1]=4 1388 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000747473 [0,0,0,0,0,1|3,0,0]=4 1389 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000187820 [0,0,0,0,0,1|3,0,0]=4 1390 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000187820 [0,0,0,0,0,1|3,0,0]=4 1391 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000747473 [0,0,0,0,0,1|3,0,0]=4 1392 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000187820 [0,0,0,0,0,1|3,0,0]=4 1393 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000747473 [0,0,0,0,0,1|3,0,0]=4 1394 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000187820 [0,0,0,0,0,1|3,0,0]=4 1395 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000187820 [0,0,0,0,0,1|3,0,0]=4 1396 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000187820 [0,0,0,0,0,1|3,0,0]=4 1397 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [0,0,0,0,0,1|2,0,0]=3 1398 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000747473 [0,0,0,0,0,1|3,0,0]=4 1399 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000187820 [0,0,0,0,0,1|3,0,0]=4 1400 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000187820 [0,0,0,0,0,1|3,0,0]=4 1401 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000747473 [0,0,0,0,0,1|3,0,0]=4 1402 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000187820 [0,0,0,0,0,1|3,0,0]=4 1403 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000747473 [0,0,0,0,0,1|3,0,0]=4 1404 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000187820 [0,0,0,0,0,1|3,0,0]=4 1405 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000187820 [0,0,0,0,0,1|3,0,0]=4 1406 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000187820 [0,0,0,0,0,1|3,0,0]=4 1407 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000187820 [0,0,0,0,0,1|2,0,0]=3 1408 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000747473 [0,0,0,0,0,1|3,0,0]=4 1409 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000187820 [0,0,0,0,0,1|3,0,0]=4 1410 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000187820 [0,0,0,0,0,1|3,0,0]=4 1411 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000747473 [0,0,0,0,0,1|3,0,0]=4 1412 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000187820 [0,0,0,0,0,1|3,0,0]=4 1413 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000187820 [0,0,0,0,0,1|3,0,0]=4 1414 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000747473 [0,0,0,0,0,1|3,0,0]=4 1415 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000187820 [0,0,0,0,0,1|3,0,0]=4 1416 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000187820 [0,0,0,0,0,1|3,0,0]=4 1417 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000187820 [0,0,0,0,0,1|3,0,0]=4 1418 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000187820 [0,0,0,0,0,1|3,0,0]=4 1419 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000187820 [0,0,0,0,0,1|2,0,0]=3 1420 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000187820 [0,0,0,0,0,1|2,0,0]=3 1421 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000187820 [0,0,0,0,0,1|3,0,0]=4 1422 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000187820 [0,0,0,0,0,1|3,0,0]=4 1423 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000187820 [0,0,0,0,0,1|3,0,0]=4 1424 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000187820 [0,0,0,0,0,1|3,0,0]=4 1425 B13R1.511 NC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000187820 [0,0,0,0,0,1|2,0,0]=3 1426 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000187820 [0,0,0,0,0,1|2,0,0]=3 1427 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000187820 [0,0,0,0,0,1|2,0,0]=3 1428 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [0,0,0,0,0,1|1,0,0]=2 1429 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000187820 [0,0,0,0,0,1|3,0,0]=4 1430 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000187820 [0,0,0,0,0,1|3,0,0]=4 1431 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000187820 [0,0,0,0,0,1|3,0,0]=4 1432 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000187820 [0,0,0,0,0,1|3,0,0]=4 1433 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000187820 [0,0,0,0,0,1|3,0,0]=4 1434 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000187820 [0,0,0,0,0,1|3,0,0]=4 1435 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000187820 [0,0,0,0,0,1|3,0,0]=4 1436 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000187820 [0,0,0,0,0,1|3,0,0]=4 1437 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000187820 [0,0,0,0,0,1|3,0,0]=4 1438 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000187820 [0,0,0,0,0,1|3,0,0]=4 1439 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000187820 [0,0,0,0,0,1|3,0,0]=4 1440 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000187820 [0,0,0,0,0,1|3,0,0]=4 1441 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000187820 [0,0,0,0,0,1|3,0,0]=4 1442 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000187820 [0,0,0,0,0,1|3,0,0]=4 1443 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000187820 [0,0,0,0,0,1|3,0,0]=4 1444 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000187820 [0,0,0,0,0,1|3,0,0]=4 1445 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000187820 [0,0,0,0,0,1|3,0,0]=4 1446 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000187820 [0,0,0,0,0,1|3,0,0]=4 1447 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000187820 [0,0,0,0,0,1|3,0,0]=4 1448 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000187820 [0,0,0,0,0,1|3,0,0]=4 1449 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000187820 [0,0,0,0,0,1|3,0,0]=4 1450 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000187820 [0,0,0,0,0,1|3,0,0]=4 1451 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000187820 [0,0,0,0,0,1|3,0,0]=4 1452 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000187820 [0,0,0,0,0,1|3,0,0]=4 1453 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000187820 [0,0,0,0,0,1|3,0,0]=4 1454 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000187820 [0,0,0,0,0,1|3,0,0]=4 1455 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000187820 [0,0,0,0,0,1|3,0,0]=4 1456 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000187820 [0,0,0,0,0,1|3,0,0]=4 1457 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000187820 [0,0,0,0,0,1|3,0,0]=4 1458 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000187820 [0,0,0,0,0,1|3,0,0]=4 1459 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000187820 [0,0,0,0,0,1|3,0,0]=4 1460 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000187820 [0,0,0,0,0,1|3,0,0]=4 1461 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000187820 [0,0,0,0,0,1|3,0,0]=4 1462 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000187820 [0,0,0,0,0,1|3,0,0]=4 1463 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000187820 [0,0,0,0,0,1|3,0,0]=4 1464 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000187820 [0,0,0,0,0,1|3,0,0]=4 1465 B13R1.511 NC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000187820 [0,0,0,0,0,1|3,0,0]=4 1466 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000187820 [0,0,0,0,0,1|3,0,0]=4 1467 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000187820 [0,0,0,0,0,1|3,0,0]=4 1468 B13R1.511 NC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000187820 [0,0,0,0,0,1|3,0,0]=4 1469 B13R1.511 NC(=O)CSc1c[nH]c(=O)c(c1)O 62a_100000747473_100009814561 [0,0,0,0,0,1|2,0,1]=4 1470 B13R1.511 NC(=O)CSc1cc(c(cn1)F)O 62a_100000747473_100009854642 [0,0,0,0,0,1|3,0,0]=4 1471 B13R1.511 NC(=O)CSc1cc(c(cn1)F)O 62a_100009854642_100000747473 [0,0,0,0,0,1|3,0,0]=4 1472 B13R1.511 NC(=O)CSc1cc(c(cn1)O)N 62a_100000747473_100009819941 [0,0,0,0,0,1|3,0,0]=4 1473 B13R1.511 NC(=O)CSc1cc(c(cn1)O)N 62a_100009819941_100000747473 [0,0,0,0,0,1|3,0,0]=4 1474 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Br 62a_100000747473_100012356285 [0,0,0,0,0,1|3,0,0]=4 1475 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000747473 [0,0,0,0,0,1|3,0,0]=4 1476 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000747473_100012353702 [0,0,0,0,0,1|3,0,0]=4 1477 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000747473 [0,0,0,0,0,1|3,0,0]=4 1478 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)F 62a_100000747473_100012047266 [0,0,0,0,0,1|3,0,0]=4 1479 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000747473 [0,0,0,0,0,1|3,0,0]=4 1480 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)N 62a_100000747473_100000750455 [0,0,0,0,0,1|3,0,0]=4 1481 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000747473 [0,0,0,0,0,1|3,0,0]=4 1482 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [0,0,0,0,0,1|2,0,0]=3 1483 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [0,0,0,0,0,1|2,0,0]=3 1484 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000747473_100012047281 [0,0,0,0,0,1|3,0,0]=4 1485 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000747473 [0,0,0,0,0,1|3,0,0]=4 1486 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000747473_100011214914 [0,0,0,0,0,1|3,0,0]=4 1487 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000747473 [0,0,0,0,0,1|3,0,0]=4 1488 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)F 62a_100000747473_100011215976 [0,0,0,0,0,1|3,0,0]=4 1489 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000747473 [0,0,0,0,0,1|3,0,0]=4 1490 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)N 62a_100000747473_100011218065 [0,0,0,0,0,1|3,0,0]=4 1491 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000747473 [0,0,0,0,0,1|3,0,0]=4 1492 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747473_100012360047 [0,0,0,0,0,1|2,0,0]=3 1493 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747473 [0,0,0,0,0,1|2,0,0]=3 1494 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000747473 [0,0,0,0,0,1|3,0,0]=4 1495 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Br 62a_100000747473_100000685389 [0,0,0,0,0,1|3,0,0]=4 1496 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Cl 62a_100000747473_100011216805 [0,0,0,0,0,1|3,0,0]=4 1497 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000747473 [0,0,0,0,0,1|3,0,0]=4 1498 B13R1.511 NC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000747473 [0,0,0,0,0,1|3,0,0]=4 1499 B13R1.511 NC(=O)CSc1ccc(c(c1)F)F 62a_100000747473_100000703953 [0,0,0,0,0,1|3,0,0]=4 1500 B13R1.511 NC(=O)CSc1ccc(c(c1)F)N 62a_100000747473_100011215594 [0,0,0,0,0,1|3,0,0]=4 1501 B13R1.511 NC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000747473 [0,0,0,0,0,1|3,0,0]=4 1502 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747473 [0,0,0,0,0,1|2,0,0]=3 1503 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000747473_100000185481 [0,0,0,0,0,1|2,0,0]=3 1504 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Br 62a_100000747473_100000750456 [0,0,0,0,0,1|3,0,0]=4 1505 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000747473 [0,0,0,0,0,1|3,0,0]=4 1506 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Cl 62a_100000747473_200000761891 [0,0,0,0,0,1|3,0,0]=4 1507 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000747473 [0,0,0,0,0,1|3,0,0]=4 1508 B13R1.511 NC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000747473 [0,0,0,0,0,1|3,0,0]=4 1509 B13R1.511 NC(=O)CSc1ccc(c(c1)N)F 62a_100000747473_100000740924 [0,0,0,0,0,1|3,0,0]=4 1510 B13R1.511 NC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000747473 [0,0,0,0,0,1|3,0,0]=4 1511 B13R1.511 NC(=O)CSc1ccc(c(c1)N)N 62a_100000747473_100011534411 [0,0,0,0,0,1|3,0,0]=4 1512 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000747473_100000752626 [0,0,0,0,0,1|2,0,0]=3 1513 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747473 [0,0,0,0,0,1|2,0,0]=3 1514 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100000747473_100012356990 [0,0,0,0,0,1|2,0,0]=3 1515 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747473 [0,0,0,0,0,1|2,0,0]=3 1516 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747473_100011356854 [0,0,0,0,0,1|2,0,0]=3 1517 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747473 [0,0,0,0,0,1|2,0,0]=3 1518 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747473 [0,0,0,0,0,1|2,0,0]=3 1519 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000747473_100000686035 [0,0,0,0,0,1|2,0,0]=3 1520 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747473 [0,0,0,0,0,1|2,0,0]=3 1521 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000747473_100000739049 [0,0,0,0,0,1|2,0,0]=3 1522 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [0,0,0,0,0,1|1,0,0]=2 1523 B13R1.511 NC(=O)CSc1ccc(c(n1)Br)O 62a_100000725334_100000747473 [0,0,0,0,0,1|3,0,0]=4 1524 B13R1.511 NC(=O)CSc1ccc(c(n1)Br)O 62a_100000747473_100000725334 [0,0,0,0,0,1|3,0,0]=4 1525 B13R1.511 NC(=O)CSc1ccc(c(n1)Cl)O 62a_100000747473_100000721234 [0,0,0,0,0,1|3,0,0]=4 1526 B13R1.511 NC(=O)CSc1ccc(c(n1)F)O 62a_100000747473_100009819667 [0,0,0,0,0,1|3,0,0]=4 1527 B13R1.511 NC(=O)CSc1ccc(c(n1)F)O 62a_100009819667_100000747473 [0,0,0,0,0,1|3,0,0]=4 1528 B13R1.511 NC(=O)CSc1ccc(c(n1)N)O 62a_100000685527_100000747473 [0,0,0,0,0,1|3,0,0]=4 1529 B13R1.511 NC(=O)CSc1ccc(c(n1)N)O 62a_100000747473_100000685527 [0,0,0,0,0,1|3,0,0]=4 1530 B13R1.511 NC(=O)CSc1ccc(c(n1)O)F 62a_100000747473_100010729010 [0,0,0,0,0,1|3,0,0]=4 1531 B13R1.511 NC(=O)CSc1ccc(c(n1)O)N 62a_100000718904_100000747473 [0,0,0,0,0,1|3,0,0]=4 1532 B13R1.511 NC(=O)CSc1cnc(c(c1)Cl)O 62a_100000747473_100010238531 [0,0,0,0,0,1|3,0,0]=4 1533 B13R1.511 NC(=O)CSc1cnc(c(c1)Cl)O 62a_100010238531_100000747473 [0,0,0,0,0,1|3,0,0]=4 1534 B13R1.511 NC(=O)CSc1cnc(c(c1)N)O 62a_100000743729_100000747473 [0,0,0,0,0,1|3,0,0]=4 1535 B13R1.511 NC(=O)CSc1cnc(c(c1)N)O 62a_100000747473_100000743729 [0,0,0,0,0,1|3,0,0]=4 1536 B13R1.511 NC(=O)CSc1cnc(c(c1)O)F 62a_100000747473_100009819871 [0,0,0,0,0,1|3,0,0]=4 1537 B13R1.511 NC(=O)CSc1cnc(c(c1)O)F 62a_100009819871_100000747473 [0,0,0,0,0,1|3,0,0]=4 1538 B13R1.511 NC(=O)CSc1cnc(c(c1)O)N 62a_100000747473_100009819042 [0,0,0,0,0,1|3,0,0]=4 1539 B13R1.511 NC(=O)CSc1cnc(c(c1)O)N 62a_100009819042_100000747473 [0,0,0,0,0,1|3,0,0]=4 1540 B13R1.511 Nc1cc(ccc1Br)OCC(=O)[O-] 34a_100011999798_100020667443 [0,0,0,0,0,1|2,0,1]=4 1541 B13R1.511 Nc1cc(ccc1Br)SCC(=O)[O-] 62a_100000750456_100020667443 [0,0,0,0,0,1|2,0,1]=4 1542 B13R1.511 Nc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100000750456 [0,0,0,0,0,1|2,0,1]=4 1543 B13R1.511 Nc1cc(ccc1Cl)OCC(=O)[O-] 34a_100011934297_100020667443 [0,0,0,0,0,1|2,0,1]=4 1544 B13R1.511 Nc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_200000761891 [0,0,0,0,0,1|2,0,1]=4 1545 B13R1.511 Nc1cc(ccc1Cl)SCC(=O)[O-] 62a_200000761891_100020667443 [0,0,0,0,0,1|2,0,1]=4 1546 B13R1.511 Nc1cc(ccc1F)OCC(=O)[O-] 34a_100012017239_100020667443 [0,0,0,0,0,1|2,0,1]=4 1547 B13R1.511 Nc1cc(ccc1F)SCC(=O)[O-] 62a_100000740924_100020667443 [0,0,0,0,0,1|2,0,1]=4 1548 B13R1.511 Nc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100000740924 [0,0,0,0,0,1|2,0,1]=4 1549 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [0,0,0,0,0,1|1,0,1]=3 1550 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [0,0,0,0,0,1|1,0,1]=3 1551 B13R1.511 Nc1cc(ccc1O)SC[N+](=O)[O-] 62a_100000752626_100000761209 [0,0,0,0,0,1|2,0,1]=4 1552 B13R1.511 Nc1cc(cnc1O)SCC(=O)[O-] 62a_100000743729_100020667443 [0,0,0,0,0,1|2,0,1]=4 1553 B13R1.511 Nc1cc(cnc1O)SCC(=O)[O-] 62a_100020667443_100000743729 [0,0,0,0,0,1|2,0,1]=4 1554 B13R1.511 Nc1cc(ncc1O)SCC(=O)[O-] 62a_100009819941_100020667443 [0,0,0,0,0,1|2,0,1]=4 1555 B13R1.511 Nc1cc(ncc1O)SCC(=O)[O-] 62a_100020667443_100009819941 [0,0,0,0,0,1|2,0,1]=4 1556 B13R1.511 Nc1ccc(cc1Br)OCC(=O)[O-] 34a_100012001276_100020667443 [0,0,0,0,0,1|2,0,1]=4 1557 B13R1.511 Nc1ccc(cc1Br)SCC(=O)[O-] 62a_100000750455_100020667443 [0,0,0,0,0,1|2,0,1]=4 1558 B13R1.511 Nc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100000750455 [0,0,0,0,0,1|2,0,1]=4 1559 B13R1.511 Nc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011215599_100020667443 [0,0,0,0,0,1|2,0,1]=4 1560 B13R1.511 Nc1ccc(cc1Cl)SCC(=O)[O-] 62a_100011218065_100020667443 [0,0,0,0,0,1|2,0,1]=4 1561 B13R1.511 Nc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100011218065 [0,0,0,0,0,1|2,0,1]=4 1562 B13R1.511 Nc1ccc(cc1F)OCC(=O)[O-] 34a_100000759473_100020667443 [0,0,0,0,0,1|2,0,1]=4 1563 B13R1.511 Nc1ccc(cc1F)SCC(=O)[O-] 62a_100011215594_100020667443 [0,0,0,0,0,1|2,0,1]=4 1564 B13R1.511 Nc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100011215594 [0,0,0,0,0,1|2,0,1]=4 1565 B13R1.511 Nc1ccc(cc1I)OCC(=O)[O-] 34a_100010084370_100020667443 [0,0,0,0,0,1|2,0,1]=4 1566 B13R1.511 Nc1ccc(cc1N)OCC(=O)[O-] 34a_100025771000_100020667443 [0,0,0,0,0,1|2,0,1]=4 1567 B13R1.511 Nc1ccc(cc1N)SCC(=O)[O-] 62a_100000741789_100020667443 [0,0,0,0,0,1|2,0,1]=4 1568 B13R1.511 Nc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011534411 [0,0,0,0,0,1|2,0,1]=4 1569 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100000739049_100020667443 [0,0,0,0,0,1|1,0,1]=3 1570 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000739049 [0,0,0,0,0,1|1,0,1]=3 1571 B13R1.511 Nc1ccc(cc1O)SC[N+](=O)[O-] 62a_100000739049_100000761209 [0,0,0,0,0,1|2,0,1]=4 1572 B13R1.511 Nc1ccc(nc1O)SCC(=O)[O-] 62a_100000718904_100020667443 [0,0,0,0,0,1|2,0,1]=4 1573 B13R1.511 Nc1nc(ccc1O)SCC(=O)[O-] 62a_100000685527_100020667443 [0,0,0,0,0,1|2,0,1]=4 1574 B13R1.511 Nc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000685527 [0,0,0,0,0,1|2,0,1]=4 1575 B13R1.511 Nc1ncc(cc1O)SCC(=O)[O-] 62a_100009819042_100020667443 [0,0,0,0,0,1|2,0,1]=4 1576 B13R1.511 Nc1ncc(cc1O)SCC(=O)[O-] 62a_100020667443_100009819042 [0,0,0,0,0,1|2,0,1]=4 1577 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)Br 34a_100011306057_100020667443 [0,0,0,0,0,1|2,0,1]=4 1578 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)Cl 34a_100000686031_100020667443 [0,0,0,0,0,1|2,0,1]=4 1579 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)F 34a_100000760356_100020667443 [0,0,0,0,0,1|2,0,1]=4 1580 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)I 34a_100000750458_100020667443 [0,0,0,0,0,1|2,0,1]=4 1581 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [0,0,0,0,0,1|1,0,1]=3 1582 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)Br 34a_100000687081_100020667443 [0,0,0,0,0,1|2,0,1]=4 1583 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100020667443 [0,0,0,0,0,1|2,0,1]=4 1584 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)F 34a_100000211060_100020667443 [0,0,0,0,0,1|2,0,1]=4 1585 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)I 34a_100000761885_100020667443 [0,0,0,0,0,1|2,0,1]=4 1586 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [0,0,0,0,0,1|1,0,1]=3 1587 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)Br 34a_100000759894_100020667443 [0,0,0,0,0,1|2,0,1]=4 1588 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)Cl 34a_100000739366_100020667443 [0,0,0,0,0,1|2,0,1]=4 1589 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)F 34a_100000210724_100020667443 [0,0,0,0,0,1|2,0,1]=4 1590 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)I 34a_100011356925_100020667443 [0,0,0,0,0,1|2,0,1]=4 1591 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [0,0,0,0,0,1|1,0,1]=3 1592 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Br 34a_100000750459_100020667443 [0,0,0,0,0,1|2,0,1]=4 1593 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Cl 34a_100012360549_100020667443 [0,0,0,0,0,1|2,0,1]=4 1594 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)F 34a_114828291077_100020667443 [0,0,0,0,0,1|2,0,1]=4 1595 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100020667443 [0,0,0,0,0,1|1,0,1]=3 1596 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100020667443 [0,0,0,0,0,1|1,0,1]=3 1597 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [0,0,0,0,0,1|0,0,1]=2 1598 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100020667443 [0,0,0,0,0,1|2,0,1]=4 1599 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)F 34a_100000693481_100020667443 [0,0,0,0,0,1|2,0,1]=4 1600 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100020667443 [0,0,0,0,0,1|2,0,1]=4 1601 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Br 34a_100011215161_100020667443 [0,0,0,0,0,1|2,0,1]=4 1602 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100020667443 [0,0,0,0,0,1|2,0,1]=4 1603 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)F 34a_100000211030_100020667443 [0,0,0,0,0,1|2,0,1]=4 1604 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100020667443 [0,0,0,0,0,1|2,0,1]=4 1605 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Br 34a_100000755031_100020667443 [0,0,0,0,0,1|2,0,1]=4 1606 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100020667443 [0,0,0,0,0,1|2,0,1]=4 1607 B13R1.511 O=C([O-])COc1ccc(c(c1)F)F 34a_100000181275_100020667443 [0,0,0,0,0,1|2,0,1]=4 1608 B13R1.511 O=C([O-])COc1ccc(c(c1)F)I 34a_100009990212_100020667443 [0,0,0,0,0,1|2,0,1]=4 1609 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100020667443 [0,0,0,0,0,1|2,0,1]=4 1610 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100020667443 [0,0,0,0,0,1|2,0,1]=4 1611 B13R1.511 O=C([O-])CSc1c[nH]c(=O)c(c1)O 62a_100020667443_100009814561 [0,0,0,0,0,1|1,0,2]=4 1612 B13R1.511 O=C([O-])CSc1cc(c(cn1)F)O 62a_100009854642_100020667443 [0,0,0,0,0,1|2,0,1]=4 1613 B13R1.511 O=C([O-])CSc1cc(c(cn1)F)O 62a_100020667443_100009854642 [0,0,0,0,0,1|2,0,1]=4 1614 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Br 62a_100012356285_100020667443 [0,0,0,0,0,1|2,0,1]=4 1615 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Br 62a_100020667443_100012356285 [0,0,0,0,0,1|2,0,1]=4 1616 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Cl 62a_100012353702_100020667443 [0,0,0,0,0,1|2,0,1]=4 1617 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Cl 62a_100020667443_100012353702 [0,0,0,0,0,1|2,0,1]=4 1618 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)F 62a_100012047266_100020667443 [0,0,0,0,0,1|2,0,1]=4 1619 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)F 62a_100020667443_100012047266 [0,0,0,0,0,1|2,0,1]=4 1620 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [0,0,0,0,0,1|1,0,1]=3 1621 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [0,0,0,0,0,1|1,0,1]=3 1622 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Br 62a_100012047281_100020667443 [0,0,0,0,0,1|2,0,1]=4 1623 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Br 62a_100020667443_100012047281 [0,0,0,0,0,1|2,0,1]=4 1624 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100020667443 [0,0,0,0,0,1|2,0,1]=4 1625 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Cl 62a_100020667443_100011214914 [0,0,0,0,0,1|2,0,1]=4 1626 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)F 62a_100011215976_100020667443 [0,0,0,0,0,1|2,0,1]=4 1627 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)F 62a_100020667443_100011215976 [0,0,0,0,0,1|2,0,1]=4 1628 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [0,0,0,0,0,1|1,0,1]=3 1629 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [0,0,0,0,0,1|1,0,1]=3 1630 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Br 62a_100000685389_100020667443 [0,0,0,0,0,1|2,0,1]=4 1631 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Br 62a_100020667443_100000685389 [0,0,0,0,0,1|2,0,1]=4 1632 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Cl 62a_100011216805_100020667443 [0,0,0,0,0,1|2,0,1]=4 1633 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Cl 62a_100020667443_100011216805 [0,0,0,0,0,1|2,0,1]=4 1634 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)F 62a_100000703953_100020667443 [0,0,0,0,0,1|2,0,1]=4 1635 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)F 62a_100020667443_100000703953 [0,0,0,0,0,1|2,0,1]=4 1636 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [0,0,0,0,0,1|1,0,1]=3 1637 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [0,0,0,0,0,1|1,0,1]=3 1638 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100020667443 [0,0,0,0,0,1|1,0,1]=3 1639 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100020667443_100012356990 [0,0,0,0,0,1|1,0,1]=3 1640 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100020667443 [0,0,0,0,0,1|1,0,1]=3 1641 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100020667443_100011356854 [0,0,0,0,0,1|1,0,1]=3 1642 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100020667443 [0,0,0,0,0,1|1,0,1]=3 1643 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100020667443_100000686035 [0,0,0,0,0,1|1,0,1]=3 1644 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [0,0,0,0,0,1|0,0,1]=2 1645 B13R1.511 O=C([O-])CSc1ccc(c(n1)Br)O 62a_100000725334_100020667443 [0,0,0,0,0,1|2,0,1]=4 1646 B13R1.511 O=C([O-])CSc1ccc(c(n1)Br)O 62a_100020667443_100000725334 [0,0,0,0,0,1|2,0,1]=4 1647 B13R1.511 O=C([O-])CSc1ccc(c(n1)Cl)O 62a_100020667443_100000721234 [0,0,0,0,0,1|2,0,1]=4 1648 B13R1.511 O=C([O-])CSc1ccc(c(n1)F)O 62a_100009819667_100020667443 [0,0,0,0,0,1|2,0,1]=4 1649 B13R1.511 O=C([O-])CSc1ccc(c(n1)F)O 62a_100020667443_100009819667 [0,0,0,0,0,1|2,0,1]=4 1650 B13R1.511 O=C([O-])CSc1ccc(c(n1)O)F 62a_100020667443_100010729010 [0,0,0,0,0,1|2,0,1]=4 1651 B13R1.511 O=C([O-])CSc1cnc(c(c1)Cl)O 62a_100010238531_100020667443 [0,0,0,0,0,1|2,0,1]=4 1652 B13R1.511 O=C([O-])CSc1cnc(c(c1)Cl)O 62a_100020667443_100010238531 [0,0,0,0,0,1|2,0,1]=4 1653 B13R1.511 O=C([O-])CSc1cnc(c(c1)O)F 62a_100009819871_100020667443 [0,0,0,0,0,1|2,0,1]=4 1654 B13R1.511 O=C([O-])CSc1cnc(c(c1)O)F 62a_100020667443_100009819871 [0,0,0,0,0,1|2,0,1]=4 1655 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100000761209 [0,0,0,0,0,1|2,0,1]=4 1656 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100000761209 [0,0,0,0,0,1|2,0,1]=4 1657 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100000761209 [0,0,0,0,0,1|2,0,1]=4 1658 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100000761209 [0,0,0,0,0,1|2,0,1]=4 1659 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100000761209 [0,0,0,0,0,1|2,0,1]=4 1660 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100000761209 [0,0,0,0,0,1|1,0,1]=3 1661 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100000761209 [0,0,0,0,0,1|2,0,1]=4 1662 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100000761209 [0,0,0,0,0,1|2,0,1]=4 1663 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100000761209 [0,0,0,0,0,1|2,0,1]=4 1664 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100000761209 [0,0,0,0,0,1|2,0,1]=4 1665 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100000761209 [0,0,0,0,0,1|2,0,1]=4 1666 B13R1.511 O=[N+]([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100000761209 [0,0,0,0,0,1|2,0,1]=4 1667 B13R1.511 Oc1ccc(cc1O)NCC(F)F 34a_100102946323_100011934356 [0,0,0,0,0,1|2,0,1]=4 1668 B13R1.511 Oc1ccc(cc1O)SCC(F)F 62a_100011934356_100009813601 [0,0,0,0,0,1|2,0,1]=4 1669 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,0,0,0,0,1|2,0,1]=4 1670 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,0,0,0,0,1|2,0,1]=4 1671 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [0,0,0,0,0,1|3,0,0]=4 1672 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [0,0,0,0,0,1|3,0,0]=4 1673 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [0,0,0,0,0,1|3,0,0]=4 1674 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [0,0,0,0,0,1|3,0,0]=4 1675 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [0,0,0,0,0,1|3,0,0]=4 1676 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [0,0,0,0,0,1|3,0,0]=4 1677 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [0,0,0,0,0,1|3,0,0]=4 1678 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,0,0,0,0,1|1,0,0]=2 1679 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200025704644 [0,0,0,0,0,1|3,0,0]=4 1680 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200025704644 [0,0,0,0,0,1|3,0,0]=4 1681 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200025704644 [0,0,0,0,0,1|3,0,0]=4 1682 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200025704644 [0,0,0,0,0,1|3,0,0]=4 1683 B13R1.511 [13CH3]C(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200025704644 [0,0,0,0,0,1|3,0,0]=4 1684 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|1,0,1]=4 1685 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|1,0,1]=4 1686 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [2,0,0,0,0,0|1,0,1]=4 1687 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [2,0,0,0,0,0|2,0,0]=4 1688 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [2,0,0,0,0,0|2,0,0]=4 1689 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [2,0,0,0,0,0|2,0,0]=4 1690 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [2,0,0,0,0,0|1,0,1]=4 1691 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [2,0,0,0,0,0|1,0,1]=4 1692 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [2,0,0,0,0,0|2,0,0]=4 1693 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|0,0,0]=2 1694 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [2,0,0,0,0,0|0,0,1]=3 1695 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [2,0,0,0,0,0|1,0,1]=4 1696 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [2,0,0,0,0,0|1,0,1]=4 1697 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|1,0,1]=4 1698 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [2,0,0,0,0,0|2,0,0]=4 1699 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1700 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,0]=3 1701 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [2,0,0,0,0,0|2,0,0]=4 1702 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [2,0,0,0,0,0|2,0,0]=4 1703 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [2,0,0,0,0,0|2,0,0]=4 1704 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [2,0,0,0,0,0|2,0,0]=4 1705 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [2,0,0,0,0,0|2,0,0]=4 1706 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 1707 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 1708 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [2,0,0,0,0,0|2,0,0]=4 1709 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [2,0,0,0,0,0|2,0,0]=4 1710 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1711 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [2,0,0,0,0,0|2,0,0]=4 1712 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [2,0,0,0,0,0|2,0,0]=4 1713 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [2,0,0,0,0,0|1,0,0]=3 1714 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [2,0,0,0,0,0|1,0,1]=4 1715 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [2,0,0,0,0,0|1,0,1]=4 1716 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [2,0,0,0,0,0|2,0,0]=4 1717 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1718 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [2,0,0,0,0,0|2,0,0]=4 1719 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [2,0,0,0,0,0|2,0,0]=4 1720 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [2,0,0,0,0,0|2,0,0]=4 1721 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1722 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [2,0,0,0,0,0|2,0,0]=4 1723 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [2,0,0,0,0,0|2,0,0]=4 1724 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [2,0,0,0,0,0|2,0,0]=4 1725 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [2,0,0,0,0,0|2,0,0]=4 1726 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [2,0,0,0,0,0|2,0,0]=4 1727 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [2,0,0,0,0,0|2,0,0]=4 1728 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [2,0,0,0,0,0|1,0,1]=4 1729 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [2,0,0,0,0,0|1,0,1]=4 1730 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [2,0,0,0,0,0|2,0,0]=4 1731 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [2,0,0,0,0,0|0,0,0]=2 1732 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [2,0,0,0,0,0|0,0,1]=3 1733 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [2,0,0,0,0,0|1,0,1]=4 1734 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1735 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1736 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [2,0,0,0,0,0|2,0,0]=4 1737 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [2,0,0,0,0,0|2,0,0]=4 1738 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [2,0,0,0,0,0|1,0,1]=4 1739 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [2,0,0,0,0,0|1,0,1]=4 1740 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [2,0,0,0,0,0|1,0,1]=4 1741 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [2,0,0,0,0,0|1,0,1]=4 1742 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [2,0,0,0,0,0|1,0,1]=4 1743 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [2,0,0,0,0,0|1,0,1]=4 1744 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [2,0,0,0,0,0|1,0,1]=4 1745 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [2,0,0,0,0,0|1,0,1]=4 1746 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [2,0,0,0,0,0|1,0,1]=4 1747 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [2,0,0,0,0,0|1,0,1]=4 1748 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [2,0,0,0,0,0|0,0,1]=3 1749 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [2,0,0,0,0,0|1,0,1]=4 1750 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [2,0,0,0,0,0|1,0,1]=4 1751 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [2,0,0,0,0,0|1,0,1]=4 1752 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [2,0,0,0,0,0|1,0,1]=4 1753 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [2,0,0,0,0,0|0,0,1]=3 1754 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [2,0,0,0,0,0|1,0,1]=4 1755 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [2,0,0,0,0,0|1,0,1]=4 1756 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [2,0,0,0,0,0|1,0,1]=4 1757 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [2,0,0,0,0,0|1,0,1]=4 1758 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [2,0,0,0,0,0|1,0,0]=3 1759 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [2,0,0,0,0,0|2,0,0]=4 1760 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [2,0,0,0,0,0|1,0,0]=3 1761 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [2,0,0,0,0,0|2,0,0]=4 1762 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [2,0,0,0,0,0|2,0,0]=4 1763 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [2,0,0,0,0,0|2,0,0]=4 1764 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [2,0,0,0,0,0|2,0,0]=4 1765 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [2,0,0,0,0,0|1,0,0]=3 1766 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [2,0,0,0,0,0|1,0,0]=3 1767 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [2,0,0,0,0,0|2,0,0]=4 1768 B10R1.176 Cc1cnc(cc1O)CO 271570a_203496583355_100010113723 [2,0,0,0,0,0|2,0,0]=4 1769 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [2,0,0,0,0,0|2,0,0]=4 1770 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [2,0,0,0,0,0|2,0,0]=4 1771 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [2,0,0,0,0,0|1,0,1]=4 1772 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [2,0,0,0,0,0|1,0,1]=4 1773 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [2,0,0,0,0,0|2,0,0]=4 1774 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [2,0,0,0,0,0|2,0,0]=4 1775 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [2,0,0,0,0,0|1,0,0]=3 1776 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [2,0,0,0,0,0|2,0,0]=4 1777 B10R1.176 Nc1ncc(cc1O)CO 271570a_203496583355_100012343677 [2,0,0,0,0,0|2,0,0]=4 1778 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [2,0,0,0,0,0|1,0,0]=3 1779 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [2,0,0,0,0,0|1,0,0]=3 1780 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [2,0,0,0,0,0|1,0,0]=3 1781 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [2,0,0,0,0,0|1,0,0]=3 1782 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [2,0,0,0,0,0|0,0,0]=2 1783 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [2,0,0,0,0,0|0,0,0]=2 1784 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [2,0,0,0,0,0|2,0,0]=4 1785 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [2,0,0,0,0,0|1,0,0]=3 1786 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [2,0,0,0,0,0|1,0,0]=3 1787 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [2,0,0,0,0,0|1,0,0]=3 1788 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [2,0,0,0,0,0|1,0,0]=3 1789 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [2,0,0,0,0,0|0,0,0]=2 1790 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [2,0,0,0,0,0|0,0,0]=2 1791 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [2,0,0,0,0,0|1,0,0]=3 1792 B10R1.176 OCc1cnc(c(c1)F)O 271570a_203496583355_100010065243 [2,0,0,0,0,0|2,0,0]=4 1793 B10R1.176 OCc1cnc(c(c1)O)Cl 271570a_203496583355_200015217190 [2,0,0,0,0,0|2,0,0]=4 1794 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [2,0,0,0,0,0|1,0,1]=4 1795 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [2,0,0,0,0,0|1,0,1]=4 1796 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [1,1,0,0,0,0|2,0,0]=4 1798 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [1,1,0,0,0,0|2,0,0]=4 1799 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [1,1,0,0,0,0|2,0,0]=4 1800 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [1,1,0,0,0,0|2,0,0]=4 1801 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [1,1,0,0,0,0|2,0,0]=4 1802 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [1,1,0,0,0,0|2,0,0]=4 1803 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [1,1,0,0,0,0|1,0,1]=4 1805 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [1,1,0,0,0,0|1,0,0]=3 1806 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [1,1,0,0,0,0|1,0,0]=3 1807 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [1,1,0,0,0,0|1,0,0]=3 1808 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [1,1,0,0,0,0|1,0,0]=3 1809 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [1,1,0,0,0,0|1,1,0]=4 1810 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [1,1,0,0,0,0|1,1,0]=4 1811 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [1,1,0,0,0,0|2,0,0]=4 1812 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [1,1,0,0,0,0|2,0,0]=4 1813 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1817 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [1,1,0,0,0,0|1,0,0]=3 1820 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [1,1,0,0,0,0|1,0,0]=3 1821 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [1,1,0,0,0,0|1,0,0]=3 1822 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [1,1,0,0,0,0|1,0,0]=3 1823 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [1,1,0,0,0,0|1,0,0]=3 1824 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [1,1,0,0,0,0|2,0,0]=4 1826 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [1,1,0,0,0,0|2,0,0]=4 1830 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [1,1,0,0,0,0|2,0,0]=4 1833 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [1,1,0,0,0,0|2,0,0]=4 1834 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [1,1,0,0,0,0|2,0,0]=4 1835 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [1,1,0,0,0,0|2,0,0]=4 1836 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [1,1,0,0,0,0|1,1,0]=4 1837 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [1,1,0,0,0,0|1,1,0]=4 1838 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [1,1,0,0,0,0|1,1,0]=4 1839 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [1,1,0,0,0,0|1,1,0]=4 1840 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [1,1,0,0,0,0|1,1,0]=4 1841 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [1,1,0,0,0,0|1,1,0]=4 1842 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [1,1,0,0,0,0|1,1,0]=4 1843 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1844 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [1,1,0,0,0,0|1,0,0]=3 1845 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [1,1,0,0,0,0|2,0,0]=4 1846 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [1,1,0,0,0,0|1,0,0]=3 1848 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [1,1,0,0,0,0|1,1,0]=4 1849 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [1,1,0,0,0,0|1,1,0]=4 1850 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [1,1,0,0,0,0|2,0,0]=4 1851 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [1,1,0,0,0,0|2,0,0]=4 1853 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [1,1,0,0,0,0|2,0,0]=4 1854 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [1,1,0,0,0,0|2,0,0]=4 1855 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [1,1,0,0,0,0|2,0,0]=4 1856 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [1,1,0,0,0,0|2,0,0]=4 1857 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [1,1,0,0,0,0|1,0,0]=3 1858 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [1,1,0,0,0,0|2,0,0]=4 1859 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [1,1,0,0,0,0|2,0,0]=4 1860 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [1,1,0,0,0,0|2,0,0]=4 1861 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [1,1,0,0,0,0|1,0,0]=3 1862 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [1,1,0,0,0,0|2,0,0]=4 1865 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [1,1,0,0,0,0|1,0,0]=3 1870 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [1,1,0,0,0,0|2,0,0]=4 1871 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1872 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [1,1,0,0,0,0|1,0,1]=4 1873 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [1,1,0,0,0,0|2,0,0]=4 1874 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [1,1,0,0,0,0|2,0,0]=4 1876 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [1,1,0,0,0,0|1,0,0]=3 1877 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [1,1,0,0,0,0|2,0,0]=4 1878 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [1,1,0,0,0,0|2,0,0]=4 1879 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [1,1,0,0,0,0|2,0,0]=4 1890 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [1,1,0,0,0,0|2,0,0]=4 1891 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [1,1,0,0,0,0|2,0,0]=4 1892 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [1,1,0,0,0,0|2,0,0]=4 1893 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [1,1,0,0,0,0|2,0,0]=4 1894 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [1,1,0,0,0,0|2,0,0]=4 1895 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [1,1,0,0,0,0|2,0,0]=4 1896 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [1,1,0,0,0,0|2,0,0]=4 1897 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [1,1,0,0,0,0|2,0,0]=4 1898 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [1,1,0,0,0,0|2,0,0]=4 1899 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [1,1,0,0,0,0|1,0,0]=3 1900 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [1,1,0,0,0,0|2,0,0]=4 1902 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [1,1,0,0,0,0|2,0,0]=4 1905 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [1,1,0,0,0,0|2,0,0]=4 1907 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [1,1,0,0,0,0|2,0,0]=4 1908 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [1,1,0,0,0,0|2,0,0]=4 1909 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 1910 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [1,1,0,0,0,0|2,0,0]=4 1911 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [1,1,0,0,0,0|2,0,0]=4 1912 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 1913 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 1914 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [1,1,0,0,0,0|2,0,0]=4 1915 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [1,1,0,0,0,0|2,0,0]=4 1916 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 1917 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 1918 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [1,1,0,0,0,0|2,0,0]=4 1919 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 1920 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 1921 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [1,1,0,0,0,0|1,0,0]=3 1922 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [1,1,0,0,0,0|1,0,0]=3 1923 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [1,1,0,0,0,0|2,0,0]=4 1924 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [1,1,0,0,0,0|0,0,0]=2 1925 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [1,1,0,0,0,0|1,0,0]=3 1926 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [1,1,0,0,0,0|1,0,0]=3 1927 B12R1.49 COC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010080487 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [1,1,0,0,0,0|1,0,0]=3 1929 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [1,1,0,0,0,0|2,0,0]=4 1931 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [1,1,0,0,0,0|1,0,0]=3 1932 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [1,1,0,0,0,0|2,0,0]=4 1936 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [1,1,0,0,0,0|2,0,0]=4 1940 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [1,1,0,0,0,0|1,0,0]=3 1941 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [1,1,0,0,0,0|1,0,0]=3 1942 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [1,1,0,0,0,0|1,0,0]=3 1943 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [1,1,0,0,0,0|1,0,0]=3 1944 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [1,1,0,0,0,0|1,0,0]=3 1945 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [1,1,0,0,0,0|2,0,0]=4 1953 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [1,1,0,0,0,0|2,0,0]=4 1954 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [1,1,0,0,0,0|2,0,0]=4 1955 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [1,1,0,0,0,0|2,0,0]=4 1958 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [1,1,0,0,0,0|2,0,0]=4 1959 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [1,1,0,0,0,0|1,0,0]=3 1960 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [1,1,0,0,0,0|1,0,1]=4 1961 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [1,1,0,0,0,0|1,0,1]=4 1962 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [1,1,0,0,0,0|2,0,0]=4 1965 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [1,1,0,0,0,0|2,0,0]=4 1966 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [1,1,0,0,0,0|1,0,0]=3 1970 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [1,1,0,0,0,0|2,0,0]=4 1971 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [1,1,0,0,0,0|2,0,0]=4 1972 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [1,1,0,0,0,0|2,0,0]=4 1982 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [1,1,0,0,0,0|2,0,0]=4 1983 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [1,1,0,0,0,0|2,0,0]=4 1991 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [1,1,0,0,0,0|2,0,0]=4 1992 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [1,1,0,0,0,0|2,0,0]=4 1993 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [1,1,0,0,0,0|2,0,0]=4 1994 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [1,1,0,0,0,0|1,0,0]=3 1995 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [1,1,0,0,0,0|2,0,0]=4 1996 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [1,1,0,0,0,0|2,0,0]=4 1997 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [1,1,0,0,0,0|2,0,0]=4 1998 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [1,1,0,0,0,0|2,0,0]=4 1999 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [1,1,0,0,0,0|2,0,0]=4 2000 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [1,1,0,0,0,0|2,0,0]=4 2002 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [1,1,0,0,0,0|2,0,0]=4 2003 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [1,1,0,0,0,0|2,0,0]=4 2004 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [1,1,0,0,0,0|2,0,0]=4 2005 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [1,1,0,0,0,0|2,0,0]=4 2006 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [1,1,0,0,0,0|2,0,0]=4 2011 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [1,1,0,0,0,0|2,0,0]=4 2013 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [1,1,0,0,0,0|2,0,0]=4 2014 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [1,1,0,0,0,0|2,0,0]=4 2015 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [1,1,0,0,0,0|2,0,0]=4 2016 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2017 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2018 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [1,1,0,0,0,0|2,0,0]=4 2020 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [1,1,0,0,0,0|2,0,0]=4 2021 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [1,1,0,0,0,0|2,0,0]=4 2022 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [1,1,0,0,0,0|2,0,0]=4 2023 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [1,1,0,0,0,0|1,0,0]=3 2024 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [1,1,0,0,0,0|2,0,0]=4 2025 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [1,1,0,0,0,0|2,0,0]=4 2026 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2027 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [1,1,0,0,0,0|2,0,0]=4 2028 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [1,1,0,0,0,0|2,0,0]=4 2029 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [1,1,0,0,0,0|2,0,0]=4 2030 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2031 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [1,1,0,0,0,0|1,0,0]=3 2032 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [1,1,0,0,0,0|2,0,0]=4 2033 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [1,1,0,0,0,0|2,0,0]=4 2034 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [1,1,0,0,0,0|2,0,0]=4 2035 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [1,1,0,0,0,0|2,0,0]=4 2036 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [1,1,0,0,0,0|2,0,0]=4 2037 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [1,1,0,0,0,0|2,0,0]=4 2038 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [1,1,0,0,0,0|1,0,0]=3 2039 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [1,1,0,0,0,0|2,0,0]=4 2040 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [1,1,0,0,0,0|2,0,0]=4 2041 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [1,1,0,0,0,0|2,0,0]=4 2042 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [1,1,0,0,0,0|2,0,0]=4 2044 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [1,1,0,0,0,0|1,0,0]=3 2045 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [1,1,0,0,0,0|2,0,0]=4 2046 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [1,1,0,0,0,0|2,0,0]=4 2047 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [1,1,0,0,0,0|2,0,0]=4 2052 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2053 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [1,1,0,0,0,0|2,0,0]=4 2054 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [1,1,0,0,0,0|2,0,0]=4 2056 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [1,1,0,0,0,0|2,0,0]=4 2057 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [1,1,0,0,0,0|1,0,0]=3 2058 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [1,1,0,0,0,0|1,0,0]=3 2059 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2060 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2061 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2062 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [1,1,0,0,0,0|2,0,0]=4 2063 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [1,1,0,0,0,0|2,0,0]=4 2064 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [1,1,0,0,0,0|2,0,0]=4 2065 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 2068 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [1,1,0,0,0,0|2,0,0]=4 2070 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 2071 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 2072 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 2073 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [1,1,0,0,0,0|2,0,0]=4 2074 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 2075 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 2076 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 2077 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [1,1,0,0,0,0|2,0,0]=4 2078 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 2079 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 2080 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 2081 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [1,1,0,0,0,0|1,0,0]=3 2082 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [1,1,0,0,0,0|1,0,0]=3 2083 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [1,1,0,0,0,0|2,0,0]=4 2084 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [1,1,0,0,0,0|2,0,0]=4 2085 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [1,1,0,0,0,0|1,0,0]=3 2086 B12R1.50 COC(=O)Cc1cc(ncn1)O 271570a_203496583355_100000104187 [1,1,0,0,0,0|2,0,0]=4 2087 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [1,1,0,0,0,0|0,0,0]=2 2088 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [1,1,0,0,0,0|1,0,0]=3 2089 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [1,1,0,0,0,0|1,0,0]=3 2090 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [1,1,0,0,0,0|2,0,0]=4 2091 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [1,1,0,0,0,0|2,0,0]=4 2092 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [1,1,0,0,0,0|1,0,0]=3 2093 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [1,1,0,0,0,0|2,0,0]=4 2094 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [1,1,0,0,0,0|2,0,0]=4 2095 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [1,1,0,0,0,0|2,0,0]=4 2096 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [1,1,0,0,0,0|2,0,0]=4 2097 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [1,1,0,0,0,0|2,0,0]=4 2098 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [1,1,0,0,0,0|1,0,1]=4 2099 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [1,1,0,0,0,0|2,0,0]=4 2100 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [1,1,0,0,0,0|2,0,0]=4 2101 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [1,1,0,0,0,0|2,0,0]=4 2102 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [1,1,0,0,0,0|2,0,0]=4 2103 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [1,1,0,0,0,0|1,0,0]=3 2104 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [1,1,0,0,0,0|2,0,0]=4 2105 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [1,1,0,0,0,0|2,0,0]=4 2106 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [1,1,0,0,0,0|1,0,0]=3 2107 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [1,1,0,0,0,0|1,0,0]=3 2108 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [1,1,0,0,0,0|1,0,0]=3 2109 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [1,1,0,0,0,0|1,0,0]=3 2110 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [1,1,0,0,0,0|0,0,0]=2 2111 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [1,1,0,0,0,0|2,0,0]=4 2112 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [1,1,0,0,0,0|2,0,0]=4 2113 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [1,1,0,0,0,0|2,0,0]=4 2114 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [1,1,0,0,0,0|2,0,0]=4 2115 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [1,1,0,0,0,0|2,0,0]=4 2116 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [1,1,0,0,0,0|2,0,0]=4 2117 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [1,1,0,0,0,0|2,0,0]=4 2118 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [1,1,0,0,0,0|2,0,0]=4 2119 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [1,1,0,0,0,0|2,0,0]=4 2120 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [1,1,0,0,0,0|2,0,0]=4 2121 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [1,1,0,0,0,0|2,0,0]=4 2122 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [1,1,0,0,0,0|2,0,0]=4 2123 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [1,1,0,0,0,0|2,0,0]=4 2124 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [1,1,0,0,0,0|2,0,0]=4 2125 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [1,1,0,0,0,0|2,0,0]=4 2126 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [1,1,0,0,0,0|1,0,0]=3 2127 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [1,1,0,0,0,0|1,0,0]=3 2128 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000070787_100011216082 [1,1,0,0,0,0|2,0,0]=4 2129 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2130 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [1,1,0,0,0,0|2,0,0]=4 2131 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000070787_100000766940 [1,1,0,0,0,0|2,0,0]=4 2132 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2133 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [1,1,0,0,0,0|2,0,0]=4 2134 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [1,1,0,0,0,0|2,0,0]=4 2135 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [1,1,0,0,0,0|2,0,0]=4 2136 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [1,1,0,0,0,0|2,0,0]=4 2137 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000070787_100011219885 [1,1,0,0,0,0|2,0,0]=4 2138 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200000210301 [1,1,0,0,0,0|2,0,0]=4 2139 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [1,1,0,0,0,0|2,0,0]=4 2140 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [1,1,0,0,0,0|2,0,0]=4 2141 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100000070787_100000697002 [1,1,0,0,0,0|2,0,0]=4 2142 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200000210301 [1,1,0,0,0,0|2,0,0]=4 2143 B12R1.101 CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000070787_100010146614 [1,1,0,0,0,0|2,0,0]=4 2144 B12R1.101 CC(=O)Cc1cc(cc(c1)I)F 1458a_100000070787_100010149605 [1,1,0,0,0,0|2,0,0]=4 2145 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100015343762 [1,1,0,0,0,0|2,0,0]=4 2146 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000070787 [1,1,0,0,0,0|2,0,0]=4 2147 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [1,1,0,0,0,0|2,0,0]=4 2148 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [1,1,0,0,0,0|2,0,0]=4 2149 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [1,1,0,0,0,0|2,0,0]=4 2150 B12R1.101 CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100103153847 [1,1,0,0,0,0|2,0,0]=4 2151 B12R1.101 CC(=O)Oc1cc(cc(c1)F)O 271570a_203496583355_200015324874 [1,1,0,0,0,0|2,0,0]=4 2152 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [1,1,0,0,0,0|2,0,0]=4 2153 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [1,1,0,0,0,0|2,0,0]=4 2154 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2155 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2156 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [1,1,0,0,0,0|2,0,0]=4 2157 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200025704644 [1,1,0,0,0,0|2,0,0]=4 2158 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200025704644 [1,1,0,0,0,0|2,0,0]=4 2159 B12R1.119 CS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_200009814643 [1,1,0,0,0,0|1,0,1]=4 2160 B12R1.119 NS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_100000725052 [1,1,0,0,0,0|1,0,1]=4 2161 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [1,1,0,0,0,0|2,0,0]=4 2162 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [1,1,0,0,0,0|2,0,0]=4 2163 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [1,1,0,0,0,0|2,0,0]=4 2164 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [1,1,0,0,0,0|2,0,0]=4 2165 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [1,1,0,0,0,0|2,0,0]=4 2166 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [1,1,0,0,0,0|2,0,0]=4 2167 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [1,1,0,0,0,0|2,0,0]=4 2168 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [1,1,0,0,0,0|2,0,0]=4 2169 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [1,1,0,0,0,0|2,0,0]=4 2170 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [1,1,0,0,0,0|2,0,0]=4 2171 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [1,1,0,0,0,0|2,0,0]=4 2172 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [1,1,0,0,0,0|2,0,0]=4 2173 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [1,1,0,0,0,0|2,0,0]=4 2174 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [1,1,0,0,0,0|2,0,0]=4 2175 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [1,1,0,0,0,0|2,0,0]=4 2176 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [1,1,0,0,0,0|2,0,0]=4 2177 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [1,1,0,0,0,0|2,0,0]=4 2178 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [1,1,0,0,0,0|2,0,0]=4 2179 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [1,1,0,0,0,0|2,0,0]=4 2180 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [1,1,0,0,0,0|2,0,0]=4 2181 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [1,1,0,0,0,0|2,0,0]=4 2182 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [1,1,0,0,0,0|2,0,0]=4 2183 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [1,1,0,0,0,0|2,0,0]=4 2184 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [1,1,0,0,0,0|2,0,0]=4 2185 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [1,1,0,0,0,0|2,0,0]=4 2186 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [1,1,0,0,0,0|2,0,0]=4 2188 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [1,1,0,0,0,0|2,0,0]=4 2189 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [1,1,0,0,0,0|2,0,0]=4 2190 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [1,1,0,0,0,0|2,0,0]=4 2191 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [1,1,0,0,0,0|2,0,0]=4 2192 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [1,1,0,0,0,0|2,0,0]=4 2193 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [1,1,0,0,0,0|2,0,0]=4 2194 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [1,1,0,0,0,0|2,0,0]=4 2195 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [1,1,0,0,0,0|2,0,0]=4 2196 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [1,1,0,0,0,0|2,0,0]=4 2197 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [1,1,0,0,0,0|1,0,0]=3 2198 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [1,1,0,0,0,0|1,0,0]=3 2199 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [1,1,0,0,0,0|2,0,0]=4 2200 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [1,1,0,0,0,0|2,0,0]=4 2201 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [1,1,0,0,0,0|2,0,0]=4 2202 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [1,1,0,0,0,0|2,0,0]=4 2203 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [1,1,0,0,0,0|2,0,0]=4 2204 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [1,1,0,0,0,0|2,0,0]=4 2205 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [1,1,0,0,0,0|2,0,0]=4 2206 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [1,1,0,0,0,0|2,0,0]=4 2207 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [1,1,0,0,0,0|2,0,0]=4 2208 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [1,1,0,0,0,0|2,0,0]=4 2209 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [1,1,0,0,0,0|2,0,0]=4 2210 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [1,1,0,0,0,0|2,0,0]=4 2211 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [1,1,0,0,0,0|2,0,0]=4 2212 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [1,1,0,0,0,0|2,0,0]=4 2213 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [1,1,0,0,0,0|2,0,0]=4 2214 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [1,1,0,0,0,0|2,0,0]=4 2215 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [1,1,0,0,0,0|2,0,0]=4 2216 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [1,1,0,0,0,0|2,0,0]=4 2217 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [1,1,0,0,0,0|2,0,0]=4 2218 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [1,1,0,0,0,0|2,0,0]=4 2219 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [1,1,0,0,0,0|2,0,0]=4 2220 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [1,1,0,0,0,0|2,0,0]=4 2221 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [1,1,0,0,0,0|2,0,0]=4 2222 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [1,1,0,0,0,0|2,0,0]=4 2223 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [1,1,0,0,0,0|2,0,0]=4 2224 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [1,1,0,0,0,0|2,0,0]=4 2225 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [1,1,0,0,0,0|1,0,0]=3 2226 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [1,1,0,0,0,0|2,0,0]=4 2227 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2228 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [1,1,0,0,0,0|2,0,0]=4 2229 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [1,1,0,0,0,0|2,0,0]=4 2230 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [1,1,0,0,0,0|2,0,0]=4 2231 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [1,1,0,0,0,0|2,0,0]=4 2232 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [1,1,0,0,0,0|2,0,0]=4 2233 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [1,1,0,0,0,0|2,0,0]=4 2234 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [1,1,0,0,0,0|2,0,0]=4 2235 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [1,1,0,0,0,0|2,0,0]=4 2236 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [1,1,0,0,0,0|2,0,0]=4 2237 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2238 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [1,1,0,0,0,0|2,0,0]=4 2240 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [1,1,0,0,0,0|2,0,0]=4 2241 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [1,1,0,0,0,0|2,0,0]=4 2242 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [1,1,0,0,0,0|2,0,0]=4 2243 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [1,1,0,0,0,0|2,0,0]=4 2244 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [1,1,0,0,0,0|2,0,0]=4 2245 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [1,1,0,0,0,0|2,0,0]=4 2246 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [1,1,0,0,0,0|2,0,0]=4 2247 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [1,1,0,0,0,0|2,0,0]=4 2248 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [1,1,0,0,0,0|2,0,0]=4 2249 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [1,1,0,0,0,0|2,0,0]=4 2250 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [1,1,0,0,0,0|2,0,0]=4 2251 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [1,1,0,0,0,0|2,0,0]=4 2252 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [1,1,0,0,0,0|2,0,0]=4 2253 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [1,1,0,0,0,0|2,0,0]=4 2254 B12R1.224 CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000070787 [1,1,0,0,0,0|2,0,0]=4 2255 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [1,1,0,0,0,0|2,0,0]=4 2256 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [1,1,0,0,0,0|2,0,0]=4 2257 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [1,1,0,0,0,0|2,0,0]=4 2258 B12R1.224 CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000070787 [1,1,0,0,0,0|2,0,0]=4 2259 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2260 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2261 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [1,1,0,0,0,0|2,0,0]=4 2262 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [1,1,0,0,0,0|2,0,0]=4 2263 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [1,1,0,0,0,0|2,0,0]=4 2264 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [1,1,0,0,0,0|2,0,0]=4 2265 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [1,1,0,0,0,0|2,0,0]=4 2266 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [1,1,0,0,0,0|2,0,0]=4 2267 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [1,1,0,0,0,0|2,0,0]=4 2268 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [1,1,0,0,0,0|2,0,0]=4 2269 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [1,1,0,0,0,0|2,0,0]=4 2270 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [1,1,0,0,0,0|2,0,0]=4 2271 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2272 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [1,1,0,0,0,0|2,0,0]=4 2273 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [1,1,0,0,0,0|2,0,0]=4 2274 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2275 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [1,1,0,0,0,0|2,0,0]=4 2276 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2277 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [1,1,0,0,0,0|2,0,0]=4 2278 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [1,1,0,0,0,0|2,0,0]=4 2279 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2280 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [1,1,0,0,0,0|2,0,0]=4 2281 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [1,1,0,0,0,0|2,0,0]=4 2282 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2283 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [1,1,0,0,0,0|2,0,0]=4 2284 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [1,1,0,0,0,0|2,0,0]=4 2285 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2286 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [1,1,0,0,0,0|2,0,0]=4 2287 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [1,1,0,0,0,0|2,0,0]=4 2288 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [1,1,0,0,0,0|2,0,0]=4 2289 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [1,1,0,0,0,0|2,0,0]=4 2290 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [1,1,0,0,0,0|1,0,1]=4 2291 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [1,1,0,0,0,0|1,0,0]=3 2292 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [1,1,0,0,0,0|1,1,0]=4 2293 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [1,1,0,0,0,0|1,1,0]=4 2294 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [1,1,0,0,0,0|2,0,0]=4 2295 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [1,1,0,0,0,0|2,0,0]=4 2296 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [1,1,0,0,0,0|2,0,0]=4 2297 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [1,1,0,0,0,0|2,0,0]=4 2298 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [1,1,0,0,0,0|2,0,0]=4 2299 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2300 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2301 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [1,1,0,0,0,0|2,0,0]=4 2302 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [1,1,0,0,0,0|2,0,0]=4 2303 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [1,1,0,0,0,0|2,0,0]=4 2304 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [1,1,0,0,0,0|1,0,0]=3 2305 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [1,1,0,0,0,0|1,0,0]=3 2306 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2307 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2308 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [1,1,0,0,0,0|1,0,0]=3 2309 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [1,1,0,0,0,0|2,0,0]=4 2310 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [1,1,0,0,0,0|2,0,0]=4 2311 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [1,1,0,0,0,0|2,0,0]=4 2312 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [1,1,0,0,0,0|2,0,0]=4 2313 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [1,1,0,0,0,0|2,0,0]=4 2314 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [1,1,0,0,0,0|2,0,0]=4 2315 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2316 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2317 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [1,1,0,0,0,0|2,0,0]=4 2318 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [1,1,0,0,0,0|2,0,0]=4 2319 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [1,1,0,0,0,0|2,0,0]=4 2320 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [1,1,0,0,0,0|1,1,0]=4 2321 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [1,1,0,0,0,0|1,1,0]=4 2322 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [1,1,0,0,0,0|1,1,0]=4 2323 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [1,1,0,0,0,0|1,1,0]=4 2324 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [1,1,0,0,0,0|1,1,0]=4 2325 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [1,1,0,0,0,0|1,1,0]=4 2326 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [1,1,0,0,0,0|2,0,0]=4 2327 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2328 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2329 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2330 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2331 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2332 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2333 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [1,1,0,0,0,0|1,1,0]=4 2334 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [1,1,0,0,0,0|1,1,0]=4 2335 B12R1.286 CC=Cc1ccc(c(c1)CO)O 271570a_100016259895_100000184703 [1,1,0,0,0,0|1,0,1]=4 2336 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [1,1,0,0,0,0|1,0,1]=4 2337 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [1,1,0,0,0,0|2,0,0]=4 2338 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [1,1,0,0,0,0|1,0,1]=4 2339 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [1,1,0,0,0,0|2,0,0]=4 2340 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [1,1,0,0,0,0|1,0,1]=4 2341 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,1,0,0,0,0|1,0,1]=4 2342 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,1,0,0,0,0|2,0,0]=4 2343 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [1,1,0,0,0,0|1,0,1]=4 2344 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [1,1,0,0,0,0|1,0,1]=4 2345 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [1,1,0,0,0,0|0,0,1]=3 2346 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,1,0,0,0,0|2,0,0]=4 2347 B12R1.385 C#CCNc1ccc(c(c1)O)O 34a_100102946323_100000184674 [1,1,0,0,0,0|1,0,1]=4 2348 B12R1.385 C#CCSc1ccc(c(c1)O)O 62a_100000038162_100009813601 [1,1,0,0,0,0|1,0,1]=4 2349 B12R1.385 C=CCNc1ccc(c(c1)Br)O 34a_100011534360_100015514636 [1,1,0,0,0,0|2,0,0]=4 2350 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [1,1,0,0,0,0|2,0,0]=4 2351 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [1,1,0,0,0,0|2,0,0]=4 2352 B12R1.385 C=CCNc1ccc(c(c1)Cl)O 34a_100000744943_100015514636 [1,1,0,0,0,0|2,0,0]=4 2353 B12R1.385 C=CCNc1ccc(c(c1)F)O 34a_100011220035_100015514636 [1,1,0,0,0,0|2,0,0]=4 2354 B12R1.385 C=CCNc1ccc(c(c1)F)O 7a_100011220035_100015514636 [1,1,0,0,0,0|2,0,0]=4 2355 B12R1.385 C=CCNc1ccc(c(c1)O)C 34a_100000759471_100015514636 [1,1,0,0,0,0|2,0,0]=4 2356 B12R1.385 C=CCNc1ccc(c(c1)O)C 7a_100000759471_100015514636 [1,1,0,0,0,0|2,0,0]=4 2357 B12R1.385 C=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100015514636 [1,1,0,0,0,0|2,0,0]=4 2358 B12R1.385 C=CCNc1ccc(c(c1)O)F 34a_100012017398_100015514636 [1,1,0,0,0,0|2,0,0]=4 2359 B12R1.385 C=CCNc1ccc(c(c1)O)F 7a_100012017398_100015514636 [1,1,0,0,0,0|2,0,0]=4 2360 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [1,1,0,0,0,0|1,0,0]=3 2361 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100000210623_100012361655 [1,1,0,0,0,0|2,0,0]=4 2362 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210623 [1,1,0,0,0,0|2,0,0]=4 2363 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [1,1,0,0,0,0|2,0,0]=4 2364 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100000210623_100012360047 [1,1,0,0,0,0|2,0,0]=4 2365 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210623 [1,1,0,0,0,0|2,0,0]=4 2366 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000185481_100000210623 [1,1,0,0,0,0|2,0,0]=4 2367 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000210623_100000185481 [1,1,0,0,0,0|2,0,0]=4 2368 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000210623_100000752626 [1,1,0,0,0,0|2,0,0]=4 2369 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000752626_100000210623 [1,1,0,0,0,0|2,0,0]=4 2370 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100000210623_100012356990 [1,1,0,0,0,0|2,0,0]=4 2371 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210623 [1,1,0,0,0,0|2,0,0]=4 2372 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000210623_100000685420 [1,1,0,0,0,0|2,0,0]=4 2373 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000685420_100000210623 [1,1,0,0,0,0|2,0,0]=4 2374 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100000210623_100011356854 [1,1,0,0,0,0|2,0,0]=4 2375 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210623 [1,1,0,0,0,0|2,0,0]=4 2376 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000210623_100000686035 [1,1,0,0,0,0|2,0,0]=4 2377 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000686035_100000210623 [1,1,0,0,0,0|2,0,0]=4 2378 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000210623_100000739049 [1,1,0,0,0,0|2,0,0]=4 2379 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000739049_100000210623 [1,1,0,0,0,0|2,0,0]=4 2380 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [1,1,0,0,0,0|1,0,0]=3 2381 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,1,0,0,0,0|1,0,1]=4 2382 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [1,1,0,0,0,0|1,0,1]=4 2383 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [1,1,0,0,0,0|1,0,1]=4 2384 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [1,1,0,0,0,0|1,0,1]=4 2385 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [1,1,0,0,0,0|1,0,1]=4 2386 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [1,1,0,0,0,0|1,0,1]=4 2387 B12R1.385 COCSc1ccc(c(c1)O)O 62a_100000766300_100009813601 [1,1,0,0,0,0|1,0,1]=4 2388 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [1,1,0,0,0,0|0,1,1]=4 2389 B12R1.385 CSCNc1ccc(c(c1)O)O 34a_100102946323_100011218213 [1,1,0,0,0,0|2,0,0]=4 2390 B12R1.385 CSCSc1ccc(c(c1)O)O 62a_100011218213_100009813601 [1,1,0,0,0,0|2,0,0]=4 2391 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [1,1,0,0,0,0|2,0,0]=4 2392 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [1,1,0,0,0,0|2,0,0]=4 2393 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [1,1,0,0,0,0|2,0,0]=4 2394 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [1,1,0,0,0,0|2,0,0]=4 2395 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [1,1,0,0,0,0|2,0,0]=4 2396 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [1,1,0,0,0,0|2,0,0]=4 2397 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [1,1,0,0,0,0|2,0,0]=4 2398 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [1,1,0,0,0,0|2,0,0]=4 2399 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [1,1,0,0,0,0|2,0,0]=4 2400 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [1,1,0,0,0,0|2,0,0]=4 2401 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [1,1,0,0,0,0|2,0,0]=4 2402 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [1,1,0,0,0,0|2,0,0]=4 2403 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [1,1,0,0,0,0|2,0,0]=4 2404 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [1,1,0,0,0,0|2,0,0]=4 2405 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [1,1,0,0,0,0|2,0,0]=4 2406 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [1,1,0,0,0,0|2,0,0]=4 2407 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [1,1,0,0,0,0|2,0,0]=4 2408 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [1,1,0,0,0,0|2,0,0]=4 2409 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [1,1,0,0,0,0|2,0,0]=4 2410 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [1,1,0,0,0,0|2,0,0]=4 2411 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [1,1,0,0,0,0|2,0,0]=4 2412 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [1,1,0,0,0,0|2,0,0]=4 2413 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [1,1,0,0,0,0|2,0,0]=4 2414 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [1,1,0,0,0,0|2,0,0]=4 2415 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [1,1,0,0,0,0|2,0,0]=4 2416 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [1,1,0,0,0,0|2,0,0]=4 2417 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [1,1,0,0,0,0|2,0,0]=4 2418 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [1,1,0,0,0,0|2,0,0]=4 2419 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [1,1,0,0,0,0|2,0,0]=4 2420 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [1,1,0,0,0,0|1,0,0]=3 2421 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [1,1,0,0,0,0|1,0,0]=3 2422 B12R1.385 Cc1cc(ccc1O)NCCO 34a_100011218179_100000211926 [1,1,0,0,0,0|1,0,1]=4 2423 B12R1.385 Cc1cc(ccc1O)NCCO 7a_100011218179_100000211926 [1,1,0,0,0,0|1,0,1]=4 2424 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [1,1,0,0,0,0|1,0,0]=3 2425 B12R1.385 Cc1cc(ccc1O)SCCO 62a_100000211926_100000186361 [1,1,0,0,0,0|1,0,1]=4 2426 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_100000685391_200015260668 [1,1,0,0,0,0|2,0,0]=4 2427 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_200015260668_100000685391 [1,1,0,0,0,0|2,0,0]=4 2428 B12R1.385 Cc1cc(ncc1O)SCC=O 62a_200015260668_100000692680 [1,1,0,0,0,0|2,0,0]=4 2429 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [1,1,0,0,0,0|2,0,0]=4 2430 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [1,1,0,0,0,0|2,0,0]=4 2431 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [1,1,0,0,0,0|2,0,0]=4 2432 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [1,1,0,0,0,0|2,0,0]=4 2433 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [1,1,0,0,0,0|2,0,0]=4 2434 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [1,1,0,0,0,0|2,0,0]=4 2435 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [1,1,0,0,0,0|2,0,0]=4 2436 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [1,1,0,0,0,0|2,0,0]=4 2437 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [1,1,0,0,0,0|2,0,0]=4 2438 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [1,1,0,0,0,0|2,0,0]=4 2439 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [1,1,0,0,0,0|2,0,0]=4 2440 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [1,1,0,0,0,0|2,0,0]=4 2441 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [1,1,0,0,0,0|2,0,0]=4 2442 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [1,1,0,0,0,0|2,0,0]=4 2443 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [1,1,0,0,0,0|2,0,0]=4 2444 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [1,1,0,0,0,0|2,0,0]=4 2445 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [1,1,0,0,0,0|2,0,0]=4 2446 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [1,1,0,0,0,0|2,0,0]=4 2447 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [1,1,0,0,0,0|2,0,0]=4 2448 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [1,1,0,0,0,0|2,0,0]=4 2449 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [1,1,0,0,0,0|2,0,0]=4 2450 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [1,1,0,0,0,0|2,0,0]=4 2451 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [1,1,0,0,0,0|2,0,0]=4 2452 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [1,1,0,0,0,0|2,0,0]=4 2453 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [1,1,0,0,0,0|2,0,0]=4 2454 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [1,1,0,0,0,0|2,0,0]=4 2455 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [1,1,0,0,0,0|2,0,0]=4 2456 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [1,1,0,0,0,0|2,0,0]=4 2457 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [1,1,0,0,0,0|2,0,0]=4 2458 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [1,1,0,0,0,0|2,0,0]=4 2459 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [1,1,0,0,0,0|2,0,0]=4 2460 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [1,1,0,0,0,0|2,0,0]=4 2461 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [1,1,0,0,0,0|2,0,0]=4 2462 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [1,1,0,0,0,0|2,0,0]=4 2463 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [1,1,0,0,0,0|1,0,0]=3 2464 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [1,1,0,0,0,0|1,0,0]=3 2465 B12R1.385 Cc1ccc(cc1O)NCCO 34a_100000759471_100000211926 [1,1,0,0,0,0|1,0,1]=4 2466 B12R1.385 Cc1ccc(cc1O)NCCO 7a_100000759471_100000211926 [1,1,0,0,0,0|1,0,1]=4 2467 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [1,1,0,0,0,0|1,0,0]=3 2468 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [1,1,0,0,0,0|1,0,0]=3 2469 B12R1.385 Cc1ccc(cc1O)SCCO 271570a_203496583355_100010989109 [1,1,0,0,0,0|1,0,1]=4 2470 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000211926_100000685420 [1,1,0,0,0,0|1,0,1]=4 2471 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000685420_100000211926 [1,1,0,0,0,0|1,0,1]=4 2472 B12R1.385 Cc1cnc(cc1O)SCC=O 62a_100000704368_200015260668 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.385 Cc1cnc(cc1O)SCC=O 62a_200015260668_100000704368 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_100010233687_200015260668 [1,1,0,0,0,0|2,0,0]=4 2475 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_200015260668_100010233687 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.385 Cc1ncc(cc1O)SCC=O 62a_100009864810_200015260668 [1,1,0,0,0,0|2,0,0]=4 2477 B12R1.385 Cc1ncc(cc1O)SCC=O 62a_200015260668_100009864810 [1,1,0,0,0,0|2,0,0]=4 2478 B12R1.385 N#CCSc1ccc(c(c1)O)O 62a_100011215382_100009813601 [1,1,0,0,0,0|1,0,1]=4 2479 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [1,1,0,0,0,0|2,0,0]=4 2480 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_100000750456_200015260668 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_200015260668_100000750456 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [1,1,0,0,0,0|2,0,0]=4 2485 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_100000740924_200015260668 [1,1,0,0,0,0|2,0,0]=4 2489 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_200015260668_100000740924 [1,1,0,0,0,0|2,0,0]=4 2490 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [1,1,0,0,0,0|1,0,0]=3 2491 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [1,1,0,0,0,0|1,0,0]=3 2492 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000211926_100000752626 [1,1,0,0,0,0|1,0,1]=4 2493 B12R1.385 Nc1cc(ccc1O)SCCO 62a_100000752626_100000211926 [1,1,0,0,0,0|1,0,1]=4 2494 B12R1.385 Nc1cc(cnc1O)SCC=O 62a_100000743729_200015260668 [1,1,0,0,0,0|2,0,0]=4 2495 B12R1.385 Nc1cc(cnc1O)SCC=O 62a_200015260668_100000743729 [1,1,0,0,0,0|2,0,0]=4 2496 B12R1.385 Nc1cc(ncc1O)SCC=O 62a_100009819941_200015260668 [1,1,0,0,0,0|2,0,0]=4 2497 B12R1.385 Nc1cc(ncc1O)SCC=O 62a_200015260668_100009819941 [1,1,0,0,0,0|2,0,0]=4 2498 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [1,1,0,0,0,0|2,0,0]=4 2499 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [1,1,0,0,0,0|2,0,0]=4 2500 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_100000750455_200015260668 [1,1,0,0,0,0|2,0,0]=4 2501 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_200015260668_100000750455 [1,1,0,0,0,0|2,0,0]=4 2502 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [1,1,0,0,0,0|2,0,0]=4 2503 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_100011218065_200015260668 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_200015260668_100011218065 [1,1,0,0,0,0|2,0,0]=4 2506 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [1,1,0,0,0,0|2,0,0]=4 2507 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [1,1,0,0,0,0|2,0,0]=4 2508 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_100011215594_200015260668 [1,1,0,0,0,0|2,0,0]=4 2509 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_200015260668_100011215594 [1,1,0,0,0,0|2,0,0]=4 2510 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [1,1,0,0,0,0|2,0,0]=4 2511 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [1,1,0,0,0,0|2,0,0]=4 2512 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [1,1,0,0,0,0|2,0,0]=4 2513 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_100000741789_200015260668 [1,1,0,0,0,0|2,0,0]=4 2514 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_200015260668_100011534411 [1,1,0,0,0,0|2,0,0]=4 2515 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [1,1,0,0,0,0|1,0,0]=3 2516 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [1,1,0,0,0,0|1,0,0]=3 2517 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000211926_100000739049 [1,1,0,0,0,0|1,0,1]=4 2518 B12R1.385 Nc1ccc(cc1O)SCCO 62a_100000739049_100000211926 [1,1,0,0,0,0|1,0,1]=4 2519 B12R1.385 Nc1ccc(nc1O)SCC=O 62a_100000718904_200015260668 [1,1,0,0,0,0|2,0,0]=4 2520 B12R1.385 Nc1nc(ccc1O)SCC=O 62a_100000685527_200015260668 [1,1,0,0,0,0|2,0,0]=4 2521 B12R1.385 Nc1nc(ccc1O)SCC=O 62a_200015260668_100000685527 [1,1,0,0,0,0|2,0,0]=4 2522 B12R1.385 Nc1ncc(cc1O)SCC=O 62a_100009819042_200015260668 [1,1,0,0,0,0|2,0,0]=4 2523 B12R1.385 Nc1ncc(cc1O)SCC=O 62a_200015260668_100009819042 [1,1,0,0,0,0|2,0,0]=4 2524 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_200015260668 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 34a_100011306057_200009817547 [1,1,0,0,0,0|2,0,0]=4 2526 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 7a_100011306057_200015260668 [1,1,0,0,0,0|2,0,0]=4 2527 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [1,1,0,0,0,0|2,0,0]=4 2528 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [1,1,0,0,0,0|2,0,0]=4 2529 B12R1.385 O=CCNc1ccc(c(c1)Br)F 2230a_100000760356_200015260668 [1,1,0,0,0,0|2,0,0]=4 2530 B12R1.385 O=CCNc1ccc(c(c1)Br)F 34a_100000760356_200009817547 [1,1,0,0,0,0|2,0,0]=4 2531 B12R1.385 O=CCNc1ccc(c(c1)Br)F 7a_100000760356_200015260668 [1,1,0,0,0,0|2,0,0]=4 2532 B12R1.385 O=CCNc1ccc(c(c1)Br)I 34a_100000750458_200009817547 [1,1,0,0,0,0|2,0,0]=4 2533 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [1,1,0,0,0,0|1,0,0]=3 2534 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_200015260668 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_200009817547 [1,1,0,0,0,0|2,0,0]=4 2536 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_200015260668 [1,1,0,0,0,0|2,0,0]=4 2537 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [1,1,0,0,0,0|2,0,0]=4 2538 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [1,1,0,0,0,0|2,0,0]=4 2539 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_200015260668 [1,1,0,0,0,0|2,0,0]=4 2540 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 34a_100000211060_200009817547 [1,1,0,0,0,0|2,0,0]=4 2541 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 7a_100000211060_200015260668 [1,1,0,0,0,0|2,0,0]=4 2542 B12R1.385 O=CCNc1ccc(c(c1)Cl)I 34a_100000761885_200009817547 [1,1,0,0,0,0|2,0,0]=4 2543 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [1,1,0,0,0,0|1,0,0]=3 2544 B12R1.385 O=CCNc1ccc(c(c1)F)Br 2230a_100000759894_200015260668 [1,1,0,0,0,0|2,0,0]=4 2545 B12R1.385 O=CCNc1ccc(c(c1)F)Br 34a_100000759894_200009817547 [1,1,0,0,0,0|2,0,0]=4 2546 B12R1.385 O=CCNc1ccc(c(c1)F)Br 7a_100000759894_200015260668 [1,1,0,0,0,0|2,0,0]=4 2547 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [1,1,0,0,0,0|2,0,0]=4 2548 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [1,1,0,0,0,0|2,0,0]=4 2549 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.385 O=CCNc1ccc(c(c1)F)F 2230a_100000210724_200015260668 [1,1,0,0,0,0|2,0,0]=4 2551 B12R1.385 O=CCNc1ccc(c(c1)F)F 34a_100000210724_200009817547 [1,1,0,0,0,0|2,0,0]=4 2552 B12R1.385 O=CCNc1ccc(c(c1)F)F 7a_100000210724_200015260668 [1,1,0,0,0,0|2,0,0]=4 2553 B12R1.385 O=CCNc1ccc(c(c1)F)I 34a_100011356925_200009817547 [1,1,0,0,0,0|2,0,0]=4 2554 B12R1.385 O=CCNc1ccc(c(c1)F)I 7a_100011356925_200015260668 [1,1,0,0,0,0|2,0,0]=4 2555 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [1,1,0,0,0,0|1,0,0]=3 2556 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [1,1,0,0,0,0|1,0,0]=3 2557 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [1,1,0,0,0,0|2,0,0]=4 2558 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [1,1,0,0,0,0|2,0,0]=4 2559 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [1,1,0,0,0,0|2,0,0]=4 2560 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [1,1,0,0,0,0|2,0,0]=4 2561 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [1,1,0,0,0,0|1,0,0]=3 2562 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [1,1,0,0,0,0|1,0,0]=3 2563 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [1,1,0,0,0,0|1,0,0]=3 2564 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [1,1,0,0,0,0|0,0,0]=2 2565 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [1,1,0,0,0,0|2,0,0]=4 2566 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [1,1,0,0,0,0|2,0,0]=4 2567 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [1,1,0,0,0,0|2,0,0]=4 2568 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [1,1,0,0,0,0|2,0,0]=4 2569 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [1,1,0,0,0,0|2,0,0]=4 2570 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [1,1,0,0,0,0|2,0,0]=4 2571 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [1,1,0,0,0,0|2,0,0]=4 2572 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [1,1,0,0,0,0|2,0,0]=4 2573 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [1,1,0,0,0,0|2,0,0]=4 2574 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [1,1,0,0,0,0|2,0,0]=4 2575 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [1,1,0,0,0,0|2,0,0]=4 2576 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [1,1,0,0,0,0|2,0,0]=4 2577 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [1,1,0,0,0,0|2,0,0]=4 2578 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [1,1,0,0,0,0|2,0,0]=4 2579 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [1,1,0,0,0,0|2,0,0]=4 2580 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [1,1,0,0,0,0|2,0,0]=4 2581 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [1,1,0,0,0,0|2,0,0]=4 2582 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [1,1,0,0,0,0|2,0,0]=4 2583 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [1,1,0,0,0,0|2,0,0]=4 2584 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [1,1,0,0,0,0|2,0,0]=4 2585 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [1,1,0,0,0,0|2,0,0]=4 2586 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [1,1,0,0,0,0|2,0,0]=4 2587 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [1,1,0,0,0,0|2,0,0]=4 2591 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)O 62a_200015260668_100009814561 [1,1,0,0,0,0|1,0,1]=4 2592 B12R1.385 O=CCSc1cc(c(cn1)F)O 62a_100009854642_200015260668 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.385 O=CCSc1cc(c(cn1)F)O 62a_200015260668_100009854642 [1,1,0,0,0,0|2,0,0]=4 2594 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_100012356285_200015260668 [1,1,0,0,0,0|2,0,0]=4 2595 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_200015260668_100012356285 [1,1,0,0,0,0|2,0,0]=4 2596 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [1,1,0,0,0,0|2,0,0]=4 2597 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [1,1,0,0,0,0|2,0,0]=4 2598 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_100012047266_200015260668 [1,1,0,0,0,0|2,0,0]=4 2599 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_200015260668_100012047266 [1,1,0,0,0,0|2,0,0]=4 2600 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [1,1,0,0,0,0|1,0,0]=3 2601 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [1,1,0,0,0,0|1,0,0]=3 2602 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_200015260668 [1,1,0,0,0,0|2,0,0]=4 2603 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_200015260668_100012047281 [1,1,0,0,0,0|2,0,0]=4 2604 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [1,1,0,0,0,0|2,0,0]=4 2605 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [1,1,0,0,0,0|2,0,0]=4 2606 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_100011215976_200015260668 [1,1,0,0,0,0|2,0,0]=4 2607 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_200015260668_100011215976 [1,1,0,0,0,0|2,0,0]=4 2608 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [1,1,0,0,0,0|1,0,0]=3 2609 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [1,1,0,0,0,0|1,0,0]=3 2610 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_100000685389_200015260668 [1,1,0,0,0,0|2,0,0]=4 2611 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_200015260668_100000685389 [1,1,0,0,0,0|2,0,0]=4 2612 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [1,1,0,0,0,0|2,0,0]=4 2613 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [1,1,0,0,0,0|2,0,0]=4 2614 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_100000703953_200015260668 [1,1,0,0,0,0|2,0,0]=4 2615 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_200015260668_100000703953 [1,1,0,0,0,0|2,0,0]=4 2616 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [1,1,0,0,0,0|1,0,0]=3 2617 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [1,1,0,0,0,0|1,0,0]=3 2618 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [1,1,0,0,0,0|1,0,0]=3 2619 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [1,1,0,0,0,0|1,0,0]=3 2620 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [1,1,0,0,0,0|1,0,0]=3 2621 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [1,1,0,0,0,0|1,0,0]=3 2622 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [1,1,0,0,0,0|1,0,0]=3 2623 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [1,1,0,0,0,0|1,0,0]=3 2624 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [1,1,0,0,0,0|0,0,0]=2 2625 B12R1.385 O=CCSc1ccc(c(n1)Br)O 62a_100000725334_200015260668 [1,1,0,0,0,0|2,0,0]=4 2626 B12R1.385 O=CCSc1ccc(c(n1)Br)O 62a_200015260668_100000725334 [1,1,0,0,0,0|2,0,0]=4 2627 B12R1.385 O=CCSc1ccc(c(n1)Cl)O 62a_200015260668_100000721234 [1,1,0,0,0,0|2,0,0]=4 2628 B12R1.385 O=CCSc1ccc(c(n1)F)O 62a_100009819667_200015260668 [1,1,0,0,0,0|2,0,0]=4 2629 B12R1.385 O=CCSc1ccc(c(n1)F)O 62a_200015260668_100009819667 [1,1,0,0,0,0|2,0,0]=4 2630 B12R1.385 O=CCSc1ccc(c(n1)O)F 62a_200015260668_100010729010 [1,1,0,0,0,0|2,0,0]=4 2631 B12R1.385 O=CCSc1cnc(c(c1)Cl)O 62a_100010238531_200015260668 [1,1,0,0,0,0|2,0,0]=4 2632 B12R1.385 O=CCSc1cnc(c(c1)Cl)O 62a_200015260668_100010238531 [1,1,0,0,0,0|2,0,0]=4 2633 B12R1.385 O=CCSc1cnc(c(c1)O)F 62a_100009819871_200015260668 [1,1,0,0,0,0|2,0,0]=4 2634 B12R1.385 O=CCSc1cnc(c(c1)O)F 62a_200015260668_100009819871 [1,1,0,0,0,0|2,0,0]=4 2635 B12R1.385 OCCNc1ccc(c(c1)Br)O 34a_100011534360_100000211926 [1,1,0,0,0,0|1,0,1]=4 2636 B12R1.385 OCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000211926 [1,1,0,0,0,0|1,0,1]=4 2637 B12R1.385 OCCNc1ccc(c(c1)F)O 34a_100011220035_100000211926 [1,1,0,0,0,0|1,0,1]=4 2638 B12R1.385 OCCNc1ccc(c(c1)F)O 7a_100011220035_100000211926 [1,1,0,0,0,0|1,0,1]=4 2639 B12R1.385 OCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000211926 [1,1,0,0,0,0|1,0,1]=4 2640 B12R1.385 OCCNc1ccc(c(c1)O)F 34a_100012017398_100000211926 [1,1,0,0,0,0|1,0,1]=4 2641 B12R1.385 OCCNc1ccc(c(c1)O)F 7a_100012017398_100000211926 [1,1,0,0,0,0|1,0,1]=4 2642 B12R1.385 OCCNc1ccc(c(c1)O)O 34a_100102946323_100000211926 [1,1,0,0,0,0|0,0,1]=3 2643 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100000211926_100012361655 [1,1,0,0,0,0|1,0,1]=4 2644 B12R1.385 OCCSc1ccc(c(c1)Br)O 62a_100012361655_100000211926 [1,1,0,0,0,0|1,0,1]=4 2645 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100000211926_100012360047 [1,1,0,0,0,0|1,0,1]=4 2646 B12R1.385 OCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000211926 [1,1,0,0,0,0|1,0,1]=4 2647 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000185481_100000211926 [1,1,0,0,0,0|1,0,1]=4 2648 B12R1.385 OCCSc1ccc(c(c1)F)O 62a_100000211926_100000185481 [1,1,0,0,0,0|1,0,1]=4 2649 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100000211926_100012356990 [1,1,0,0,0,0|1,0,1]=4 2650 B12R1.385 OCCSc1ccc(c(c1)O)Br 62a_100012356990_100000211926 [1,1,0,0,0,0|1,0,1]=4 2651 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100000211926_100011356854 [1,1,0,0,0,0|1,0,1]=4 2652 B12R1.385 OCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000211926 [1,1,0,0,0,0|1,0,1]=4 2653 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000211926_100000686035 [1,1,0,0,0,0|1,0,1]=4 2654 B12R1.385 OCCSc1ccc(c(c1)O)F 62a_100000686035_100000211926 [1,1,0,0,0,0|1,0,1]=4 2655 B12R1.385 OCCSc1ccc(c(c1)O)O 62a_100000211926_100009813601 [1,1,0,0,0,0|0,0,1]=3 2656 B12R1.385 Oc1ccc(cc1O)CNCF 34a_100000010075_100015361967 [1,1,0,0,0,0|1,0,1]=4 2657 B12R1.385 Oc1ccc(cc1O)NCCF 34a_100102946323_100011217306 [1,1,0,0,0,0|1,0,1]=4 2658 B12R1.385 Oc1ccc(cc1O)SCCF 62a_100011217306_100009813601 [1,1,0,0,0,0|1,0,1]=4 2659 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [1,1,0,0,0,0|1,0,1]=4 2660 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [1,1,0,0,0,0|0,1,1]=4 2661 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,1,0|2,0,0]=4 2662 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,0,0,1,0|2,0,0]=4 2663 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,1,0|2,0,0]=4 2664 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,1,0|2,0,0]=4 2665 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,1,0|2,0,0]=4 2666 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,1,0|2,0,0]=4 2667 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,1,0|2,0,0]=4 2668 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,1,0|2,0,0]=4 2669 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,1,0|2,0,0]=4 2670 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,1,0|2,0,0]=4 2671 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,1,0|2,0,0]=4 2672 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,1,0|2,0,0]=4 2673 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,1,0|2,0,0]=4 2674 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,1,0|2,0,0]=4 2675 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,1,0|2,0,0]=4 2676 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,1,0|2,0,0]=4 2677 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,1,0|2,0,0]=4 2678 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,1,0|2,0,0]=4 2679 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,1,0|2,0,0]=4 2680 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,1,0|2,0,0]=4 2681 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,1,0|2,0,0]=4 2682 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,1,0|2,0,0]=4 2683 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,1,0|2,0,0]=4 2684 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,1,0|2,0,0]=4 2685 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,1,0|2,0,0]=4 2686 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,1,0|2,0,0]=4 2687 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,1,0|2,0,0]=4 2688 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,1,0|2,0,0]=4 2689 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,1,0|2,0,0]=4 2690 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,1,0|2,0,0]=4 2691 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,1,0|2,0,0]=4 2692 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,1,0|2,0,0]=4 2693 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,1,0|2,0,0]=4 2694 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,1,0|2,0,0]=4 2695 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,1,0|2,0,0]=4 2696 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,1,0|2,0,0]=4 2697 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,1,0|2,0,0]=4 2698 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,1,0|2,0,0]=4 2699 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,1,0|1,0,0]=3 2700 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,1,0|1,0,0]=3 2701 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,1,0|1,0,0]=3 2702 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,1,0|1,0,1]=4 2703 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,1,0|1,1,0]=4 2704 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,1,0|1,1,0]=4 2705 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,1,0|2,0,0]=4 2706 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,1,0|2,0,0]=4 2707 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,1,0|2,0,0]=4 2708 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,1,0|1,1,0]=4 2709 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,1,0|1,1,0]=4 2710 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,1,0,0,1,0|2,0,0]=4 2711 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,0,0,1,0|2,0,0]=4 2712 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,1,0,0,1,0|2,0,0]=4 2713 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,1,0,0,1,0|2,0,0]=4 2714 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,1,0,0,1,0|2,0,0]=4 2715 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,1,0,0,1,0|2,0,0]=4 2716 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,1,0,0,1,0|2,0,0]=4 2717 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,1,0|2,0,0]=4 2718 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,1,0|2,0,0]=4 2719 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,1,0|2,0,0]=4 2720 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,1,0|2,0,0]=4 2721 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,1,0|1,1,0]=4 2722 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,1,0|2,0,0]=4 2723 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,0,0,1,0|2,0,0]=4 2724 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,0,0,1,0|2,0,0]=4 2725 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,1,0|2,0,0]=4 2726 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,1,0|2,0,0]=4 2727 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,1,0|2,0,0]=4 2728 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,1,0|2,0,0]=4 2729 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,1,0|2,0,0]=4 2730 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,1,0|2,0,0]=4 2731 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,1,0|2,0,0]=4 2732 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,1,0|2,0,0]=4 2733 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,1,0|2,0,0]=4 2734 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,1,0|2,0,0]=4 2735 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,1,0|2,0,0]=4 2736 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,1,0|2,0,0]=4 2737 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,1,0|2,0,0]=4 2738 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,0,0,1,0|2,0,0]=4 2739 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,0,0,1,0|2,0,0]=4 2740 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,0,0,1,0|1,0,1]=4 2741 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,1,0|1,0,0]=3 2742 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,1,0|1,0,0]=3 2743 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,0,0,1,0|1,0,0]=3 2744 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,1,0|1,0,0]=3 2745 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,1,0|1,1,0]=4 2746 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,1,0,0,1,0|2,0,0]=4 2747 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,1,0,0,1,0|2,0,0]=4 2748 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,1,0,0,1,0|2,0,0]=4 2749 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,0,0,1,0|2,0,0]=4 2750 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,0,0,1,0|2,0,0]=4 2751 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,0,0,1,0|2,0,0]=4 2752 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,0,0,1,0|2,0,0]=4 2753 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,1,0,0,1,0|2,0,0]=4 2754 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,1,0,0,1,0|2,0,0]=4 2755 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,1,0,0,1,0|2,0,0]=4 2756 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,1,0,0,1,0|2,0,0]=4 2757 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,1,0|2,0,0]=4 2758 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,1,0,0,1,0|2,0,0]=4 2759 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,1,0|2,0,0]=4 2760 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,1,0|2,0,0]=4 2761 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,1,0|2,0,0]=4 2762 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,1,0,0,1,0|2,0,0]=4 2763 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,1,0,0,1,0|2,0,0]=4 2764 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,1,0,0,1,0|2,0,0]=4 2765 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,1,0,0,1,0|2,0,0]=4 2766 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,1,0,0,1,0|2,0,0]=4 2767 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,1,0|2,0,0]=4 2768 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,1,0,0,1,0|2,0,0]=4 2769 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,1,0,0,1,0|1,0,0]=3 2770 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,1,0,0,1,0|2,0,0]=4 2771 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,1,0,0,1,0|2,0,0]=4 2772 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,1,0,0,1,0|2,0,0]=4 2773 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,1,0,0,1,0|2,0,0]=4 2774 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,1,0,0,1,0|1,0,0]=3 2775 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,1,0,0,1,0|2,0,0]=4 2776 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,1,0,0,1,0|1,0,0]=3 2777 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,1,0,0,1,0|2,0,0]=4 2778 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,1,0,0,1,0|2,0,0]=4 2779 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,1,0,0,1,0|1,0,0]=3 2780 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [0,1,0,0,1,0|2,0,0]=4 2781 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [0,1,0,0,1,0|1,0,0]=3 2782 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,1,0,0,1,0|2,0,0]=4 2783 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [0,1,0,0,1,0|2,0,0]=4 2784 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [0,1,0,0,1,0|1,0,0]=3 2785 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [0,1,0,0,1,0|2,0,0]=4 2786 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [0,1,0,0,1,0|2,0,0]=4 2787 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [0,1,0,0,1,0|2,0,0]=4 2788 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [0,1,0,0,1,0|2,0,0]=4 2789 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [0,1,0,0,1,0|2,0,0]=4 2790 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [0,1,0,0,1,0|2,0,0]=4 2791 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [0,1,0,0,1,0|1,0,0]=3 2792 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [0,1,0,0,1,0|2,0,0]=4 2793 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,1,0,0,1,0|2,0,0]=4 2794 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,1,0,0,1,0|2,0,0]=4 2795 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [0,1,0,0,1,0|1,0,0]=3 2796 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [0,1,0,0,1,0|2,0,0]=4 2797 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [0,1,0,0,1,0|1,0,0]=3 2798 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [0,1,0,0,1,0|2,0,0]=4 2799 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [0,1,0,0,1,0|1,0,0]=3 2800 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [0,1,0,0,1,0|2,0,0]=4 2801 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [0,1,0,0,1,0|2,0,0]=4 2802 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [0,1,0,0,1,0|2,0,0]=4 2803 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [0,1,0,0,1,0|2,0,0]=4 2804 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [0,1,0,0,1,0|1,0,0]=3 2805 B14R1.42 C=C(C)CNc1ccc(c(c1)OC)O 34a_100000726020_100000748629 [0,1,0,0,0,1|2,0,0]=4 2806 B14R1.42 C=C(C)CSc1ccc(c(c1)CO)O 62a_100000184703_100000211660 [0,1,0,0,0,1|2,0,0]=4 2807 B14R1.42 C=C(C)CSc1ccc(c(c1)CO)O 62a_100000748629_100000184703 [0,1,0,0,0,1|2,0,0]=4 2808 B14R1.42 C=C(C)CSc1ccc(c(c1)OC)O 62a_100000748629_100000694246 [0,1,0,0,0,1|2,0,0]=4 2809 B14R1.42 C=C(F)CNc1ccc(c(c1)OC)O 34a_100000726020_100009893438 [0,1,0,0,0,1|2,0,0]=4 2810 B14R1.42 C=C(F)CSc1ccc(c(c1)CO)O 62a_100000042424_100000184703 [0,1,0,0,0,1|2,0,0]=4 2811 B14R1.42 C=C(F)CSc1ccc(c(c1)CO)O 62a_100000184703_100000042424 [0,1,0,0,0,1|2,0,0]=4 2812 B14R1.42 C=C(F)CSc1ccc(c(c1)OC)O 62a_100000042424_100000694246 [0,1,0,0,0,1|2,0,0]=4 2813 B14R1.42 CC(O)CSc1ccc(c(c1)CO)O 62a_100000184703_100011218427 [0,1,0,0,0,1|1,0,1]=4 2814 B14R1.42 CC(O)CSc1ccc(c(c1)CO)O 62a_100011218427_100000184703 [0,1,0,0,0,1|1,0,1]=4 2815 B14R1.42 CCc1cc(ccc1O)SCC(=O)N 62a_100000747473_100012338938 [0,1,0,0,0,1|2,0,0]=4 2816 B14R1.42 CCc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100012338938 [0,1,0,0,0,1|1,0,1]=4 2817 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 2230a_100000765947_100000747473 [0,1,0,0,0,1|2,0,0]=4 2818 B14R1.42 COc1cc(ccc1Br)NCC(=O)N 34a_100000765947_100000187820 [0,1,0,0,0,1|2,0,0]=4 2819 B14R1.42 COc1cc(ccc1Br)NCC(=O)[O-] 34a_100000765947_100020667443 [0,1,0,0,0,1|1,0,1]=4 2820 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 34a_100011827694_100000187820 [0,1,0,0,0,1|2,0,0]=4 2821 B14R1.42 COc1cc(ccc1Br)OCC(=O)N 7a_100011827694_100000187820 [0,1,0,0,0,1|2,0,0]=4 2822 B14R1.42 COc1cc(ccc1Br)OCC(=O)[O-] 34a_100011827694_100020667443 [0,1,0,0,0,1|1,0,1]=4 2823 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100012353699 [0,1,0,0,0,1|2,0,0]=4 2824 B14R1.42 COc1cc(ccc1Br)SCC(=O)N 62a_100012353699_100000747473 [0,1,0,0,0,1|2,0,0]=4 2825 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100012353699_100020667443 [0,1,0,0,0,1|1,0,1]=4 2826 B14R1.42 COc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100012353699 [0,1,0,0,0,1|1,0,1]=4 2827 B14R1.42 COc1cc(ccc1C)CCC(=O)C 1458a_200000066385_200000210301 [0,1,0,0,0,1|2,0,0]=4 2828 B14R1.42 COc1cc(ccc1C)CCC(=O)[13CH3] 1458a_200000066385_200025704644 [0,1,0,0,0,1|2,0,0]=4 2829 B14R1.42 COc1cc(ccc1C)NCC(=O)N 2230a_100011279678_100000747473 [0,1,0,0,0,1|2,0,0]=4 2830 B14R1.42 COc1cc(ccc1C)NCC(=O)N 34a_100011279678_100000187820 [0,1,0,0,0,1|2,0,0]=4 2831 B14R1.42 COc1cc(ccc1C)NCC(=O)[O-] 34a_100011279678_100020667443 [0,1,0,0,0,1|1,0,1]=4 2832 B14R1.42 COc1cc(ccc1C)OCC(=O)N 34a_100009865632_100000187820 [0,1,0,0,0,1|2,0,0]=4 2833 B14R1.42 COc1cc(ccc1C)OCC(=O)N 7a_100009865632_100000187820 [0,1,0,0,0,1|2,0,0]=4 2834 B14R1.42 COc1cc(ccc1C)OCC(=O)[O-] 34a_100009865632_100020667443 [0,1,0,0,0,1|1,0,1]=4 2835 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100000747473_100011830276 [0,1,0,0,0,1|2,0,0]=4 2836 B14R1.42 COc1cc(ccc1C)SCC(=O)N 62a_100011830276_100000747473 [0,1,0,0,0,1|2,0,0]=4 2837 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100011830276_100020667443 [0,1,0,0,0,1|1,0,1]=4 2838 B14R1.42 COc1cc(ccc1C)SCC(=O)[O-] 62a_100020667443_100011830276 [0,1,0,0,0,1|1,0,1]=4 2839 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 11a_100015204853_100015343762 [0,1,0,0,0,1|2,0,0]=4 2840 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 1626a_100015204853_100015343762 [0,1,0,0,0,1|2,0,0]=4 2841 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 240690a_100015204853_100015343762 [0,1,0,0,0,1|2,0,0]=4 2842 B14R1.42 COc1cc(ccc1Cl)CNC(=O)C 527a_100015204853_100103153847 [0,1,0,0,0,1|2,0,0]=4 2843 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 2230a_100000742311_100000747473 [0,1,0,0,0,1|2,0,0]=4 2844 B14R1.42 COc1cc(ccc1Cl)NCC(=O)N 34a_100000742311_100000187820 [0,1,0,0,0,1|2,0,0]=4 2845 B14R1.42 COc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000742311_100020667443 [0,1,0,0,0,1|1,0,1]=4 2846 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 34a_100012186310_100000187820 [0,1,0,0,0,1|2,0,0]=4 2847 B14R1.42 COc1cc(ccc1Cl)OCC(=O)N 7a_100012186310_100000187820 [0,1,0,0,0,1|2,0,0]=4 2848 B14R1.42 COc1cc(ccc1Cl)OCC(=O)[O-] 34a_100012186310_100020667443 [0,1,0,0,0,1|1,0,1]=4 2849 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100011356853 [0,1,0,0,0,1|2,0,0]=4 2850 B14R1.42 COc1cc(ccc1Cl)SCC(=O)N 62a_100011356853_100000747473 [0,1,0,0,0,1|2,0,0]=4 2851 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100011356853_100020667443 [0,1,0,0,0,1|1,0,1]=4 2852 B14R1.42 COc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100011356853 [0,1,0,0,0,1|1,0,1]=4 2853 B14R1.42 COc1cc(ccc1F)CCC(=O)C 1458a_100009849056_200000210301 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.42 COc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100009849056_200025704644 [0,1,0,0,0,1|2,0,0]=4 2855 B14R1.42 COc1cc(ccc1F)CNC(=O)C 11a_100020626639_100015343762 [0,1,0,0,0,1|2,0,0]=4 2856 B14R1.42 COc1cc(ccc1F)CNC(=O)C 1626a_100020626639_100015343762 [0,1,0,0,0,1|2,0,0]=4 2857 B14R1.42 COc1cc(ccc1F)CNC(=O)C 240690a_100020626639_100015343762 [0,1,0,0,0,1|2,0,0]=4 2858 B14R1.42 COc1cc(ccc1F)CNC(=O)C 527a_100020626639_100103153847 [0,1,0,0,0,1|2,0,0]=4 2859 B14R1.42 COc1cc(ccc1F)NCC(=O)N 2230a_100000701188_100000747473 [0,1,0,0,0,1|2,0,0]=4 2860 B14R1.42 COc1cc(ccc1F)NCC(=O)N 34a_100000701188_100000187820 [0,1,0,0,0,1|2,0,0]=4 2861 B14R1.42 COc1cc(ccc1F)NCC(=O)[O-] 34a_100000701188_100020667443 [0,1,0,0,0,1|1,0,1]=4 2862 B14R1.42 COc1cc(ccc1F)OCC(=O)N 34a_100012001760_100000187820 [0,1,0,0,0,1|2,0,0]=4 2863 B14R1.42 COc1cc(ccc1F)OCC(=O)N 7a_100012001760_100000187820 [0,1,0,0,0,1|2,0,0]=4 2864 B14R1.42 COc1cc(ccc1F)OCC(=O)[O-] 34a_100012001760_100020667443 [0,1,0,0,0,1|1,0,1]=4 2865 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011934186 [0,1,0,0,0,1|2,0,0]=4 2866 B14R1.42 COc1cc(ccc1F)SCC(=O)N 62a_100011934186_100000747473 [0,1,0,0,0,1|2,0,0]=4 2867 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100011934186_100020667443 [0,1,0,0,0,1|1,0,1]=4 2868 B14R1.42 COc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011934186 [0,1,0,0,0,1|1,0,1]=4 2869 B14R1.42 COc1cc(ccc1I)NCC(=O)N 34a_100000746945_100000187820 [0,1,0,0,0,1|2,0,0]=4 2870 B14R1.42 COc1cc(ccc1I)NCC(=O)[O-] 34a_100000746945_100020667443 [0,1,0,0,0,1|1,0,1]=4 2871 B14R1.42 COc1cc(ccc1N)OCC(=O)N 34a_100015326901_100000187820 [0,1,0,0,0,1|2,0,0]=4 2872 B14R1.42 COc1cc(ccc1N)OCC(=O)N 7a_100015326901_100000187820 [0,1,0,0,0,1|2,0,0]=4 2873 B14R1.42 COc1cc(ccc1N)OCC(=O)[O-] 34a_100015326901_100020667443 [0,1,0,0,0,1|1,0,1]=4 2874 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100000747473_100015196925 [0,1,0,0,0,1|2,0,0]=4 2875 B14R1.42 COc1cc(ccc1N)SCC(=O)N 62a_100011279103_100000747473 [0,1,0,0,0,1|2,0,0]=4 2876 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100011279103_100020667443 [0,1,0,0,0,1|1,0,1]=4 2877 B14R1.42 COc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100015196925 [0,1,0,0,0,1|1,0,1]=4 2878 B14R1.42 COc1cc(ccc1O)C=CC(=O)C 1458a_100000182119_200000210301 [0,1,0,0,0,1|1,0,1]=4 2879 B14R1.42 COc1cc(ccc1O)C=CC(=O)[13CH3] 1458a_100000182119_200025704644 [0,1,0,0,0,1|1,0,1]=4 2880 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100000070787_100010741665 [0,1,0,0,0,1|1,0,0]=3 2881 B14R1.42 COc1cc(ccc1O)CCC(=O)C 1458a_100011216321_200000210301 [0,1,0,0,0,1|1,0,0]=3 2882 B14R1.42 COc1cc(ccc1O)CCC(=O)[13CH3] 1458a_100011216321_200025704644 [0,1,0,0,0,1|1,0,0]=3 2883 B14R1.42 COc1cc(ccc1O)CNC(=O)C 11a_100000185554_100015343762 [0,1,0,0,0,1|1,0,0]=3 2884 B14R1.42 COc1cc(ccc1O)CNC(=O)C 240690a_100000185554_100015343762 [0,1,0,0,0,1|1,0,0]=3 2885 B14R1.42 COc1cc(ccc1O)CNC(=O)C 527a_100000185554_100103153847 [0,1,0,0,0,1|1,0,0]=3 2886 B14R1.42 COc1cc(ccc1O)NCC(=O)N 34a_100000726020_100000187820 [0,1,0,0,0,1|1,0,0]=3 2887 B14R1.42 COc1cc(ccc1O)NCC(=O)[O-] 34a_100000726020_100020667443 [0,1,0,0,0,1|0,0,1]=3 2888 B14R1.42 COc1cc(ccc1O)NCC(C)O 34a_100000726020_100011218427 [0,1,0,0,0,1|1,0,1]=4 2889 B14R1.42 COc1cc(ccc1O)NC[C@@H](C)O 34a_100000726020_100009817552 [0,1,0,0,0,1|1,0,1]=4 2890 B14R1.42 COc1cc(ccc1O)NC[N+](=O)[O-] 34a_100000726020_100000761209 [0,1,0,0,0,1|1,0,1]=4 2891 B14R1.42 COc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000694246 [0,1,0,0,0,1|1,0,0]=3 2892 B14R1.42 COc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000694246 [0,1,0,0,0,1|0,0,1]=3 2893 B14R1.42 COc1cc(ccc1O)SCC(C)O 62a_100011218427_100000694246 [0,1,0,0,0,1|1,0,1]=4 2894 B14R1.42 COc1cc(ccc1O)SC[C@@H](C)O 62a_100009817552_100000694246 [0,1,0,0,0,1|1,0,1]=4 2895 B14R1.42 COc1nc(ccc1O)SCC(=O)N 62a_100000747473_100010893133 [0,1,0,0,0,1|2,0,0]=4 2896 B14R1.42 COc1nc(ccc1O)SCC(=O)[O-] 62a_100020667443_100010893133 [0,1,0,0,0,1|1,0,1]=4 2897 B14R1.42 C[C@@H](O)CSc1ccc(c(c1)CO)O 62a_100000184703_100009817552 [0,1,0,0,0,1|1,0,1]=4 2898 B14R1.42 C[C@@H](O)CSc1ccc(c(c1)CO)O 62a_100009817552_100000184703 [0,1,0,0,0,1|1,0,1]=4 2899 B14R1.42 Cc1ccc(cc1CO)OCC(=O)N 34a_100009878257_100000187820 [0,1,0,0,0,1|2,0,0]=4 2900 B14R1.42 Cc1ccc(cc1CO)OCC(=O)N 7a_100009878257_100000187820 [0,1,0,0,0,1|2,0,0]=4 2901 B14R1.42 Cc1ccc(cc1CO)OCC(=O)[O-] 34a_100009878257_100020667443 [0,1,0,0,0,1|1,0,1]=4 2902 B14R1.42 Cc1ccc(cc1CO)SCC(=O)N 62a_100000700630_100000747473 [0,1,0,0,0,1|2,0,0]=4 2903 B14R1.42 Cc1ccc(cc1CO)SCC(=O)N 62a_100000747473_100000700630 [0,1,0,0,0,1|2,0,0]=4 2904 B14R1.42 Cc1ccc(cc1CO)SCC(=O)[O-] 62a_100000700630_100020667443 [0,1,0,0,0,1|1,0,1]=4 2905 B14R1.42 Cc1ccc(cc1CO)SCC(=O)[O-] 62a_100020667443_100000700630 [0,1,0,0,0,1|1,0,1]=4 2906 B14R1.42 N#Cc1cc(ccc1O)NCC(=O)N 34a_100011249283_100000187820 [0,1,0,0,0,1|2,0,0]=4 2907 B14R1.42 N#Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011249283_100020667443 [0,1,0,0,0,1|1,0,1]=4 2908 B14R1.42 N#Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000687585 [0,1,0,0,0,1|2,0,0]=4 2909 B14R1.42 N#Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000687585 [0,1,0,0,0,1|1,0,1]=4 2910 B14R1.42 NC(=O)CNc1ccc(c(c1)CO)Br 2230a_100012347228_100000747473 [0,1,0,0,0,1|2,0,0]=4 2911 B14R1.42 NC(=O)CNc1ccc(c(c1)CO)Br 34a_100012347228_100000187820 [0,1,0,0,0,1|2,0,0]=4 2912 B14R1.42 NC(=O)CNc1ccc(c(c1)CO)Cl 2230a_100011273577_100000747473 [0,1,0,0,0,1|2,0,0]=4 2913 B14R1.42 NC(=O)CNc1ccc(c(c1)CO)Cl 34a_100011273577_100000187820 [0,1,0,0,0,1|2,0,0]=4 2914 B14R1.42 NC(=O)CNc1ccc(c(c1)CO)F 34a_100011218011_100000187820 [0,1,0,0,0,1|2,0,0]=4 2915 B14R1.42 NC(=O)COc1ccc(c(c1)CO)Br 34a_100012351483_100000187820 [0,1,0,0,0,1|2,0,0]=4 2916 B14R1.42 NC(=O)COc1ccc(c(c1)CO)Br 7a_100012351483_100000187820 [0,1,0,0,0,1|2,0,0]=4 2917 B14R1.42 NC(=O)COc1ccc(c(c1)CO)Cl 34a_100000091669_100000187820 [0,1,0,0,0,1|2,0,0]=4 2918 B14R1.42 NC(=O)COc1ccc(c(c1)CO)Cl 7a_100000091669_100000187820 [0,1,0,0,0,1|2,0,0]=4 2919 B14R1.42 NC(=O)CSc1ccc(c(c1)C=O)O 62a_100000747473_100000186750 [0,1,0,0,0,1|1,0,1]=4 2920 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)Br 62a_100000747473_100012359683 [0,1,0,0,0,1|2,0,0]=4 2921 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)Br 62a_100012359683_100000747473 [0,1,0,0,0,1|2,0,0]=4 2922 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)Cl 62a_100000747473_100010128486 [0,1,0,0,0,1|2,0,0]=4 2923 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)Cl 62a_100010128486_100000747473 [0,1,0,0,0,1|2,0,0]=4 2924 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)F 62a_100000246282_100000747473 [0,1,0,0,0,1|2,0,0]=4 2925 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)F 62a_100000747473_100000246282 [0,1,0,0,0,1|2,0,0]=4 2926 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)N 62a_100000747473_100012353972 [0,1,0,0,0,1|2,0,0]=4 2927 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)N 62a_100012353972_100000747473 [0,1,0,0,0,1|2,0,0]=4 2928 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)O 62a_100000184703_100000747473 [0,1,0,0,0,1|1,0,0]=3 2929 B14R1.42 NC(=O)CSc1ccc(c(c1)CO)O 62a_100000747473_100000184703 [0,1,0,0,0,1|1,0,0]=3 2930 B14R1.42 NC(=O)CSc1cnc(c(c1)CO)O 62a_100000747473_100010065268 [0,1,0,0,0,1|2,0,0]=4 2931 B14R1.42 NC(=O)CSc1cnc(c(c1)CO)O 62a_100010065268_100000747473 [0,1,0,0,0,1|2,0,0]=4 2932 B14R1.42 NCc1cc(ccc1O)SCC(=O)N 62a_100000730032_100000747473 [0,1,0,0,0,1|2,0,0]=4 2933 B14R1.42 NCc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000730032 [0,1,0,0,0,1|2,0,0]=4 2934 B14R1.42 NCc1cc(ccc1O)SCC(=O)[O-] 62a_100000730032_100020667443 [0,1,0,0,0,1|1,0,1]=4 2935 B14R1.42 NCc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000730032 [0,1,0,0,0,1|1,0,1]=4 2936 B14R1.42 Nc1ccc(cc1CO)SCC(=O)[O-] 62a_100012353972_100020667443 [0,1,0,0,0,1|1,0,1]=4 2937 B14R1.42 Nc1ccc(cc1CO)SCC(=O)[O-] 62a_100020667443_100012353972 [0,1,0,0,0,1|1,0,1]=4 2938 B14R1.42 O=C([O-])CNc1ccc(c(c1)CO)Br 34a_100012347228_100020667443 [0,1,0,0,0,1|1,0,1]=4 2939 B14R1.42 O=C([O-])CNc1ccc(c(c1)CO)Cl 34a_100011273577_100020667443 [0,1,0,0,0,1|1,0,1]=4 2940 B14R1.42 O=C([O-])CNc1ccc(c(c1)CO)F 34a_100011218011_100020667443 [0,1,0,0,0,1|1,0,1]=4 2941 B14R1.42 O=C([O-])COc1ccc(c(c1)CO)Br 34a_100012351483_100020667443 [0,1,0,0,0,1|1,0,1]=4 2942 B14R1.42 O=C([O-])COc1ccc(c(c1)CO)Cl 34a_100000091669_100020667443 [0,1,0,0,0,1|1,0,1]=4 2943 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)Br 62a_100012359683_100020667443 [0,1,0,0,0,1|1,0,1]=4 2944 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)Br 62a_100020667443_100012359683 [0,1,0,0,0,1|1,0,1]=4 2945 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)Cl 62a_100010128486_100020667443 [0,1,0,0,0,1|1,0,1]=4 2946 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)Cl 62a_100020667443_100010128486 [0,1,0,0,0,1|1,0,1]=4 2947 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)F 62a_100000246282_100020667443 [0,1,0,0,0,1|1,0,1]=4 2948 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)F 62a_100020667443_100000246282 [0,1,0,0,0,1|1,0,1]=4 2949 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)O 62a_100000184703_100020667443 [0,1,0,0,0,1|0,0,1]=3 2950 B14R1.42 O=C([O-])CSc1ccc(c(c1)CO)O 62a_100020667443_100000184703 [0,1,0,0,0,1|0,0,1]=3 2951 B14R1.42 O=C([O-])CSc1cnc(c(c1)CO)O 62a_100010065268_100020667443 [0,1,0,0,0,1|1,0,1]=4 2952 B14R1.42 O=C([O-])CSc1cnc(c(c1)CO)O 62a_100020667443_100010065268 [0,1,0,0,0,1|1,0,1]=4 2953 B14R1.42 O=Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186750 [0,1,0,0,0,1|0,0,2]=4 2954 B14R1.42 O=[N+]([O-])CSc1ccc(c(c1)CO)O 62a_100000184703_100000761209 [0,1,0,0,0,1|1,0,1]=4 2955 B14R1.684 CC(C)(O)CNc1ccc(c(c1)O)O 34a_100102946323_100000764493 [0,1,0,0,0,1|1,0,1]=4 2956 B14R1.684 CC(C)(O)CSc1ccc(c(c1)O)O 62a_100000764493_100009813601 [0,1,0,0,0,1|1,0,1]=4 2957 B14R1.684 NS(=O)(=O)CSc1ccc(c(c1)O)O 62a_100000741382_100009813601 [0,1,0,0,0,1|1,0,1]=4 2958 B14R1.684 O=S(=O)([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100009817235 [0,1,0,0,0,1|1,0,1]=4 2959 B14R1.684 O=S(=O)([O-])CSc1ccc(c(c1)O)O 62a_100009817235_100009813601 [0,1,0,0,0,1|1,0,1]=4 2960 B14R1.685 C=C(C)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000748629 [0,1,0,0,0,1|2,0,0]=4 2961 B14R1.685 C=C(F)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100009893438 [0,1,0,0,0,1|2,0,0]=4 2962 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000070787_200010170092 [0,1,0,0,0,1|2,0,0]=4 2963 B14R1.685 CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000070787_100000183813 [0,1,0,0,0,1|1,0,0]=3 2964 B14R1.685 CC(O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011218427 [0,1,0,0,0,1|1,0,1]=4 2965 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)N 1458a_100000685612_100000187820 [0,1,0,0,0,1|2,0,0]=4 2966 B14R1.685 Cc1cc(ccc1O)C(=O)CC(=O)[O-] 1458a_100000685612_100020667443 [0,1,0,0,0,1|1,0,1]=4 2967 B14R1.685 Cc1ccc(cc1O)C(=O)CC(=O)N 1458a_100000233767_100000187820 [0,1,0,0,0,1|2,0,0]=4 2968 B14R1.685 Cc1ccc(cc1O)C(=O)CC(=O)[O-] 1458a_100000233767_100020667443 [0,1,0,0,0,1|1,0,1]=4 2969 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000187820 [0,1,0,0,0,1|2,0,0]=4 2970 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000187820 [0,1,0,0,0,1|2,0,0]=4 2971 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000187820 [0,1,0,0,0,1|2,0,0]=4 2972 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000187820 [0,1,0,0,0,1|2,0,0]=4 2973 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000187820 [0,1,0,0,0,1|2,0,0]=4 2974 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000187820 [0,1,0,0,0,1|2,0,0]=4 2975 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000187820 [0,1,0,0,0,1|2,0,0]=4 2976 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000187820 [0,1,0,0,0,1|2,0,0]=4 2977 B14R1.685 NC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000187820 [0,1,0,0,0,1|1,0,0]=3 2978 B14R1.685 O=C(C[N+](=O)[O-])c1ccc(c(c1)O)O 1458a_100000212155_100000761209 [0,1,0,0,0,1|1,0,1]=4 2979 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100020667443 [0,1,0,0,0,1|1,0,1]=4 2980 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100020667443 [0,1,0,0,0,1|1,0,1]=4 2981 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100020667443 [0,1,0,0,0,1|1,0,1]=4 2982 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100020667443 [0,1,0,0,0,1|1,0,1]=4 2983 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100020667443 [0,1,0,0,0,1|1,0,1]=4 2984 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100020667443 [0,1,0,0,0,1|1,0,1]=4 2985 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100020667443 [0,1,0,0,0,1|1,0,1]=4 2986 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100020667443 [0,1,0,0,0,1|1,0,1]=4 2987 B14R1.685 O=C([O-])CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100020667443 [0,1,0,0,0,1|0,0,1]=3 2988 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000179758 [0,1,0,0,0,1|2,0,0]=4 2989 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000179758 [0,1,0,0,0,1|2,0,0]=4 2990 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000179758 [0,1,0,0,0,1|2,0,0]=4 2991 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000179758 [0,1,0,0,0,1|2,0,0]=4 2992 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100009814033_100012361655 [0,1,0,0,0,1|2,0,0]=4 2993 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100009814033 [0,1,0,0,0,1|2,0,0]=4 2994 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)C)O 62a_100009814033_100000186361 [0,1,0,0,0,1|2,0,0]=4 2995 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100009814033_100012360047 [0,1,0,0,0,1|2,0,0]=4 2996 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100009814033 [0,1,0,0,0,1|2,0,0]=4 2997 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100000185481_100009814033 [0,1,0,0,0,1|2,0,0]=4 2998 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)F)O 62a_100009814033_100000185481 [0,1,0,0,0,1|2,0,0]=4 2999 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100000752626_100009814033 [0,1,0,0,0,1|2,0,0]=4 3000 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)N)O 62a_100009814033_100000752626 [0,1,0,0,0,1|2,0,0]=4 3001 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Br 62a_100009814033_100012356990 [0,1,0,0,0,1|2,0,0]=4 3002 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100009814033 [0,1,0,0,0,1|2,0,0]=4 3003 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)C 62a_100000685420_100009814033 [0,1,0,0,0,1|2,0,0]=4 3004 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)C 62a_100009814033_100000685420 [0,1,0,0,0,1|2,0,0]=4 3005 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Cl 62a_100009814033_100011356854 [0,1,0,0,0,1|2,0,0]=4 3006 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100009814033 [0,1,0,0,0,1|2,0,0]=4 3007 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)F 62a_100000686035_100009814033 [0,1,0,0,0,1|2,0,0]=4 3008 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)F 62a_100009814033_100000686035 [0,1,0,0,0,1|2,0,0]=4 3009 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)N 62a_100000739049_100009814033 [0,1,0,0,0,1|2,0,0]=4 3010 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)N 62a_100009814033_100000739049 [0,1,0,0,0,1|2,0,0]=4 3011 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100009814033_100009813601 [0,1,0,0,0,1|1,0,0]=3 3012 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [0,1,0,0,0,1|1,0,0]=3 3013 B14R1.686 CC(=O)N(C)Cc1ccc(c(c1)O)O 240690a_100020587154_100015343762 [0,1,0,0,0,1|1,0,0]=3 3014 B14R1.686 CC(Nc1ccc(c(c1)Br)O)C(=O)N 34a_100011534360_100000702099 [0,1,0,0,0,1|2,0,0]=4 3015 B14R1.686 CC(Nc1ccc(c(c1)Cl)O)C(=O)N 34a_100000744943_100000702099 [0,1,0,0,0,1|2,0,0]=4 3016 B14R1.686 CC(Nc1ccc(c(c1)F)O)C(=O)N 34a_100011220035_100000702099 [0,1,0,0,0,1|2,0,0]=4 3017 B14R1.686 CC(Nc1ccc(c(c1)F)O)C(=O)N 7a_100011220035_100000702099 [0,1,0,0,0,1|2,0,0]=4 3018 B14R1.686 CC(Nc1ccc(c(c1)O)Cl)C(=O)N 34a_100011934209_100000702099 [0,1,0,0,0,1|2,0,0]=4 3019 B14R1.686 CC(Nc1ccc(c(c1)O)F)C(=O)N 34a_100012017398_100000702099 [0,1,0,0,0,1|2,0,0]=4 3020 B14R1.686 CC(Nc1ccc(c(c1)O)F)C(=O)N 7a_100012017398_100000702099 [0,1,0,0,0,1|2,0,0]=4 3021 B14R1.686 CC(Nc1ccc(c(c1)O)O)C(=O)N 34a_100102946323_100000702099 [0,1,0,0,0,1|1,0,0]=3 3022 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100000702099_100012361655 [0,1,0,0,0,1|2,0,0]=4 3023 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100012361655_100000702099 [0,1,0,0,0,1|2,0,0]=4 3024 B14R1.686 CC(Sc1ccc(c(c1)Cl)O)C(=O)N 62a_100000702099_100012360047 [0,1,0,0,0,1|2,0,0]=4 3025 B14R1.686 CC(Sc1ccc(c(c1)Cl)O)C(=O)N 62a_100012360047_100000702099 [0,1,0,0,0,1|2,0,0]=4 3026 B14R1.686 CC(Sc1ccc(c(c1)F)O)C(=O)N 62a_100000185481_100000702099 [0,1,0,0,0,1|2,0,0]=4 3027 B14R1.686 CC(Sc1ccc(c(c1)F)O)C(=O)N 62a_100000702099_100000185481 [0,1,0,0,0,1|2,0,0]=4 3028 B14R1.686 CC(Sc1ccc(c(c1)N)O)C(=O)N 62a_100000702099_100000752626 [0,1,0,0,0,1|2,0,0]=4 3029 B14R1.686 CC(Sc1ccc(c(c1)N)O)C(=O)N 62a_100000752626_100000702099 [0,1,0,0,0,1|2,0,0]=4 3030 B14R1.686 CC(Sc1ccc(c(c1)O)Br)C(=O)N 62a_100000702099_100012356990 [0,1,0,0,0,1|2,0,0]=4 3031 B14R1.686 CC(Sc1ccc(c(c1)O)Br)C(=O)N 62a_100012356990_100000702099 [0,1,0,0,0,1|2,0,0]=4 3032 B14R1.686 CC(Sc1ccc(c(c1)O)Cl)C(=O)N 62a_100000702099_100011356854 [0,1,0,0,0,1|2,0,0]=4 3033 B14R1.686 CC(Sc1ccc(c(c1)O)Cl)C(=O)N 62a_100011356854_100000702099 [0,1,0,0,0,1|2,0,0]=4 3034 B14R1.686 CC(Sc1ccc(c(c1)O)F)C(=O)N 62a_100000686035_100000702099 [0,1,0,0,0,1|2,0,0]=4 3035 B14R1.686 CC(Sc1ccc(c(c1)O)F)C(=O)N 62a_100000702099_100000686035 [0,1,0,0,0,1|2,0,0]=4 3036 B14R1.686 CC(Sc1ccc(c(c1)O)N)C(=O)N 62a_100000702099_100000739049 [0,1,0,0,0,1|2,0,0]=4 3037 B14R1.686 CC(Sc1ccc(c(c1)O)N)C(=O)N 62a_100000739049_100000702099 [0,1,0,0,0,1|2,0,0]=4 3038 B14R1.686 CC(Sc1ccc(c(c1)O)O)C(=O)N 62a_100000702099_100009813601 [0,1,0,0,0,1|1,0,0]=3 3039 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 34a_100011218179_100000702099 [0,1,0,0,0,1|2,0,0]=4 3040 B14R1.686 Cc1cc(ccc1O)NC(C)C(=O)N 7a_100011218179_100000702099 [0,1,0,0,0,1|2,0,0]=4 3041 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 34a_100011218179_100009813875 [0,1,0,0,0,1|2,0,0]=4 3042 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)N 7a_100011218179_100009813875 [0,1,0,0,0,1|2,0,0]=4 3043 B14R1.686 Cc1cc(ccc1O)NC(F)C(=O)[O-] 34a_100011218179_100020610796 [0,1,0,0,0,1|1,0,1]=4 3044 B14R1.686 Cc1cc(ccc1O)SC(C)C(=O)N 62a_100000702099_100000186361 [0,1,0,0,0,1|2,0,0]=4 3045 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)N 62a_100009813875_100000186361 [0,1,0,0,0,1|2,0,0]=4 3046 B14R1.686 Cc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000186361 [0,1,0,0,0,1|1,0,1]=4 3047 B14R1.686 Cc1ccc(cc1O)NC(C)C(=O)N 34a_100000759471_100000702099 [0,1,0,0,0,1|2,0,0]=4 3048 B14R1.686 Cc1ccc(cc1O)NC(C)C(=O)N 7a_100000759471_100000702099 [0,1,0,0,0,1|2,0,0]=4 3049 B14R1.686 Cc1ccc(cc1O)NC(F)C(=O)N 34a_100000759471_100009813875 [0,1,0,0,0,1|2,0,0]=4 3050 B14R1.686 Cc1ccc(cc1O)NC(F)C(=O)N 7a_100000759471_100009813875 [0,1,0,0,0,1|2,0,0]=4 3051 B14R1.686 Cc1ccc(cc1O)NC(F)C(=O)[O-] 34a_100000759471_100020610796 [0,1,0,0,0,1|1,0,1]=4 3052 B14R1.686 Cc1ccc(cc1O)SC(C)C(=O)N 62a_100000685420_100000702099 [0,1,0,0,0,1|2,0,0]=4 3053 B14R1.686 Cc1ccc(cc1O)SC(C)C(=O)N 62a_100000702099_100000685420 [0,1,0,0,0,1|2,0,0]=4 3054 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)N 62a_100000685420_100009813875 [0,1,0,0,0,1|2,0,0]=4 3055 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)N 62a_100009813875_100000685420 [0,1,0,0,0,1|2,0,0]=4 3056 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100000685420_100020610796 [0,1,0,0,0,1|1,0,1]=4 3057 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100020610796_100000685420 [0,1,0,0,0,1|1,0,1]=4 3058 B14R1.686 NC(=O)C(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100011215815 [0,1,0,0,0,1|1,0,1]=4 3059 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100009813875 [0,1,0,0,0,1|2,0,0]=4 3060 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Cl)O 34a_100000744943_100009813875 [0,1,0,0,0,1|2,0,0]=4 3061 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)O 34a_100011220035_100009813875 [0,1,0,0,0,1|2,0,0]=4 3062 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)F)O 7a_100011220035_100009813875 [0,1,0,0,0,1|2,0,0]=4 3063 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)Cl 34a_100011934209_100009813875 [0,1,0,0,0,1|2,0,0]=4 3064 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)F 34a_100012017398_100009813875 [0,1,0,0,0,1|2,0,0]=4 3065 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)F 7a_100012017398_100009813875 [0,1,0,0,0,1|2,0,0]=4 3066 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100009813875 [0,1,0,0,0,1|1,0,0]=3 3067 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100009813875_100012361655 [0,1,0,0,0,1|2,0,0]=4 3068 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100009813875 [0,1,0,0,0,1|2,0,0]=4 3069 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Cl)O 62a_100009813875_100012360047 [0,1,0,0,0,1|2,0,0]=4 3070 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Cl)O 62a_100012360047_100009813875 [0,1,0,0,0,1|2,0,0]=4 3071 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)F)O 62a_100000185481_100009813875 [0,1,0,0,0,1|2,0,0]=4 3072 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)F)O 62a_100009813875_100000185481 [0,1,0,0,0,1|2,0,0]=4 3073 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)N)O 62a_100000752626_100009813875 [0,1,0,0,0,1|2,0,0]=4 3074 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)N)O 62a_100009813875_100000752626 [0,1,0,0,0,1|2,0,0]=4 3075 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Br 62a_100009813875_100012356990 [0,1,0,0,0,1|2,0,0]=4 3076 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Br 62a_100012356990_100009813875 [0,1,0,0,0,1|2,0,0]=4 3077 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Cl 62a_100009813875_100011356854 [0,1,0,0,0,1|2,0,0]=4 3078 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Cl 62a_100011356854_100009813875 [0,1,0,0,0,1|2,0,0]=4 3079 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)F 62a_100000686035_100009813875 [0,1,0,0,0,1|2,0,0]=4 3080 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)F 62a_100009813875_100000686035 [0,1,0,0,0,1|2,0,0]=4 3081 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)N 62a_100000739049_100009813875 [0,1,0,0,0,1|2,0,0]=4 3082 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)N 62a_100009813875_100000739049 [0,1,0,0,0,1|2,0,0]=4 3083 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)O 62a_100009813875_100009813601 [0,1,0,0,0,1|1,0,0]=3 3084 B14R1.686 Nc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100000752626_100020610796 [0,1,0,0,0,1|1,0,1]=4 3085 B14R1.686 Nc1cc(ccc1O)SC(F)C(=O)[O-] 62a_100020610796_100000752626 [0,1,0,0,0,1|1,0,1]=4 3086 B14R1.686 Nc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100000739049_100020610796 [0,1,0,0,0,1|1,0,1]=4 3087 B14R1.686 Nc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100020610796_100000739049 [0,1,0,0,0,1|1,0,1]=4 3088 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100020610796 [0,1,0,0,0,1|1,0,1]=4 3089 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Cl)O 34a_100000744943_100020610796 [0,1,0,0,0,1|1,0,1]=4 3090 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)F)O 34a_100011220035_100020610796 [0,1,0,0,0,1|1,0,1]=4 3091 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)Cl 34a_100011934209_100020610796 [0,1,0,0,0,1|1,0,1]=4 3092 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)F 34a_100012017398_100020610796 [0,1,0,0,0,1|1,0,1]=4 3093 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100020610796 [0,1,0,0,0,1|0,0,1]=3 3094 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100020610796 [0,1,0,0,0,1|1,0,1]=4 3095 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100020610796_100012361655 [0,1,0,0,0,1|1,0,1]=4 3096 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Cl)O 62a_100012360047_100020610796 [0,1,0,0,0,1|1,0,1]=4 3097 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Cl)O 62a_100020610796_100012360047 [0,1,0,0,0,1|1,0,1]=4 3098 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)F)O 62a_100000185481_100020610796 [0,1,0,0,0,1|1,0,1]=4 3099 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)F)O 62a_100020610796_100000185481 [0,1,0,0,0,1|1,0,1]=4 3100 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Br 62a_100012356990_100020610796 [0,1,0,0,0,1|1,0,1]=4 3101 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Br 62a_100020610796_100012356990 [0,1,0,0,0,1|1,0,1]=4 3102 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Cl 62a_100011356854_100020610796 [0,1,0,0,0,1|1,0,1]=4 3103 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Cl 62a_100020610796_100011356854 [0,1,0,0,0,1|1,0,1]=4 3104 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)F 62a_100000686035_100020610796 [0,1,0,0,0,1|1,0,1]=4 3105 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)F 62a_100020610796_100000686035 [0,1,0,0,0,1|1,0,1]=4 3106 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)O 62a_100020610796_100009813601 [0,1,0,0,0,1|0,0,1]=3 3107 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [0,1,0,0,0,1|1,0,0]=3 3108 B14R1.833 C#CC(=O)CCc1ccc(c(c1)O)O 1458a_100000211873_200010393615 [0,1,0,0,0,1|1,0,0]=3 3109 B14R1.833 C=C(C#N)CNc1ccc(c(c1)O)O 34a_100102946323_100000694840 [0,1,0,0,0,1|2,0,0]=4 3110 B14R1.833 C=CC(=O)CCc1ccc(c(c1)O)O 1458a_100000185746_200010393615 [0,1,0,0,0,1|1,0,0]=3 3111 B14R1.833 C=CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_200121576911 [0,1,0,0,0,1|2,0,0]=4 3112 B14R1.833 C=CC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_200121576911 [0,1,0,0,0,1|2,0,0]=4 3113 B14R1.833 C=CC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_200121576911 [0,1,0,0,0,1|2,0,0]=4 3114 B14R1.833 C=CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_200121576911 [0,1,0,0,0,1|1,0,0]=3 3115 B14R1.833 C=CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100000730141 [0,1,0,0,0,1|1,0,1]=4 3116 B14R1.833 C=CC(O)CSc1ccc(c(c1)O)O 62a_100000730141_100009813601 [0,1,0,0,0,1|1,0,1]=4 3117 B14R1.833 CC(CO)NCc1ccc(c(c1)O)O 34a_100000010075_100012180447 [0,1,0,0,0,1|1,0,1]=4 3118 B14R1.833 CCC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_100000210202 [0,1,0,0,0,1|1,0,0]=3 3119 B14R1.833 CCC(=O)CCc1ccc(c(c1)O)O 1458a_100000210414_200010393615 [0,1,0,0,0,1|1,0,0]=3 3120 B14R1.833 CCC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000747405 [0,1,0,0,0,1|2,0,0]=4 3121 B14R1.833 CCC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000747405 [0,1,0,0,0,1|2,0,0]=4 3122 B14R1.833 CCC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000747405 [0,1,0,0,0,1|2,0,0]=4 3123 B14R1.833 CCC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000747405 [0,1,0,0,0,1|2,0,0]=4 3124 B14R1.833 CCC(=O)CSc1ccc(c(c1)Br)O 62a_100000747405_100012361655 [0,1,0,0,0,1|2,0,0]=4 3125 B14R1.833 CCC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747405 [0,1,0,0,0,1|2,0,0]=4 3126 B14R1.833 CCC(=O)CSc1ccc(c(c1)C)O 62a_100000747405_100000186361 [0,1,0,0,0,1|2,0,0]=4 3127 B14R1.833 CCC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747405_100012360047 [0,1,0,0,0,1|2,0,0]=4 3128 B14R1.833 CCC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747405 [0,1,0,0,0,1|2,0,0]=4 3129 B14R1.833 CCC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747405 [0,1,0,0,0,1|2,0,0]=4 3130 B14R1.833 CCC(=O)CSc1ccc(c(c1)F)O 62a_100000747405_100000185481 [0,1,0,0,0,1|2,0,0]=4 3131 B14R1.833 CCC(=O)CSc1ccc(c(c1)N)O 62a_100000747405_100000752626 [0,1,0,0,0,1|2,0,0]=4 3132 B14R1.833 CCC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747405 [0,1,0,0,0,1|2,0,0]=4 3133 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)Br 62a_100000747405_100012356990 [0,1,0,0,0,1|2,0,0]=4 3134 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747405 [0,1,0,0,0,1|2,0,0]=4 3135 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000747405 [0,1,0,0,0,1|2,0,0]=4 3136 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)C 62a_100000747405_100000685420 [0,1,0,0,0,1|2,0,0]=4 3137 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747405_100011356854 [0,1,0,0,0,1|2,0,0]=4 3138 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747405 [0,1,0,0,0,1|2,0,0]=4 3139 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747405 [0,1,0,0,0,1|2,0,0]=4 3140 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)F 62a_100000747405_100000686035 [0,1,0,0,0,1|2,0,0]=4 3141 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747405 [0,1,0,0,0,1|2,0,0]=4 3142 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)N 62a_100000747405_100000739049 [0,1,0,0,0,1|2,0,0]=4 3143 B14R1.833 CCC(=O)CSc1ccc(c(c1)O)O 62a_100000747405_100009813601 [0,1,0,0,0,1|1,0,0]=3 3144 B14R1.833 CCC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100000210414 [0,1,0,0,0,1|2,0,0]=4 3145 B14R1.833 CCC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100000210414 [0,1,0,0,0,1|2,0,0]=4 3146 B14R1.833 CCC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100000210414 [0,1,0,0,0,1|2,0,0]=4 3147 B14R1.833 CCC(=O)NCc1ccc(c(c1)O)Cl 527a_100020636435_100000210414 [0,1,0,0,0,1|2,0,0]=4 3148 B14R1.833 CCC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_100000210414 [0,1,0,0,0,1|2,0,0]=4 3149 B14R1.833 CCC(=O)NCc1ccc(c(c1)O)F 527a_100160469508_100000210414 [0,1,0,0,0,1|2,0,0]=4 3150 B14R1.833 CCC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210414 [0,1,0,0,0,1|1,0,0]=3 3151 B14R1.833 CCC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218378 [0,1,0,0,0,1|1,0,1]=4 3152 B14R1.833 CCC(O)CSc1ccc(c(c1)O)O 62a_100011218378_100009813601 [0,1,0,0,0,1|1,0,1]=4 3153 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100102657272_100011195073 [0,1,0,0,0,1|1,0,1]=4 3154 B14R1.833 CNC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000183359 [0,1,0,0,0,1|2,0,0]=4 3155 B14R1.833 CNC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000183359 [0,1,0,0,0,1|2,0,0]=4 3156 B14R1.833 CNC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000183359 [0,1,0,0,0,1|2,0,0]=4 3157 B14R1.833 CNC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000183359 [0,1,0,0,0,1|2,0,0]=4 3158 B14R1.833 CNC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000183359 [0,1,0,0,0,1|2,0,0]=4 3159 B14R1.833 CNC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000183359 [0,1,0,0,0,1|2,0,0]=4 3160 B14R1.833 CNC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000183359 [0,1,0,0,0,1|2,0,0]=4 3161 B14R1.833 CNC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000183359 [0,1,0,0,0,1|2,0,0]=4 3162 B14R1.833 CNC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000183359 [0,1,0,0,0,1|2,0,0]=4 3163 B14R1.833 CNC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000183359 [0,1,0,0,0,1|2,0,0]=4 3164 B14R1.833 CNC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000183359 [0,1,0,0,0,1|2,0,0]=4 3165 B14R1.833 CNC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000183359 [0,1,0,0,0,1|1,0,0]=3 3166 B14R1.833 CNC(=O)COc1ccc(c(c1)N)O 271570a_203496583355_200010369465 [0,1,0,0,0,1|2,0,0]=4 3167 B14R1.833 CNC(=O)CSc1ccc(c(c1)Br)O 62a_100000183359_100012361655 [0,1,0,0,0,1|2,0,0]=4 3168 B14R1.833 CNC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000183359 [0,1,0,0,0,1|2,0,0]=4 3169 B14R1.833 CNC(=O)CSc1ccc(c(c1)C)O 62a_100000183359_100000186361 [0,1,0,0,0,1|2,0,0]=4 3170 B14R1.833 CNC(=O)CSc1ccc(c(c1)Cl)O 62a_100000183359_100012360047 [0,1,0,0,0,1|2,0,0]=4 3171 B14R1.833 CNC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000183359 [0,1,0,0,0,1|2,0,0]=4 3172 B14R1.833 CNC(=O)CSc1ccc(c(c1)F)O 62a_100000183359_100000185481 [0,1,0,0,0,1|2,0,0]=4 3173 B14R1.833 CNC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000183359 [0,1,0,0,0,1|2,0,0]=4 3174 B14R1.833 CNC(=O)CSc1ccc(c(c1)N)O 62a_100000183359_100000752626 [0,1,0,0,0,1|2,0,0]=4 3175 B14R1.833 CNC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000183359 [0,1,0,0,0,1|2,0,0]=4 3176 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)Br 62a_100000183359_100012356990 [0,1,0,0,0,1|2,0,0]=4 3177 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000183359 [0,1,0,0,0,1|2,0,0]=4 3178 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)C 62a_100000183359_100000685420 [0,1,0,0,0,1|2,0,0]=4 3179 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000183359 [0,1,0,0,0,1|2,0,0]=4 3180 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)Cl 62a_100000183359_100011356854 [0,1,0,0,0,1|2,0,0]=4 3181 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000183359 [0,1,0,0,0,1|2,0,0]=4 3182 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)F 62a_100000183359_100000686035 [0,1,0,0,0,1|2,0,0]=4 3183 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000183359 [0,1,0,0,0,1|2,0,0]=4 3184 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)N 62a_100000183359_100000739049 [0,1,0,0,0,1|2,0,0]=4 3185 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000183359 [0,1,0,0,0,1|2,0,0]=4 3186 B14R1.833 CNC(=O)CSc1ccc(c(c1)O)O 62a_100000183359_100009813601 [0,1,0,0,0,1|1,0,0]=3 3187 B14R1.833 CNC(=O)NCc1ccc(c(c1)F)O 2708a_100000758358_106832991635 [0,1,0,0,0,1|2,0,0]=4 3188 B14R1.833 CNC(=O)NCc1ccc(c(c1)F)O 2708a_100102657272_100000758358 [0,1,0,0,0,1|2,0,0]=4 3189 B14R1.833 CNC(=O)NCc1ccc(c(c1)F)O 273464a_100000758358_100102657272 [0,1,0,0,0,1|2,0,0]=4 3190 B14R1.833 CNC(=O)NCc1ccc(c(c1)F)O 273464a_100102657272_100000758358 [0,1,0,0,0,1|2,0,0]=4 3191 B14R1.833 CNC(=O)NCc1ccc(c(c1)F)O 512a_106832991638_100000758358 [0,1,0,0,0,1|2,0,0]=4 3192 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)Cl 2708a_100020636435_106832991635 [0,1,0,0,0,1|2,0,0]=4 3193 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)Cl 2708a_100102657272_100020636435 [0,1,0,0,0,1|2,0,0]=4 3194 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)Cl 273464a_100020636435_100102657272 [0,1,0,0,0,1|2,0,0]=4 3195 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)Cl 273464a_100102657272_100020636435 [0,1,0,0,0,1|2,0,0]=4 3196 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)Cl 512a_100020636435_100102657272 [0,1,0,0,0,1|2,0,0]=4 3197 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)Cl 512a_106832991638_100020636435 [0,1,0,0,0,1|2,0,0]=4 3198 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)F 2708a_100102657272_100160469508 [0,1,0,0,0,1|2,0,0]=4 3199 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)F 2708a_100160469508_106832991635 [0,1,0,0,0,1|2,0,0]=4 3200 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)F 273464a_100102657272_100160469508 [0,1,0,0,0,1|2,0,0]=4 3201 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)F 273464a_100160469508_100102657272 [0,1,0,0,0,1|2,0,0]=4 3202 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)F 512a_100160469508_100102657272 [0,1,0,0,0,1|2,0,0]=4 3203 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)F 512a_106832991638_100160469508 [0,1,0,0,0,1|2,0,0]=4 3204 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 2708a_100000010075_106832991635 [0,1,0,0,0,1|1,0,0]=3 3205 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 273464a_100000010075_100102657272 [0,1,0,0,0,1|1,0,0]=3 3206 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 273464a_100102657272_100000010075 [0,1,0,0,0,1|1,0,0]=3 3207 B14R1.833 CNC(=O)NCc1ccc(c(c1)O)O 512a_106832991638_100000010075 [0,1,0,0,0,1|1,0,0]=3 3208 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000747449 [0,1,0,0,0,1|2,0,0]=4 3209 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000747449 [0,1,0,0,0,1|2,0,0]=4 3210 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000747449 [0,1,0,0,0,1|2,0,0]=4 3211 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)C 2230a_100000736455_100000747449 [0,1,0,0,0,1|2,0,0]=4 3212 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)C 34a_100000736455_100000747449 [0,1,0,0,0,1|2,0,0]=4 3213 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)C 7a_100000736455_100000747449 [0,1,0,0,0,1|2,0,0]=4 3214 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000747449 [0,1,0,0,0,1|2,0,0]=4 3215 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000747449 [0,1,0,0,0,1|2,0,0]=4 3216 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000747449 [0,1,0,0,0,1|2,0,0]=4 3217 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000747449 [0,1,0,0,0,1|2,0,0]=4 3218 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000747449 [0,1,0,0,0,1|2,0,0]=4 3219 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000747449 [0,1,0,0,0,1|2,0,0]=4 3220 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000747449 [0,1,0,0,0,1|1,0,0]=3 3221 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Br 2230a_100000210723_100000747449 [0,1,0,0,0,1|2,0,0]=4 3222 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Br 34a_100000210723_100000747449 [0,1,0,0,0,1|2,0,0]=4 3223 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Br 7a_100000210723_100000747449 [0,1,0,0,0,1|2,0,0]=4 3224 B14R1.833 COC(=O)CNc1ccc(c(c1)C)C 2230a_100000724040_100000747449 [0,1,0,0,0,1|2,0,0]=4 3225 B14R1.833 COC(=O)CNc1ccc(c(c1)C)C 34a_100000724040_100000747449 [0,1,0,0,0,1|2,0,0]=4 3226 B14R1.833 COC(=O)CNc1ccc(c(c1)C)C 7a_100000724040_100000747449 [0,1,0,0,0,1|2,0,0]=4 3227 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000747449 [0,1,0,0,0,1|2,0,0]=4 3228 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000747449 [0,1,0,0,0,1|2,0,0]=4 3229 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000747449 [0,1,0,0,0,1|2,0,0]=4 3230 B14R1.833 COC(=O)CNc1ccc(c(c1)C)F 2230a_100000750164_100000747449 [0,1,0,0,0,1|2,0,0]=4 3231 B14R1.833 COC(=O)CNc1ccc(c(c1)C)F 34a_100000750164_100000747449 [0,1,0,0,0,1|2,0,0]=4 3232 B14R1.833 COC(=O)CNc1ccc(c(c1)C)F 7a_100000750164_100000747449 [0,1,0,0,0,1|2,0,0]=4 3233 B14R1.833 COC(=O)CNc1ccc(c(c1)C)I 34a_100000198070_100000747449 [0,1,0,0,0,1|2,0,0]=4 3234 B14R1.833 COC(=O)CNc1ccc(c(c1)C)I 7a_100000198070_100000747449 [0,1,0,0,0,1|2,0,0]=4 3235 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000747449 [0,1,0,0,0,1|1,0,0]=3 3236 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000747449 [0,1,0,0,0,1|1,0,0]=3 3237 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000747449 [0,1,0,0,0,1|2,0,0]=4 3238 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000747449 [0,1,0,0,0,1|2,0,0]=4 3239 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000747449 [0,1,0,0,0,1|2,0,0]=4 3240 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100000747449 [0,1,0,0,0,1|2,0,0]=4 3241 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)C 34a_100000188892_100000747449 [0,1,0,0,0,1|2,0,0]=4 3242 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)C 7a_100000188892_100000747449 [0,1,0,0,0,1|2,0,0]=4 3243 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000747449 [0,1,0,0,0,1|2,0,0]=4 3244 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000747449 [0,1,0,0,0,1|2,0,0]=4 3245 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000747449 [0,1,0,0,0,1|2,0,0]=4 3246 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000747449 [0,1,0,0,0,1|2,0,0]=4 3247 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000747449 [0,1,0,0,0,1|2,0,0]=4 3248 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000747449 [0,1,0,0,0,1|2,0,0]=4 3249 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000747449 [0,1,0,0,0,1|1,0,0]=3 3250 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000747449 [0,1,0,0,0,1|2,0,0]=4 3251 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000747449 [0,1,0,0,0,1|2,0,0]=4 3252 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000747449 [0,1,0,0,0,1|2,0,0]=4 3253 B14R1.833 COC(=O)CNc1ccc(c(c1)F)C 2230a_100000210958_100000747449 [0,1,0,0,0,1|2,0,0]=4 3254 B14R1.833 COC(=O)CNc1ccc(c(c1)F)C 34a_100000210958_100000747449 [0,1,0,0,0,1|2,0,0]=4 3255 B14R1.833 COC(=O)CNc1ccc(c(c1)F)C 7a_100000210958_100000747449 [0,1,0,0,0,1|2,0,0]=4 3256 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000747449 [0,1,0,0,0,1|2,0,0]=4 3257 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000747449 [0,1,0,0,0,1|2,0,0]=4 3258 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000747449 [0,1,0,0,0,1|2,0,0]=4 3259 B14R1.833 COC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000747449 [0,1,0,0,0,1|2,0,0]=4 3260 B14R1.833 COC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000747449 [0,1,0,0,0,1|2,0,0]=4 3261 B14R1.833 COC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000747449 [0,1,0,0,0,1|2,0,0]=4 3262 B14R1.833 COC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000747449 [0,1,0,0,0,1|2,0,0]=4 3263 B14R1.833 COC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000747449 [0,1,0,0,0,1|2,0,0]=4 3264 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000747449 [0,1,0,0,0,1|1,0,0]=3 3265 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000747449 [0,1,0,0,0,1|1,0,0]=3 3266 B14R1.833 COC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000747449 [0,1,0,0,0,1|2,0,0]=4 3267 B14R1.833 COC(=O)CNc1ccc(c(c1)I)C 34a_100000184131_100000747449 [0,1,0,0,0,1|2,0,0]=4 3268 B14R1.833 COC(=O)CNc1ccc(c(c1)I)C 7a_100000184131_100000747449 [0,1,0,0,0,1|2,0,0]=4 3269 B14R1.833 COC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000747449 [0,1,0,0,0,1|2,0,0]=4 3270 B14R1.833 COC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000747449 [0,1,0,0,0,1|2,0,0]=4 3271 B14R1.833 COC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000747449 [0,1,0,0,0,1|2,0,0]=4 3272 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000747449 [0,1,0,0,0,1|1,0,0]=3 3273 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000747449 [0,1,0,0,0,1|1,0,0]=3 3274 B14R1.833 COC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000747449 [0,1,0,0,0,1|1,0,0]=3 3275 B14R1.833 COC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000747449 [0,1,0,0,0,1|1,0,0]=3 3276 B14R1.833 COC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000747449 [0,1,0,0,0,1|1,0,0]=3 3277 B14R1.833 COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000747449 [0,1,0,0,0,1|0,0,0]=2 3278 B14R1.833 COC(=O)COc1ccc(c(c1)Br)C 34a_100011380479_100000747449 [0,1,0,0,0,1|2,0,0]=4 3279 B14R1.833 COC(=O)COc1ccc(c(c1)Br)C 7a_100011380479_100000747449 [0,1,0,0,0,1|2,0,0]=4 3280 B14R1.833 COC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000747449 [0,1,0,0,0,1|2,0,0]=4 3281 B14R1.833 COC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000747449 [0,1,0,0,0,1|2,0,0]=4 3282 B14R1.833 COC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000747449 [0,1,0,0,0,1|2,0,0]=4 3283 B14R1.833 COC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000747449 [0,1,0,0,0,1|2,0,0]=4 3284 B14R1.833 COC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000747449 [0,1,0,0,0,1|2,0,0]=4 3285 B14R1.833 COC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000747449 [0,1,0,0,0,1|2,0,0]=4 3286 B14R1.833 COC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000747449 [0,1,0,0,0,1|2,0,0]=4 3287 B14R1.833 COC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000747449 [0,1,0,0,0,1|2,0,0]=4 3288 B14R1.833 COC(=O)COc1ccc(c(c1)C)Br 34a_100000690111_100000747449 [0,1,0,0,0,1|2,0,0]=4 3289 B14R1.833 COC(=O)COc1ccc(c(c1)C)Br 7a_100000690111_100000747449 [0,1,0,0,0,1|2,0,0]=4 3290 B14R1.833 COC(=O)COc1ccc(c(c1)C)C 34a_100000210932_100000747449 [0,1,0,0,0,1|2,0,0]=4 3291 B14R1.833 COC(=O)COc1ccc(c(c1)C)C 7a_100000210932_100000747449 [0,1,0,0,0,1|2,0,0]=4 3292 B14R1.833 COC(=O)COc1ccc(c(c1)C)Cl 34a_100000211092_100000747449 [0,1,0,0,0,1|2,0,0]=4 3293 B14R1.833 COC(=O)COc1ccc(c(c1)C)Cl 7a_100000211092_100000747449 [0,1,0,0,0,1|2,0,0]=4 3294 B14R1.833 COC(=O)COc1ccc(c(c1)C)F 34a_100000751312_100000747449 [0,1,0,0,0,1|2,0,0]=4 3295 B14R1.833 COC(=O)COc1ccc(c(c1)C)F 7a_100000751312_100000747449 [0,1,0,0,0,1|2,0,0]=4 3296 B14R1.833 COC(=O)COc1ccc(c(c1)C)I 34a_100000729255_100000747449 [0,1,0,0,0,1|2,0,0]=4 3297 B14R1.833 COC(=O)COc1ccc(c(c1)C)I 7a_100000729255_100000747449 [0,1,0,0,0,1|2,0,0]=4 3298 B14R1.833 COC(=O)COc1ccc(c(c1)C)N 34a_100000756630_100000747449 [0,1,0,0,0,1|2,0,0]=4 3299 B14R1.833 COC(=O)COc1ccc(c(c1)C)N 7a_100000756630_100000747449 [0,1,0,0,0,1|2,0,0]=4 3300 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000747449 [0,1,0,0,0,1|2,0,0]=4 3301 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000747449 [0,1,0,0,0,1|2,0,0]=4 3302 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)C 34a_100011265682_100000747449 [0,1,0,0,0,1|2,0,0]=4 3303 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)C 7a_100011265682_100000747449 [0,1,0,0,0,1|2,0,0]=4 3304 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000747449 [0,1,0,0,0,1|2,0,0]=4 3305 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000747449 [0,1,0,0,0,1|2,0,0]=4 3306 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000747449 [0,1,0,0,0,1|2,0,0]=4 3307 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000747449 [0,1,0,0,0,1|2,0,0]=4 3308 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000747449 [0,1,0,0,0,1|2,0,0]=4 3309 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000747449 [0,1,0,0,0,1|2,0,0]=4 3310 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000747449 [0,1,0,0,0,1|2,0,0]=4 3311 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000747449 [0,1,0,0,0,1|2,0,0]=4 3312 B14R1.833 COC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000747449 [0,1,0,0,0,1|2,0,0]=4 3313 B14R1.833 COC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000747449 [0,1,0,0,0,1|2,0,0]=4 3314 B14R1.833 COC(=O)COc1ccc(c(c1)F)C 34a_100000722560_100000747449 [0,1,0,0,0,1|2,0,0]=4 3315 B14R1.833 COC(=O)COc1ccc(c(c1)F)C 7a_100000722560_100000747449 [0,1,0,0,0,1|2,0,0]=4 3316 B14R1.833 COC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000747449 [0,1,0,0,0,1|2,0,0]=4 3317 B14R1.833 COC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000747449 [0,1,0,0,0,1|2,0,0]=4 3318 B14R1.833 COC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000747449 [0,1,0,0,0,1|2,0,0]=4 3319 B14R1.833 COC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000747449 [0,1,0,0,0,1|2,0,0]=4 3320 B14R1.833 COC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000747449 [0,1,0,0,0,1|2,0,0]=4 3321 B14R1.833 COC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000747449 [0,1,0,0,0,1|2,0,0]=4 3322 B14R1.833 COC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000747449 [0,1,0,0,0,1|2,0,0]=4 3323 B14R1.833 COC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000747449 [0,1,0,0,0,1|2,0,0]=4 3324 B14R1.833 COC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000747449 [0,1,0,0,0,1|2,0,0]=4 3325 B14R1.833 COC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000747449 [0,1,0,0,0,1|2,0,0]=4 3326 B14R1.833 COC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000747449 [0,1,0,0,0,1|2,0,0]=4 3327 B14R1.833 COC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000747449 [0,1,0,0,0,1|2,0,0]=4 3328 B14R1.833 COC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000747449 [0,1,0,0,0,1|2,0,0]=4 3329 B14R1.833 COC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000747449 [0,1,0,0,0,1|2,0,0]=4 3330 B14R1.833 COC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000747449 [0,1,0,0,0,1|2,0,0]=4 3331 B14R1.833 COC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000747449 [0,1,0,0,0,1|2,0,0]=4 3332 B14R1.833 COC(=O)COc1ccc(c(c1)N)C 34a_100011216113_100000747449 [0,1,0,0,0,1|2,0,0]=4 3333 B14R1.833 COC(=O)COc1ccc(c(c1)N)C 7a_100011216113_100000747449 [0,1,0,0,0,1|2,0,0]=4 3334 B14R1.833 COC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000747449 [0,1,0,0,0,1|2,0,0]=4 3335 B14R1.833 COC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000747449 [0,1,0,0,0,1|2,0,0]=4 3336 B14R1.833 COC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000747449 [0,1,0,0,0,1|2,0,0]=4 3337 B14R1.833 COC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000747449 [0,1,0,0,0,1|2,0,0]=4 3338 B14R1.833 COC(=O)COc1ccc(c(c1)N)O 271570a_203496583355_200010369463 [0,1,0,0,0,1|1,0,0]=3 3339 B14R1.833 COC(=O)CSc1c[nH]c(=O)c(c1)O 62a_100000747449_100009814561 [0,1,0,0,0,1|1,0,1]=4 3340 B14R1.833 COC(=O)CSc1cc(c(cn1)C)O 62a_100000704368_100000747449 [0,1,0,0,0,1|2,0,0]=4 3341 B14R1.833 COC(=O)CSc1cc(c(cn1)C)O 62a_100000747449_100000704368 [0,1,0,0,0,1|2,0,0]=4 3342 B14R1.833 COC(=O)CSc1cc(c(cn1)F)O 62a_100000747449_100009854642 [0,1,0,0,0,1|2,0,0]=4 3343 B14R1.833 COC(=O)CSc1cc(c(cn1)F)O 62a_100009854642_100000747449 [0,1,0,0,0,1|2,0,0]=4 3344 B14R1.833 COC(=O)CSc1cc(c(cn1)O)C 62a_100000747449_100000692680 [0,1,0,0,0,1|2,0,0]=4 3345 B14R1.833 COC(=O)CSc1cc(c(cn1)O)N 62a_100000747449_100009819941 [0,1,0,0,0,1|2,0,0]=4 3346 B14R1.833 COC(=O)CSc1cc(c(cn1)O)N 62a_100009819941_100000747449 [0,1,0,0,0,1|2,0,0]=4 3347 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Br 62a_100000747449_100012356285 [0,1,0,0,0,1|2,0,0]=4 3348 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000747449 [0,1,0,0,0,1|2,0,0]=4 3349 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)C 62a_100000747449_100011847877 [0,1,0,0,0,1|2,0,0]=4 3350 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)C 62a_100011847877_100000747449 [0,1,0,0,0,1|2,0,0]=4 3351 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000747449_100012353702 [0,1,0,0,0,1|2,0,0]=4 3352 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000747449 [0,1,0,0,0,1|2,0,0]=4 3353 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)F 62a_100000747449_100012047266 [0,1,0,0,0,1|2,0,0]=4 3354 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000747449 [0,1,0,0,0,1|2,0,0]=4 3355 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)N 62a_100000747449_100000750455 [0,1,0,0,0,1|2,0,0]=4 3356 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000747449 [0,1,0,0,0,1|2,0,0]=4 3357 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100000747449_100012361655 [0,1,0,0,0,1|1,0,0]=3 3358 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747449 [0,1,0,0,0,1|1,0,0]=3 3359 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Br 62a_100000747449_100009813585 [0,1,0,0,0,1|2,0,0]=4 3360 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Br 62a_100009813585_100000747449 [0,1,0,0,0,1|2,0,0]=4 3361 B14R1.833 COC(=O)CSc1ccc(c(c1)C)C 62a_100000747449_100011215607 [0,1,0,0,0,1|2,0,0]=4 3362 B14R1.833 COC(=O)CSc1ccc(c(c1)C)C 62a_100011215607_100000747449 [0,1,0,0,0,1|2,0,0]=4 3363 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000747449 [0,1,0,0,0,1|2,0,0]=4 3364 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Cl 62a_100000747449_100000049509 [0,1,0,0,0,1|2,0,0]=4 3365 B14R1.833 COC(=O)CSc1ccc(c(c1)C)F 62a_100000747449_100011218330 [0,1,0,0,0,1|2,0,0]=4 3366 B14R1.833 COC(=O)CSc1ccc(c(c1)C)F 62a_100011218330_100000747449 [0,1,0,0,0,1|2,0,0]=4 3367 B14R1.833 COC(=O)CSc1ccc(c(c1)C)N 62a_100000211769_100000747449 [0,1,0,0,0,1|2,0,0]=4 3368 B14R1.833 COC(=O)CSc1ccc(c(c1)C)N 62a_100000747449_100000211769 [0,1,0,0,0,1|2,0,0]=4 3369 B14R1.833 COC(=O)CSc1ccc(c(c1)C)O 62a_100000747449_100000186361 [0,1,0,0,0,1|1,0,0]=3 3370 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000747449_100012047281 [0,1,0,0,0,1|2,0,0]=4 3371 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000747449 [0,1,0,0,0,1|2,0,0]=4 3372 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)C 62a_100000747449_100011216363 [0,1,0,0,0,1|2,0,0]=4 3373 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)C 62a_100011216363_100000747449 [0,1,0,0,0,1|2,0,0]=4 3374 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000747449_100011214914 [0,1,0,0,0,1|2,0,0]=4 3375 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000747449 [0,1,0,0,0,1|2,0,0]=4 3376 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)F 62a_100000747449_100011215976 [0,1,0,0,0,1|2,0,0]=4 3377 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000747449 [0,1,0,0,0,1|2,0,0]=4 3378 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)N 62a_100000747449_100011218065 [0,1,0,0,0,1|2,0,0]=4 3379 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000747449 [0,1,0,0,0,1|2,0,0]=4 3380 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747449_100012360047 [0,1,0,0,0,1|1,0,0]=3 3381 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747449 [0,1,0,0,0,1|1,0,0]=3 3382 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000747449 [0,1,0,0,0,1|2,0,0]=4 3383 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Br 62a_100000747449_100000685389 [0,1,0,0,0,1|2,0,0]=4 3384 B14R1.833 COC(=O)CSc1ccc(c(c1)F)C 62a_100000720648_100000747449 [0,1,0,0,0,1|2,0,0]=4 3385 B14R1.833 COC(=O)CSc1ccc(c(c1)F)C 62a_100000747449_100000720648 [0,1,0,0,0,1|2,0,0]=4 3386 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Cl 62a_100000747449_100011216805 [0,1,0,0,0,1|2,0,0]=4 3387 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000747449 [0,1,0,0,0,1|2,0,0]=4 3388 B14R1.833 COC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000747449 [0,1,0,0,0,1|2,0,0]=4 3389 B14R1.833 COC(=O)CSc1ccc(c(c1)F)F 62a_100000747449_100000703953 [0,1,0,0,0,1|2,0,0]=4 3390 B14R1.833 COC(=O)CSc1ccc(c(c1)F)N 62a_100000747449_100011215594 [0,1,0,0,0,1|2,0,0]=4 3391 B14R1.833 COC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000747449 [0,1,0,0,0,1|2,0,0]=4 3392 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747449 [0,1,0,0,0,1|1,0,0]=3 3393 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000747449_100000185481 [0,1,0,0,0,1|1,0,0]=3 3394 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Br 62a_100000747449_100000750456 [0,1,0,0,0,1|2,0,0]=4 3395 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000747449 [0,1,0,0,0,1|2,0,0]=4 3396 B14R1.833 COC(=O)CSc1ccc(c(c1)N)C 62a_100000747449_100000761890 [0,1,0,0,0,1|2,0,0]=4 3397 B14R1.833 COC(=O)CSc1ccc(c(c1)N)C 62a_100000761890_100000747449 [0,1,0,0,0,1|2,0,0]=4 3398 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Cl 62a_100000747449_200000761891 [0,1,0,0,0,1|2,0,0]=4 3399 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000747449 [0,1,0,0,0,1|2,0,0]=4 3400 B14R1.833 COC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000747449 [0,1,0,0,0,1|2,0,0]=4 3401 B14R1.833 COC(=O)CSc1ccc(c(c1)N)F 62a_100000747449_100000740924 [0,1,0,0,0,1|2,0,0]=4 3402 B14R1.833 COC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000747449 [0,1,0,0,0,1|2,0,0]=4 3403 B14R1.833 COC(=O)CSc1ccc(c(c1)N)N 62a_100000747449_100011534411 [0,1,0,0,0,1|2,0,0]=4 3404 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000747449_100000752626 [0,1,0,0,0,1|1,0,0]=3 3405 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747449 [0,1,0,0,0,1|1,0,0]=3 3406 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Br 62a_100000747449_100012356990 [0,1,0,0,0,1|1,0,0]=3 3407 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747449 [0,1,0,0,0,1|1,0,0]=3 3408 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000747449 [0,1,0,0,0,1|1,0,0]=3 3409 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000747449_100000685420 [0,1,0,0,0,1|1,0,0]=3 3410 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747449_100011356854 [0,1,0,0,0,1|1,0,0]=3 3411 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747449 [0,1,0,0,0,1|1,0,0]=3 3412 B14R1.833 COC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747449 [0,1,0,0,0,1|1,0,0]=3 3413 B14R1.833 COC(=O)CSc1ccc(c(c1)O)F 62a_100000747449_100000686035 [0,1,0,0,0,1|1,0,0]=3 3414 B14R1.833 COC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747449 [0,1,0,0,0,1|1,0,0]=3 3415 B14R1.833 COC(=O)CSc1ccc(c(c1)O)N 62a_100000747449_100000739049 [0,1,0,0,0,1|1,0,0]=3 3416 B14R1.833 COC(=O)CSc1ccc(c(c1)O)O 62a_100000747449_100009813601 [0,1,0,0,0,1|0,0,0]=2 3417 B14R1.833 COC(=O)CSc1ccc(c(n1)Br)O 62a_100000725334_100000747449 [0,1,0,0,0,1|2,0,0]=4 3418 B14R1.833 COC(=O)CSc1ccc(c(n1)Br)O 62a_100000747449_100000725334 [0,1,0,0,0,1|2,0,0]=4 3419 B14R1.833 COC(=O)CSc1ccc(c(n1)C)O 62a_100000747449_100010233687 [0,1,0,0,0,1|2,0,0]=4 3420 B14R1.833 COC(=O)CSc1ccc(c(n1)C)O 62a_100010233687_100000747449 [0,1,0,0,0,1|2,0,0]=4 3421 B14R1.833 COC(=O)CSc1ccc(c(n1)Cl)O 62a_100000747449_100000721234 [0,1,0,0,0,1|2,0,0]=4 3422 B14R1.833 COC(=O)CSc1ccc(c(n1)F)O 62a_100000747449_100009819667 [0,1,0,0,0,1|2,0,0]=4 3423 B14R1.833 COC(=O)CSc1ccc(c(n1)F)O 62a_100009819667_100000747449 [0,1,0,0,0,1|2,0,0]=4 3424 B14R1.833 COC(=O)CSc1ccc(c(n1)N)O 62a_100000685527_100000747449 [0,1,0,0,0,1|2,0,0]=4 3425 B14R1.833 COC(=O)CSc1ccc(c(n1)N)O 62a_100000747449_100000685527 [0,1,0,0,0,1|2,0,0]=4 3426 B14R1.833 COC(=O)CSc1ccc(c(n1)O)F 62a_100000747449_100010729010 [0,1,0,0,0,1|2,0,0]=4 3427 B14R1.833 COC(=O)CSc1ccc(c(n1)O)N 62a_100000718904_100000747449 [0,1,0,0,0,1|2,0,0]=4 3428 B14R1.833 COC(=O)CSc1cnc(c(c1)C)O 62a_100000685391_100000747449 [0,1,0,0,0,1|2,0,0]=4 3429 B14R1.833 COC(=O)CSc1cnc(c(c1)C)O 62a_100000747449_100000685391 [0,1,0,0,0,1|2,0,0]=4 3430 B14R1.833 COC(=O)CSc1cnc(c(c1)Cl)O 62a_100000747449_100010238531 [0,1,0,0,0,1|2,0,0]=4 3431 B14R1.833 COC(=O)CSc1cnc(c(c1)Cl)O 62a_100010238531_100000747449 [0,1,0,0,0,1|2,0,0]=4 3432 B14R1.833 COC(=O)CSc1cnc(c(c1)N)O 62a_100000743729_100000747449 [0,1,0,0,0,1|2,0,0]=4 3433 B14R1.833 COC(=O)CSc1cnc(c(c1)N)O 62a_100000747449_100000743729 [0,1,0,0,0,1|2,0,0]=4 3434 B14R1.833 COC(=O)CSc1cnc(c(c1)O)C 62a_100000747449_100009864810 [0,1,0,0,0,1|2,0,0]=4 3435 B14R1.833 COC(=O)CSc1cnc(c(c1)O)C 62a_100009864810_100000747449 [0,1,0,0,0,1|2,0,0]=4 3436 B14R1.833 COC(=O)CSc1cnc(c(c1)O)F 62a_100000747449_100009819871 [0,1,0,0,0,1|2,0,0]=4 3437 B14R1.833 COC(=O)CSc1cnc(c(c1)O)F 62a_100009819871_100000747449 [0,1,0,0,0,1|2,0,0]=4 3438 B14R1.833 COC(=O)CSc1cnc(c(c1)O)N 62a_100000747449_100009819042 [0,1,0,0,0,1|2,0,0]=4 3439 B14R1.833 COC(=O)CSc1cnc(c(c1)O)N 62a_100009819042_100000747449 [0,1,0,0,0,1|2,0,0]=4 3440 B14R1.833 C[C@@H](CO)CNc1ccc(c(c1)O)O 34a_100102946323_100000059175 [0,1,0,0,0,1|1,0,1]=4 3441 B14R1.833 C[C@@H](CO)CSc1ccc(c(c1)O)O 62a_100000059175_100009813601 [0,1,0,0,0,1|1,0,1]=4 3442 B14R1.833 Cc1cc(ccc1Br)CNC(=O)CO 240690a_100015205234_100000210174 [0,1,0,0,0,1|2,0,0]=4 3443 B14R1.833 Cc1cc(ccc1Br)CNC(=O)CO 527a_100015205234_100000210174 [0,1,0,0,0,1|2,0,0]=4 3444 B14R1.833 Cc1cc(ccc1F)CNC(=O)CO 240690a_100000239911_100000210174 [0,1,0,0,0,1|2,0,0]=4 3445 B14R1.833 Cc1cc(ccc1F)CNC(=O)CO 527a_100000239911_100000210174 [0,1,0,0,0,1|2,0,0]=4 3446 B14R1.833 Cc1ccc(cc1C)CNC(=O)CO 240690a_100025706692_100000210174 [0,1,0,0,0,1|2,0,0]=4 3447 B14R1.833 Cc1ccc(cc1C)CNC(=O)CO 527a_100025706692_100000210174 [0,1,0,0,0,1|2,0,0]=4 3448 B14R1.833 Cc1ccc(cc1Cl)CNC(=O)CO 240690a_102495364989_100000210174 [0,1,0,0,0,1|2,0,0]=4 3449 B14R1.833 Cc1ccc(cc1Cl)CNC(=O)CO 527a_102495364989_100000210174 [0,1,0,0,0,1|2,0,0]=4 3450 B14R1.833 Cc1ccc(cc1F)CNC(=O)CO 240690a_100102708794_100000210174 [0,1,0,0,0,1|2,0,0]=4 3451 B14R1.833 Cc1ccc(cc1F)CNC(=O)CO 527a_100102708794_100000210174 [0,1,0,0,0,1|2,0,0]=4 3452 B14R1.833 O=C(CF)CCc1ccc(c(c1)O)O 1458a_100000042615_100015361967 [0,1,0,0,0,1|1,0,0]=3 3453 B14R1.833 O=C(CO)CCc1ccc(c(c1)Cl)Cl 1458a_100000210174_100011713676 [0,1,0,0,0,1|2,0,0]=4 3454 B14R1.833 O=C(CO)CCc1ccc(c(c1)Cl)F 1458a_100000210174_100012361305 [0,1,0,0,0,1|2,0,0]=4 3455 B14R1.833 O=C(CO)CCc1ccc(c(c1)F)F 1458a_100000210174_100000690553 [0,1,0,0,0,1|2,0,0]=4 3456 B14R1.833 O=C(CO)CCc1ccc(c(c1)O)O 1458a_100000210174_200010393615 [0,1,0,0,0,1|0,0,0]=2 3457 B14R1.833 O=C(CO)NCc1ccc(c(c1)Br)Br 240690a_100012351559_100000210174 [0,1,0,0,0,1|2,0,0]=4 3458 B14R1.833 O=C(CO)NCc1ccc(c(c1)Br)Br 527a_100012351559_100000210174 [0,1,0,0,0,1|2,0,0]=4 3459 B14R1.833 O=C(CO)NCc1ccc(c(c1)Br)Cl 240690a_100012349490_100000210174 [0,1,0,0,0,1|2,0,0]=4 3460 B14R1.833 O=C(CO)NCc1ccc(c(c1)Br)Cl 527a_100012349490_100000210174 [0,1,0,0,0,1|2,0,0]=4 3461 B14R1.833 O=C(CO)NCc1ccc(c(c1)Br)F 240690a_100015193890_100000210174 [0,1,0,0,0,1|2,0,0]=4 3462 B14R1.833 O=C(CO)NCc1ccc(c(c1)Br)F 527a_100015193890_100000210174 [0,1,0,0,0,1|2,0,0]=4 3463 B14R1.833 O=C(CO)NCc1ccc(c(c1)Cl)Br 240690a_100012362553_100000210174 [0,1,0,0,0,1|2,0,0]=4 3464 B14R1.833 O=C(CO)NCc1ccc(c(c1)Cl)Br 527a_100012362553_100000210174 [0,1,0,0,0,1|2,0,0]=4 3465 B14R1.833 O=C(CO)NCc1ccc(c(c1)Cl)Cl 240690a_100000174881_100000210174 [0,1,0,0,0,1|2,0,0]=4 3466 B14R1.833 O=C(CO)NCc1ccc(c(c1)Cl)Cl 527a_100000174881_100000210174 [0,1,0,0,0,1|2,0,0]=4 3467 B14R1.833 O=C(CO)NCc1ccc(c(c1)Cl)F 240690a_100000749334_100000210174 [0,1,0,0,0,1|2,0,0]=4 3468 B14R1.833 O=C(CO)NCc1ccc(c(c1)Cl)F 527a_100000749334_100000210174 [0,1,0,0,0,1|2,0,0]=4 3469 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)Br 240690a_100000755036_100000210174 [0,1,0,0,0,1|2,0,0]=4 3470 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)Br 527a_100000755036_100000210174 [0,1,0,0,0,1|2,0,0]=4 3471 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)Cl 240690a_100011219866_100000210174 [0,1,0,0,0,1|2,0,0]=4 3472 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)Cl 527a_100011219866_100000210174 [0,1,0,0,0,1|2,0,0]=4 3473 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)F 240690a_100000737897_100000210174 [0,1,0,0,0,1|2,0,0]=4 3474 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)F 527a_100000737897_100000210174 [0,1,0,0,0,1|2,0,0]=4 3475 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 240690a_100000758358_100000210174 [0,1,0,0,0,1|1,0,0]=3 3476 B14R1.833 O=C(CO)NCc1ccc(c(c1)F)O 527a_100000758358_100000210174 [0,1,0,0,0,1|1,0,0]=3 3477 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100000210174 [0,1,0,0,0,1|1,0,0]=3 3478 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)Cl 527a_100020636435_100000210174 [0,1,0,0,0,1|1,0,0]=3 3479 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)F 240690a_100160469508_100000210174 [0,1,0,0,0,1|1,0,0]=3 3480 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)F 527a_100160469508_100000210174 [0,1,0,0,0,1|1,0,0]=3 3481 B14R1.833 O=C(CO)NCc1ccc(c(c1)O)O 240690a_100000010075_100000210174 [0,1,0,0,0,1|0,0,0]=2 3482 B14R1.833 OCC(O)CSc1ccc(c(c1)O)O 62a_100011219619_100009813601 [0,1,0,0,0,1|0,0,2]=4 3483 B14R1.833 OC[C@H](O)CSc1ccc(c(c1)O)O 62a_100009815848_100009813601 [0,1,0,0,0,1|0,0,2]=4 3484 B14R1.833 Oc1ccc(cc1O)NC[C@@H](O)CF 34a_100102946323_100015614560 [0,1,0,0,0,1|1,0,1]=4 3485 B14R1.833 Oc1ccc(cc1O)SC[C@@H](O)CF 62a_100015614560_100009813601 [0,1,0,0,0,1|1,0,1]=4 3486 B14R1.3653 C=C(C)CNc1ccc(c(c1)O)OC 34a_100000211920_100000748629 [0,1,0,0,0,1|2,0,0]=4 3487 B14R1.3653 C=C(C)CSc1ccc(c(c1)O)CO 62a_100000071718_100000211660 [0,1,0,0,0,1|2,0,0]=4 3488 B14R1.3653 C=C(C)CSc1ccc(c(c1)O)CO 62a_100000748629_100000071718 [0,1,0,0,0,1|2,0,0]=4 3489 B14R1.3653 C=C(C)CSc1ccc(c(c1)O)OC 62a_100000748629_100009816560 [0,1,0,0,0,1|2,0,0]=4 3490 B14R1.3653 C=C(F)CNc1ccc(c(c1)O)OC 34a_100000211920_100009893438 [0,1,0,0,0,1|2,0,0]=4 3491 B14R1.3653 C=C(F)CSc1ccc(c(c1)O)CO 62a_100000042424_100000071718 [0,1,0,0,0,1|2,0,0]=4 3492 B14R1.3653 C=C(F)CSc1ccc(c(c1)O)CO 62a_100000071718_100000042424 [0,1,0,0,0,1|2,0,0]=4 3493 B14R1.3653 C=C(F)CSc1ccc(c(c1)O)OC 62a_100000042424_100009816560 [0,1,0,0,0,1|2,0,0]=4 3494 B14R1.3653 CC(O)CSc1ccc(c(c1)O)CO 62a_100000071718_100011218427 [0,1,0,0,0,1|1,0,1]=4 3495 B14R1.3653 CC(O)CSc1ccc(c(c1)O)CO 62a_100011218427_100000071718 [0,1,0,0,0,1|1,0,1]=4 3496 B14R1.3653 COc1ccc(cc1Br)CCC(=O)C 1458a_100000736731_200000210301 [0,1,0,0,0,1|2,0,0]=4 3497 B14R1.3653 COc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100000736731_200025704644 [0,1,0,0,0,1|2,0,0]=4 3498 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 11a_100159240714_100015343762 [0,1,0,0,0,1|2,0,0]=4 3499 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 1626a_100159240714_100015343762 [0,1,0,0,0,1|2,0,0]=4 3500 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 240690a_100159240714_100015343762 [0,1,0,0,0,1|2,0,0]=4 3501 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 527a_100159240714_100103153847 [0,1,0,0,0,1|2,0,0]=4 3502 B14R1.3653 COc1ccc(cc1Br)NCC(=O)N 34a_100000187427_100000187820 [0,1,0,0,0,1|2,0,0]=4 3503 B14R1.3653 COc1ccc(cc1Br)NCC(=O)[O-] 34a_100000187427_100020667443 [0,1,0,0,0,1|1,0,1]=4 3504 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 34a_100010234764_100000187820 [0,1,0,0,0,1|2,0,0]=4 3505 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 7a_100010234764_100000187820 [0,1,0,0,0,1|2,0,0]=4 3506 B14R1.3653 COc1ccc(cc1Br)OCC(=O)[O-] 34a_100010234764_100020667443 [0,1,0,0,0,1|1,0,1]=4 3507 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011249507 [0,1,0,0,0,1|2,0,0]=4 3508 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100011249507_100000747473 [0,1,0,0,0,1|2,0,0]=4 3509 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100011249507_100020667443 [0,1,0,0,0,1|1,0,1]=4 3510 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011249507 [0,1,0,0,0,1|1,0,1]=4 3511 B14R1.3653 COc1ccc(cc1C)CCC(=O)C 1458a_100011616661_200000210301 [0,1,0,0,0,1|2,0,0]=4 3512 B14R1.3653 COc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011616661_200025704644 [0,1,0,0,0,1|2,0,0]=4 3513 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 11a_100102679029_100015343762 [0,1,0,0,0,1|2,0,0]=4 3514 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 1626a_100102679029_100015343762 [0,1,0,0,0,1|2,0,0]=4 3515 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 240690a_100102679029_100015343762 [0,1,0,0,0,1|2,0,0]=4 3516 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 527a_100102679029_100103153847 [0,1,0,0,0,1|2,0,0]=4 3517 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 2230a_100000743268_100000747473 [0,1,0,0,0,1|2,0,0]=4 3518 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 34a_100000743268_100000187820 [0,1,0,0,0,1|2,0,0]=4 3519 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 7a_100000743268_100000187820 [0,1,0,0,0,1|2,0,0]=4 3520 B14R1.3653 COc1ccc(cc1C)NCC(=O)[O-] 34a_100000743268_100020667443 [0,1,0,0,0,1|1,0,1]=4 3521 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 34a_100000759738_100000187820 [0,1,0,0,0,1|2,0,0]=4 3522 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 7a_100000759738_100000187820 [0,1,0,0,0,1|2,0,0]=4 3523 B14R1.3653 COc1ccc(cc1C)OCC(=O)[O-] 34a_100000759738_100020667443 [0,1,0,0,0,1|1,0,1]=4 3524 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011219705 [0,1,0,0,0,1|2,0,0]=4 3525 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100011219705_100000747473 [0,1,0,0,0,1|2,0,0]=4 3526 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100011219705_100020667443 [0,1,0,0,0,1|1,0,1]=4 3527 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011219705 [0,1,0,0,0,1|1,0,1]=4 3528 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)C 1458a_100000735577_200000210301 [0,1,0,0,0,1|2,0,0]=4 3529 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)[13CH3] 1458a_100000735577_200025704644 [0,1,0,0,0,1|2,0,0]=4 3530 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 11a_100000008799_100015343762 [0,1,0,0,0,1|2,0,0]=4 3531 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 1626a_100000008799_100015343762 [0,1,0,0,0,1|2,0,0]=4 3532 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 240690a_100000008799_100015343762 [0,1,0,0,0,1|2,0,0]=4 3533 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 527a_100000008799_100103153847 [0,1,0,0,0,1|2,0,0]=4 3534 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 2230a_100000211044_100000747473 [0,1,0,0,0,1|2,0,0]=4 3535 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 34a_100000211044_100000187820 [0,1,0,0,0,1|2,0,0]=4 3536 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000211044_100020667443 [0,1,0,0,0,1|1,0,1]=4 3537 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 34a_200009861682_100000187820 [0,1,0,0,0,1|2,0,0]=4 3538 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 7a_200009861682_100000187820 [0,1,0,0,0,1|2,0,0]=4 3539 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)[O-] 34a_200009861682_100020667443 [0,1,0,0,0,1|1,0,1]=4 3540 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100012355395 [0,1,0,0,0,1|2,0,0]=4 3541 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100012355395_100000747473 [0,1,0,0,0,1|2,0,0]=4 3542 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100012355395_100020667443 [0,1,0,0,0,1|1,0,1]=4 3543 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100012355395 [0,1,0,0,0,1|1,0,1]=4 3544 B14R1.3653 COc1ccc(cc1F)CCC(=O)C 1458a_100000234888_200000210301 [0,1,0,0,0,1|2,0,0]=4 3545 B14R1.3653 COc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100000234888_200025704644 [0,1,0,0,0,1|2,0,0]=4 3546 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 11a_100000737316_100015343762 [0,1,0,0,0,1|2,0,0]=4 3547 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 1626a_100000737316_100015343762 [0,1,0,0,0,1|2,0,0]=4 3548 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 240690a_100000737316_100015343762 [0,1,0,0,0,1|2,0,0]=4 3549 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 527a_100000737316_100103153847 [0,1,0,0,0,1|2,0,0]=4 3550 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 2230a_100000740183_100000747473 [0,1,0,0,0,1|2,0,0]=4 3551 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 34a_100000740183_100000187820 [0,1,0,0,0,1|2,0,0]=4 3552 B14R1.3653 COc1ccc(cc1F)NCC(=O)[O-] 34a_100000740183_100020667443 [0,1,0,0,0,1|1,0,1]=4 3553 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 34a_100000746305_100000187820 [0,1,0,0,0,1|2,0,0]=4 3554 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 7a_100000746305_100000187820 [0,1,0,0,0,1|2,0,0]=4 3555 B14R1.3653 COc1ccc(cc1F)OCC(=O)[O-] 34a_100000746305_100020667443 [0,1,0,0,0,1|1,0,1]=4 3556 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000171752_100000747473 [0,1,0,0,0,1|2,0,0]=4 3557 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000171752 [0,1,0,0,0,1|2,0,0]=4 3558 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100000171752_100020667443 [0,1,0,0,0,1|1,0,1]=4 3559 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000171752 [0,1,0,0,0,1|1,0,1]=4 3560 B14R1.3653 COc1ccc(cc1I)NCC(=O)N 34a_100011356947_100000187820 [0,1,0,0,0,1|2,0,0]=4 3561 B14R1.3653 COc1ccc(cc1I)NCC(=O)[O-] 34a_100011356947_100020667443 [0,1,0,0,0,1|1,0,1]=4 3562 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 34a_100010084122_100000187820 [0,1,0,0,0,1|2,0,0]=4 3563 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 7a_100010084122_100000187820 [0,1,0,0,0,1|2,0,0]=4 3564 B14R1.3653 COc1ccc(cc1I)OCC(=O)[O-] 34a_100010084122_100020667443 [0,1,0,0,0,1|1,0,1]=4 3565 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100000747473_100011249504 [0,1,0,0,0,1|2,0,0]=4 3566 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100011249504_100000747473 [0,1,0,0,0,1|2,0,0]=4 3567 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100011249504_100020667443 [0,1,0,0,0,1|1,0,1]=4 3568 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011249504 [0,1,0,0,0,1|1,0,1]=4 3569 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [0,1,0,0,0,1|1,0,1]=4 3570 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [0,1,0,0,0,1|1,0,1]=4 3571 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [0,1,0,0,0,1|1,0,1]=4 3572 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1458a_100000746301_200000210301 [0,1,0,0,0,1|1,0,0]=3 3573 B14R1.3653 COc1ccc(cc1O)CCC(=O)[13CH3] 1458a_100000746301_200025704644 [0,1,0,0,0,1|1,0,0]=3 3574 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 240690a_100000740000_100015343762 [0,1,0,0,0,1|1,0,0]=3 3575 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 527a_100000740000_100103153847 [0,1,0,0,0,1|1,0,0]=3 3576 B14R1.3653 COc1ccc(cc1O)NCC(=O)N 34a_100000211920_100000187820 [0,1,0,0,0,1|1,0,0]=3 3577 B14R1.3653 COc1ccc(cc1O)NCC(=O)[O-] 34a_100000211920_100020667443 [0,1,0,0,0,1|0,0,1]=3 3578 B14R1.3653 COc1ccc(cc1O)NCC(C)O 34a_100000211920_100011218427 [0,1,0,0,0,1|1,0,1]=4 3579 B14R1.3653 COc1ccc(cc1O)NC[C@@H](C)O 34a_100000211920_100009817552 [0,1,0,0,0,1|1,0,1]=4 3580 B14R1.3653 COc1ccc(cc1O)NC[N+](=O)[O-] 34a_100000211920_100000761209 [0,1,0,0,0,1|1,0,1]=4 3581 B14R1.3653 COc1ccc(cc1O)SCC(=O)N 62a_100000747473_100009816560 [0,1,0,0,0,1|1,0,0]=3 3582 B14R1.3653 COc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100009816560 [0,1,0,0,0,1|0,0,1]=3 3583 B14R1.3653 COc1ccc(cc1O)SCC(C)O 62a_100011218427_100009816560 [0,1,0,0,0,1|1,0,1]=4 3584 B14R1.3653 COc1ccc(cc1O)SC[C@@H](C)O 62a_100009817552_100009816560 [0,1,0,0,0,1|1,0,1]=4 3585 B14R1.3653 COc1cnc(cc1O)SCC(=O)N 62a_100000747473_100010264082 [0,1,0,0,0,1|2,0,0]=4 3586 B14R1.3653 COc1cnc(cc1O)SCC(=O)[O-] 62a_100020667443_100010264082 [0,1,0,0,0,1|1,0,1]=4 3587 B14R1.3653 COc1ncc(cc1O)SCC(=O)N 62a_100000747473_100010135713 [0,1,0,0,0,1|2,0,0]=4 3588 B14R1.3653 COc1ncc(cc1O)SCC(=O)[O-] 62a_100020667443_100010135713 [0,1,0,0,0,1|1,0,1]=4 3589 B14R1.3653 C[C@@H](O)CSc1ccc(c(c1)O)CO 62a_100000071718_100009817552 [0,1,0,0,0,1|1,0,1]=4 3590 B14R1.3653 C[C@@H](O)CSc1ccc(c(c1)O)CO 62a_100009817552_100000071718 [0,1,0,0,0,1|1,0,1]=4 3591 B14R1.3653 Cc1cc(ccc1CO)NCC(=O)N 34a_100000102464_100000187820 [0,1,0,0,0,1|2,0,0]=4 3592 B14R1.3653 Cc1cc(ccc1CO)NCC(=O)[O-] 34a_100000102464_100020667443 [0,1,0,0,0,1|1,0,1]=4 3593 B14R1.3653 Cc1cc(ccc1CO)SCC(=O)N 62a_100000747473_100000748258 [0,1,0,0,0,1|2,0,0]=4 3594 B14R1.3653 Cc1cc(ccc1CO)SCC(=O)N 62a_100000748258_100000747473 [0,1,0,0,0,1|2,0,0]=4 3595 B14R1.3653 Cc1cc(ccc1CO)SCC(=O)[O-] 62a_100000748258_100020667443 [0,1,0,0,0,1|1,0,1]=4 3596 B14R1.3653 Cc1cc(ccc1CO)SCC(=O)[O-] 62a_100020667443_100000748258 [0,1,0,0,0,1|1,0,1]=4 3597 B14R1.3653 N#Cc1ccc(cc1O)NCC(=O)N 34a_100000094571_100000187820 [0,1,0,0,0,1|2,0,0]=4 3598 B14R1.3653 N#Cc1ccc(cc1O)NCC(=O)N 7a_100000094571_100000187820 [0,1,0,0,0,1|2,0,0]=4 3599 B14R1.3653 N#Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000094571_100020667443 [0,1,0,0,0,1|1,0,1]=4 3600 B14R1.3653 N#Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100011934713 [0,1,0,0,0,1|2,0,0]=4 3601 B14R1.3653 N#Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100011934713 [0,1,0,0,0,1|1,0,1]=4 3602 B14R1.3653 NC(=O)CNc1ccc(c(c1)Cl)CO 34a_100000689119_100000187820 [0,1,0,0,0,1|2,0,0]=4 3603 B14R1.3653 NC(=O)COc1ccc(c(c1)Br)CO 34a_100010146404_100000187820 [0,1,0,0,0,1|2,0,0]=4 3604 B14R1.3653 NC(=O)COc1ccc(c(c1)Br)CO 7a_100010146404_100000187820 [0,1,0,0,0,1|2,0,0]=4 3605 B14R1.3653 NC(=O)COc1ccc(c(c1)Cl)CO 34a_200000075811_100000187820 [0,1,0,0,0,1|2,0,0]=4 3606 B14R1.3653 NC(=O)COc1ccc(c(c1)Cl)CO 7a_200000075811_100000187820 [0,1,0,0,0,1|2,0,0]=4 3607 B14R1.3653 NC(=O)COc1ccc(c(c1)F)CO 34a_100000084598_100000187820 [0,1,0,0,0,1|2,0,0]=4 3608 B14R1.3653 NC(=O)COc1ccc(c(c1)F)CO 7a_100000084598_100000187820 [0,1,0,0,0,1|2,0,0]=4 3609 B14R1.3653 NC(=O)CSc1ccc(c(c1)Br)CO 62a_100000747473_100010240206 [0,1,0,0,0,1|2,0,0]=4 3610 B14R1.3653 NC(=O)CSc1ccc(c(c1)Br)CO 62a_100010240206_100000747473 [0,1,0,0,0,1|2,0,0]=4 3611 B14R1.3653 NC(=O)CSc1ccc(c(c1)F)CO 62a_100000747473_100011191541 [0,1,0,0,0,1|2,0,0]=4 3612 B14R1.3653 NC(=O)CSc1ccc(c(c1)F)CO 62a_100011191541_100000747473 [0,1,0,0,0,1|2,0,0]=4 3613 B14R1.3653 NC(=O)CSc1ccc(c(c1)N)CO 62a_100000718831_100000747473 [0,1,0,0,0,1|2,0,0]=4 3614 B14R1.3653 NC(=O)CSc1ccc(c(c1)N)CO 62a_100000747473_100000718831 [0,1,0,0,0,1|2,0,0]=4 3615 B14R1.3653 NC(=O)CSc1ccc(c(c1)O)C=O 62a_100000747473_100011277552 [0,1,0,0,0,1|1,0,1]=4 3616 B14R1.3653 NC(=O)CSc1ccc(c(c1)O)C=O 62a_100011277552_100000747473 [0,1,0,0,0,1|1,0,1]=4 3617 B14R1.3653 NC(=O)CSc1ccc(c(c1)O)CO 62a_100000071718_100000747473 [0,1,0,0,0,1|1,0,0]=3 3618 B14R1.3653 NC(=O)CSc1ccc(c(c1)O)CO 62a_100000747473_100000071718 [0,1,0,0,0,1|1,0,0]=3 3619 B14R1.3653 Nc1cc(ccc1CO)SCC(=O)[O-] 62a_100000718831_100020667443 [0,1,0,0,0,1|1,0,1]=4 3620 B14R1.3653 Nc1cc(ccc1CO)SCC(=O)[O-] 62a_100020667443_100000718831 [0,1,0,0,0,1|1,0,1]=4 3621 B14R1.3653 O=C([O-])CNc1ccc(c(c1)Cl)CO 34a_100000689119_100020667443 [0,1,0,0,0,1|1,0,1]=4 3622 B14R1.3653 O=C([O-])COc1ccc(c(c1)Br)CO 34a_100010146404_100020667443 [0,1,0,0,0,1|1,0,1]=4 3623 B14R1.3653 O=C([O-])COc1ccc(c(c1)Cl)CO 34a_200000075811_100020667443 [0,1,0,0,0,1|1,0,1]=4 3624 B14R1.3653 O=C([O-])COc1ccc(c(c1)F)CO 34a_100000084598_100020667443 [0,1,0,0,0,1|1,0,1]=4 3625 B14R1.3653 O=C([O-])CSc1ccc(c(c1)Br)CO 62a_100010240206_100020667443 [0,1,0,0,0,1|1,0,1]=4 3626 B14R1.3653 O=C([O-])CSc1ccc(c(c1)Br)CO 62a_100020667443_100010240206 [0,1,0,0,0,1|1,0,1]=4 3627 B14R1.3653 O=C([O-])CSc1ccc(c(c1)F)CO 62a_100011191541_100020667443 [0,1,0,0,0,1|1,0,1]=4 3628 B14R1.3653 O=C([O-])CSc1ccc(c(c1)F)CO 62a_100020667443_100011191541 [0,1,0,0,0,1|1,0,1]=4 3629 B14R1.3653 O=C([O-])CSc1ccc(c(c1)O)CO 62a_100000071718_100020667443 [0,1,0,0,0,1|0,0,1]=3 3630 B14R1.3653 O=C([O-])CSc1ccc(c(c1)O)CO 62a_100020667443_100000071718 [0,1,0,0,0,1|0,0,1]=3 3631 B14R1.3653 O=Cc1ccc(cc1O)SCC(=O)[O-] 62a_100011277552_100020667443 [0,1,0,0,0,1|0,0,2]=4 3632 B14R1.3653 O=Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100011277552 [0,1,0,0,0,1|0,0,2]=4 3633 B14R1.3653 O=[N+]([O-])CSc1ccc(c(c1)O)CO 62a_100000071718_100000761209 [0,1,0,0,0,1|1,0,1]=4 3634 B14R1.6036 Cc1cc(c(cc1NCC(=O)N)O)Cl 34a_100009961766_100000187820 [0,1,0,0,0,1|2,0,0]=4 3635 B14R1.6036 Cc1cc(c(cc1NCC(=O)N)O)Cl 7a_100009961766_100000187820 [0,1,0,0,0,1|2,0,0]=4 3636 B14R1.6036 Cc1cc(c(cc1NCC(=O)[O-])O)Cl 34a_100009961766_100020667443 [0,1,0,0,0,1|1,0,1]=4 3637 B14R1.6036 Cc1cc(c(cc1O)C)NCC(=O)N 34a_100000720036_100000187820 [0,1,0,0,0,1|2,0,0]=4 3638 B14R1.6036 Cc1cc(c(cc1O)C)NCC(=O)N 7a_100000720036_100000187820 [0,1,0,0,0,1|2,0,0]=4 3639 B14R1.6036 Cc1cc(c(cc1O)C)NCC(=O)[O-] 34a_100000720036_100020667443 [0,1,0,0,0,1|1,0,1]=4 3640 B14R1.6036 Cc1cc(c(cc1O)C)SCC(=O)N 62a_100000698207_100000747473 [0,1,0,0,0,1|2,0,0]=4 3641 B14R1.6036 Cc1cc(c(cc1O)C)SCC(=O)N 62a_100000747473_100000698207 [0,1,0,0,0,1|2,0,0]=4 3642 B14R1.6036 Cc1cc(c(cc1O)C)SCC(=O)[O-] 62a_100000698207_100020667443 [0,1,0,0,0,1|1,0,1]=4 3643 B14R1.6036 Cc1cc(c(cc1O)C)SCC(=O)[O-] 62a_100020667443_100000698207 [0,1,0,0,0,1|1,0,1]=4 3644 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)Cl 34a_100000092876_100000187820 [0,1,0,0,0,1|2,0,0]=4 3645 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)Cl 7a_100000092876_100000187820 [0,1,0,0,0,1|2,0,0]=4 3646 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)F 34a_100000117193_100000187820 [0,1,0,0,0,1|2,0,0]=4 3647 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)F 7a_100000117193_100000187820 [0,1,0,0,0,1|2,0,0]=4 3648 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)[O-])Cl 34a_100000092876_100020667443 [0,1,0,0,0,1|1,0,1]=4 3649 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)[O-])F 34a_100000117193_100020667443 [0,1,0,0,0,1|1,0,1]=4 3650 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)N)F 62a_100000747473_100014242602 [0,1,0,0,0,1|2,0,0]=4 3651 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)N)F 62a_100014242602_100000747473 [0,1,0,0,0,1|2,0,0]=4 3652 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)[O-])F 62a_100014242602_100020667443 [0,1,0,0,0,1|1,0,1]=4 3653 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)[O-])F 62a_100020667443_100014242602 [0,1,0,0,0,1|1,0,1]=4 3654 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)F)O 62a_100000747473_100012355673 [0,1,0,0,0,1|2,0,0]=4 3655 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)F)O 62a_100012355673_100000747473 [0,1,0,0,0,1|2,0,0]=4 3656 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)N)O 62a_100000747473_200010235796 [0,1,0,0,0,1|2,0,0]=4 3657 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)N)O 62a_200010235796_100000747473 [0,1,0,0,0,1|2,0,0]=4 3658 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)F 62a_100000747473_100010068922 [0,1,0,0,0,1|2,0,0]=4 3659 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)F 62a_100010068922_100000747473 [0,1,0,0,0,1|2,0,0]=4 3660 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)N 62a_100000747473_200010107346 [0,1,0,0,0,1|2,0,0]=4 3661 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)N 62a_200010107346_100000747473 [0,1,0,0,0,1|2,0,0]=4 3662 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])F)O 62a_100012355673_100020667443 [0,1,0,0,0,1|1,0,1]=4 3663 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])F)O 62a_100020667443_100012355673 [0,1,0,0,0,1|1,0,1]=4 3664 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])N)O 62a_100020667443_200010235796 [0,1,0,0,0,1|1,0,1]=4 3665 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])N)O 62a_200010235796_100020667443 [0,1,0,0,0,1|1,0,1]=4 3666 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)F 62a_100010068922_100020667443 [0,1,0,0,0,1|1,0,1]=4 3667 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)F 62a_100020667443_100010068922 [0,1,0,0,0,1|1,0,1]=4 3668 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)N 62a_100020667443_200010107346 [0,1,0,0,0,1|1,0,1]=4 3669 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)N 62a_200010107346_100020667443 [0,1,0,0,0,1|1,0,1]=4 3670 B14R1.6036 NC(=O)CNc1cc(c(cc1Br)O)Br 34a_100011080774_100000187820 [0,1,0,0,0,1|2,0,0]=4 3671 B14R1.6036 NC(=O)CNc1cc(c(cc1Br)O)Br 7a_100011080774_100000187820 [0,1,0,0,0,1|2,0,0]=4 3672 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100000187820 [0,1,0,0,0,1|2,0,0]=4 3673 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100000187820 [0,1,0,0,0,1|2,0,0]=4 3674 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100000187820 [0,1,0,0,0,1|2,0,0]=4 3675 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)O)Cl 7a_100012000071_100000187820 [0,1,0,0,0,1|2,0,0]=4 3676 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)O)F 34a_100009886023_100000187820 [0,1,0,0,0,1|2,0,0]=4 3677 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)O)F 7a_100009886023_100000187820 [0,1,0,0,0,1|2,0,0]=4 3678 B14R1.6036 NC(=O)CNc1cc(c(cc1F)Cl)O 34a_100000042052_100000187820 [0,1,0,0,0,1|2,0,0]=4 3679 B14R1.6036 NC(=O)CNc1cc(c(cc1F)Cl)O 7a_100000042052_100000187820 [0,1,0,0,0,1|2,0,0]=4 3680 B14R1.6036 NC(=O)CNc1cc(c(cc1F)F)O 34a_100011219470_100000187820 [0,1,0,0,0,1|2,0,0]=4 3681 B14R1.6036 NC(=O)CNc1cc(c(cc1F)F)O 7a_100011219470_100000187820 [0,1,0,0,0,1|2,0,0]=4 3682 B14R1.6036 NC(=O)CNc1cc(c(cc1F)O)F 34a_100020635945_100000187820 [0,1,0,0,0,1|2,0,0]=4 3683 B14R1.6036 NC(=O)CNc1cc(c(cc1F)O)F 7a_100020635945_100000187820 [0,1,0,0,0,1|2,0,0]=4 3684 B14R1.6036 NC(=O)CSc1cc(c(cc1Br)Cl)O 62a_100000747473_100021297947 [0,1,0,0,0,1|2,0,0]=4 3685 B14R1.6036 NC(=O)CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100000747473 [0,1,0,0,0,1|2,0,0]=4 3686 B14R1.6036 NC(=O)CSc1cc(c(cc1Cl)O)N 62a_100000747473_100011011175 [0,1,0,0,0,1|2,0,0]=4 3687 B14R1.6036 NC(=O)CSc1cc(c(cc1Cl)O)N 62a_100011011175_100000747473 [0,1,0,0,0,1|2,0,0]=4 3688 B14R1.6036 NC(=O)CSc1cc(c(cc1F)Cl)O 62a_100000747473_100010735246 [0,1,0,0,0,1|2,0,0]=4 3689 B14R1.6036 NC(=O)CSc1cc(c(cc1F)Cl)O 62a_100010735246_100000747473 [0,1,0,0,0,1|2,0,0]=4 3690 B14R1.6036 NC(=O)CSc1cc(c(cc1F)F)O 62a_100000747473_100012457948 [0,1,0,0,0,1|2,0,0]=4 3691 B14R1.6036 NC(=O)CSc1cc(c(cc1F)F)O 62a_100012457948_100000747473 [0,1,0,0,0,1|2,0,0]=4 3692 B14R1.6036 NC(=O)CSc1cc(c(cc1F)N)O 62a_100000747473_100013038943 [0,1,0,0,0,1|2,0,0]=4 3693 B14R1.6036 NC(=O)CSc1cc(c(cc1F)N)O 62a_100013038943_100000747473 [0,1,0,0,0,1|2,0,0]=4 3694 B14R1.6036 NC(=O)CSc1cc(c(cc1F)O)F 62a_100000747473_100011830439 [0,1,0,0,0,1|2,0,0]=4 3695 B14R1.6036 NC(=O)CSc1cc(c(cc1F)O)F 62a_100011830439_100000747473 [0,1,0,0,0,1|2,0,0]=4 3696 B14R1.6036 NC(=O)CSc1cc(c(cc1F)O)N 62a_100000747473_100012359894 [0,1,0,0,0,1|2,0,0]=4 3697 B14R1.6036 NC(=O)CSc1cc(c(cc1F)O)N 62a_100012359894_100000747473 [0,1,0,0,0,1|2,0,0]=4 3698 B14R1.6036 Nc1cc(c(cc1O)Cl)SCC(=O)[O-] 62a_100011011175_100020667443 [0,1,0,0,0,1|1,0,1]=4 3699 B14R1.6036 Nc1cc(c(cc1O)Cl)SCC(=O)[O-] 62a_100020667443_100011011175 [0,1,0,0,0,1|1,0,1]=4 3700 B14R1.6036 Nc1cc(c(cc1O)F)SCC(=O)[O-] 62a_100012359894_100020667443 [0,1,0,0,0,1|1,0,1]=4 3701 B14R1.6036 Nc1cc(c(cc1O)F)SCC(=O)[O-] 62a_100020667443_100012359894 [0,1,0,0,0,1|1,0,1]=4 3702 B14R1.6036 Nc1cc(c(cc1O)SCC(=O)[O-])F 62a_100013038943_100020667443 [0,1,0,0,0,1|1,0,1]=4 3703 B14R1.6036 Nc1cc(c(cc1O)SCC(=O)[O-])F 62a_100020667443_100013038943 [0,1,0,0,0,1|1,0,1]=4 3704 B14R1.6036 O=C([O-])CNc1cc(c(cc1Br)O)Br 34a_100011080774_100020667443 [0,1,0,0,0,1|1,0,1]=4 3705 B14R1.6036 O=C([O-])CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100020667443 [0,1,0,0,0,1|1,0,1]=4 3706 B14R1.6036 O=C([O-])CNc1cc(c(cc1Cl)O)Cl 34a_100012000071_100020667443 [0,1,0,0,0,1|1,0,1]=4 3707 B14R1.6036 O=C([O-])CNc1cc(c(cc1Cl)O)F 34a_100009886023_100020667443 [0,1,0,0,0,1|1,0,1]=4 3708 B14R1.6036 O=C([O-])CNc1cc(c(cc1F)Cl)O 34a_100000042052_100020667443 [0,1,0,0,0,1|1,0,1]=4 3709 B14R1.6036 O=C([O-])CNc1cc(c(cc1F)F)O 34a_100011219470_100020667443 [0,1,0,0,0,1|1,0,1]=4 3710 B14R1.6036 O=C([O-])CNc1cc(c(cc1F)O)F 34a_100020635945_100020667443 [0,1,0,0,0,1|1,0,1]=4 3711 B14R1.6036 O=C([O-])CSc1cc(c(cc1Br)Cl)O 62a_100020667443_100021297947 [0,1,0,0,0,1|1,0,1]=4 3712 B14R1.6036 O=C([O-])CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100020667443 [0,1,0,0,0,1|1,0,1]=4 3713 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)Cl)O 62a_100010735246_100020667443 [0,1,0,0,0,1|1,0,1]=4 3714 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)Cl)O 62a_100020667443_100010735246 [0,1,0,0,0,1|1,0,1]=4 3715 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)F)O 62a_100012457948_100020667443 [0,1,0,0,0,1|1,0,1]=4 3716 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)F)O 62a_100020667443_100012457948 [0,1,0,0,0,1|1,0,1]=4 3717 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)O)F 62a_100011830439_100020667443 [0,1,0,0,0,1|1,0,1]=4 3718 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)O)F 62a_100020667443_100011830439 [0,1,0,0,0,1|1,0,1]=4 3719 B14R1.6059 Cc1c(ccc(c1C)NCC(=O)N)O 34a_200011216674_100000187820 [0,1,0,0,0,1|2,0,0]=4 3720 B14R1.6059 Cc1c(ccc(c1C)NCC(=O)N)O 7a_200011216674_100000187820 [0,1,0,0,0,1|2,0,0]=4 3721 B14R1.6059 Cc1c(ccc(c1C)NCC(=O)[O-])O 34a_200011216674_100020667443 [0,1,0,0,0,1|1,0,1]=4 3722 B14R1.6059 Cc1c(ccc(c1C)SCC(=O)N)O 62a_100000747473_100012353674 [0,1,0,0,0,1|2,0,0]=4 3723 B14R1.6059 Cc1c(ccc(c1C)SCC(=O)N)O 62a_100012353674_100000747473 [0,1,0,0,0,1|2,0,0]=4 3724 B14R1.6059 Cc1c(ccc(c1C)SCC(=O)[O-])O 62a_100012353674_100020667443 [0,1,0,0,0,1|1,0,1]=4 3725 B14R1.6059 Cc1c(ccc(c1C)SCC(=O)[O-])O 62a_100020667443_100012353674 [0,1,0,0,0,1|1,0,1]=4 3726 B14R1.6059 Cc1c(ccc(c1F)NCC(=O)N)O 34a_200000126710_100000187820 [0,1,0,0,0,1|2,0,0]=4 3727 B14R1.6059 Cc1c(ccc(c1F)NCC(=O)N)O 7a_200000126710_100000187820 [0,1,0,0,0,1|2,0,0]=4 3728 B14R1.6059 Cc1c(ccc(c1F)NCC(=O)[O-])O 34a_200000126710_100020667443 [0,1,0,0,0,1|1,0,1]=4 3729 B14R1.6059 Cc1c(ccc(c1F)SCC(=O)N)O 62a_100000747473_100010390934 [0,1,0,0,0,1|2,0,0]=4 3730 B14R1.6059 Cc1c(ccc(c1F)SCC(=O)N)O 62a_100010390934_100000747473 [0,1,0,0,0,1|2,0,0]=4 3731 B14R1.6059 Cc1c(ccc(c1F)SCC(=O)[O-])O 62a_100010390934_100020667443 [0,1,0,0,0,1|1,0,1]=4 3732 B14R1.6059 Cc1c(ccc(c1F)SCC(=O)[O-])O 62a_100020667443_100010390934 [0,1,0,0,0,1|1,0,1]=4 3733 B14R1.6059 Cc1c(ccc(c1N)O)SCC(=O)N 62a_100000747473_100013039247 [0,1,0,0,0,1|2,0,0]=4 3734 B14R1.6059 Cc1c(ccc(c1N)O)SCC(=O)N 62a_100013039247_100000747473 [0,1,0,0,0,1|2,0,0]=4 3735 B14R1.6059 Cc1c(ccc(c1N)O)SCC(=O)[O-] 62a_100013039247_100020667443 [0,1,0,0,0,1|1,0,1]=4 3736 B14R1.6059 Cc1c(ccc(c1N)O)SCC(=O)[O-] 62a_100020667443_100013039247 [0,1,0,0,0,1|1,0,1]=4 3737 B14R1.6059 Cc1ccc(c(c1O)Cl)NCC(=O)N 34a_100000036876_100000187820 [0,1,0,0,0,1|2,0,0]=4 3738 B14R1.6059 Cc1ccc(c(c1O)Cl)NCC(=O)N 7a_100000036876_100000187820 [0,1,0,0,0,1|2,0,0]=4 3739 B14R1.6059 Cc1ccc(c(c1O)Cl)NCC(=O)[O-] 34a_100000036876_100020667443 [0,1,0,0,0,1|1,0,1]=4 3740 B14R1.6059 NC(=O)CNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100000187820 [0,1,0,0,0,1|2,0,0]=4 3741 B14R1.6059 NC(=O)CNc1ccc(c(c1Cl)Cl)O 7a_100012017499_100000187820 [0,1,0,0,0,1|2,0,0]=4 3742 B14R1.6059 NC(=O)CNc1ccc(c(c1F)Cl)O 34a_200000098347_100000187820 [0,1,0,0,0,1|2,0,0]=4 3743 B14R1.6059 NC(=O)CNc1ccc(c(c1F)Cl)O 7a_200000098347_100000187820 [0,1,0,0,0,1|2,0,0]=4 3744 B14R1.6059 NC(=O)CNc1ccc(c(c1F)F)O 34a_100015204651_100000187820 [0,1,0,0,0,1|2,0,0]=4 3745 B14R1.6059 NC(=O)CNc1ccc(c(c1F)F)O 7a_100015204651_100000187820 [0,1,0,0,0,1|2,0,0]=4 3746 B14R1.6059 NC(=O)CSc1ccc(c(c1F)F)O 62a_100000747473_100011830415 [0,1,0,0,0,1|2,0,0]=4 3747 B14R1.6059 NC(=O)CSc1ccc(c(c1F)F)O 62a_100011830415_100000747473 [0,1,0,0,0,1|2,0,0]=4 3748 B14R1.6059 NC(=O)CSc1ccc(c(c1F)O)Br 62a_100000747473_200010782288 [0,1,0,0,0,1|2,0,0]=4 3749 B14R1.6059 NC(=O)CSc1ccc(c(c1F)O)Br 62a_200010782288_100000747473 [0,1,0,0,0,1|2,0,0]=4 3750 B14R1.6059 NC(=O)CSc1ccc(c(c1F)O)F 62a_100000747473_100010167067 [0,1,0,0,0,1|2,0,0]=4 3751 B14R1.6059 NC(=O)CSc1ccc(c(c1F)O)F 62a_100010167067_100000747473 [0,1,0,0,0,1|2,0,0]=4 3752 B14R1.6059 NC(=O)CSc1ccc(c(c1N)O)Br 62a_100020748643_100000747473 [0,1,0,0,0,1|2,0,0]=4 3753 B14R1.6059 Nc1c(ccc(c1O)Br)SCC(=O)[O-] 62a_100020748643_100020667443 [0,1,0,0,0,1|1,0,1]=4 3754 B14R1.6059 O=C([O-])CNc1ccc(c(c1Cl)Cl)O 34a_100012017499_100020667443 [0,1,0,0,0,1|1,0,1]=4 3755 B14R1.6059 O=C([O-])CNc1ccc(c(c1F)Cl)O 34a_200000098347_100020667443 [0,1,0,0,0,1|1,0,1]=4 3756 B14R1.6059 O=C([O-])CNc1ccc(c(c1F)F)O 34a_100015204651_100020667443 [0,1,0,0,0,1|1,0,1]=4 3757 B14R1.6059 O=C([O-])CSc1ccc(c(c1F)F)O 62a_100011830415_100020667443 [0,1,0,0,0,1|1,0,1]=4 3758 B14R1.6059 O=C([O-])CSc1ccc(c(c1F)F)O 62a_100020667443_100011830415 [0,1,0,0,0,1|1,0,1]=4 3759 B14R1.6059 O=C([O-])CSc1ccc(c(c1F)O)Br 62a_100020667443_200010782288 [0,1,0,0,0,1|1,0,1]=4 3760 B14R1.6059 O=C([O-])CSc1ccc(c(c1F)O)Br 62a_200010782288_100020667443 [0,1,0,0,0,1|1,0,1]=4 3761 B14R1.6059 O=C([O-])CSc1ccc(c(c1F)O)F 62a_100010167067_100020667443 [0,1,0,0,0,1|1,0,1]=4 3762 B14R1.6059 O=C([O-])CSc1ccc(c(c1F)O)F 62a_100020667443_100010167067 [0,1,0,0,0,1|1,0,1]=4 3763 B14R1.15552 C=C(C)CSc1cc(c(c(c1)F)O)O 62a_100000748629_100010114375 [0,1,0,0,0,1|2,0,0]=4 3764 B14R1.15552 C=C(C)CSc1cc(c(c(c1)O)O)O 62a_100000748629_100010658518 [0,1,0,0,0,1|2,0,0]=4 3765 B14R1.15552 C=C(F)CSc1cc(c(c(c1)F)O)O 62a_100000042424_100010114375 [0,1,0,0,0,1|2,0,0]=4 3766 B14R1.15552 C=C(F)CSc1cc(c(c(c1)O)O)O 62a_100000042424_100010658518 [0,1,0,0,0,1|2,0,0]=4 3767 B14R1.15552 CC(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200000210301 [0,1,0,0,0,1|2,0,0]=4 3768 B14R1.15552 CC(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200000210301 [0,1,0,0,0,1|2,0,0]=4 3769 B14R1.15552 CC(O)CSc1cc(c(c(c1)F)O)O 62a_100011218427_100010114375 [0,1,0,0,0,1|1,0,1]=4 3770 B14R1.15552 CC(O)CSc1cc(c(c(c1)O)O)O 62a_100011218427_100010658518 [0,1,0,0,0,1|1,0,1]=4 3771 B14R1.15552 C[C@@H](O)CSc1cc(c(c(c1)F)O)O 62a_100009817552_100010114375 [0,1,0,0,0,1|1,0,1]=4 3772 B14R1.15552 C[C@@H](O)CSc1cc(c(c(c1)O)O)O 62a_100009817552_100010658518 [0,1,0,0,0,1|1,0,1]=4 3773 B14R1.15552 Cc1cc(cc(c1N)O)SCC(=O)N 62a_100000747473_100010371313 [0,1,0,0,0,1|2,0,0]=4 3774 B14R1.15552 Cc1cc(cc(c1N)O)SCC(=O)N 62a_100010371313_100000747473 [0,1,0,0,0,1|2,0,0]=4 3775 B14R1.15552 Cc1cc(cc(c1N)O)SCC(=O)[O-] 62a_100010371313_100020667443 [0,1,0,0,0,1|1,0,1]=4 3776 B14R1.15552 Cc1cc(cc(c1N)O)SCC(=O)[O-] 62a_100020667443_100010371313 [0,1,0,0,0,1|1,0,1]=4 3777 B14R1.15552 Cc1cc(cc(c1O)Br)NCC(=O)N 34a_100010064301_100000187820 [0,1,0,0,0,1|2,0,0]=4 3778 B14R1.15552 Cc1cc(cc(c1O)Br)NCC(=O)N 7a_100010064301_100000187820 [0,1,0,0,0,1|2,0,0]=4 3779 B14R1.15552 Cc1cc(cc(c1O)Br)NCC(=O)[O-] 34a_100010064301_100020667443 [0,1,0,0,0,1|1,0,1]=4 3780 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)N 62a_100000747473_100010982682 [0,1,0,0,0,1|2,0,0]=4 3781 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)N 62a_100010982682_100000747473 [0,1,0,0,0,1|2,0,0]=4 3782 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)[O-] 62a_100010982682_100020667443 [0,1,0,0,0,1|1,0,1]=4 3783 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)[O-] 62a_100020667443_100010982682 [0,1,0,0,0,1|1,0,1]=4 3784 B14R1.15552 Cc1cc(cc(c1O)C)NCC(=O)N 34a_100000703291_100000187820 [0,1,0,0,0,1|2,0,0]=4 3785 B14R1.15552 Cc1cc(cc(c1O)C)NCC(=O)N 7a_100000703291_100000187820 [0,1,0,0,0,1|2,0,0]=4 3786 B14R1.15552 Cc1cc(cc(c1O)C)NCC(=O)[O-] 34a_100000703291_100020667443 [0,1,0,0,0,1|1,0,1]=4 3787 B14R1.15552 Cc1cc(cc(c1O)C)SCC(=O)N 62a_100000747473_100011216129 [0,1,0,0,0,1|2,0,0]=4 3788 B14R1.15552 Cc1cc(cc(c1O)C)SCC(=O)N 62a_100011216129_100000747473 [0,1,0,0,0,1|2,0,0]=4 3789 B14R1.15552 Cc1cc(cc(c1O)C)SCC(=O)[O-] 62a_100011216129_100020667443 [0,1,0,0,0,1|1,0,1]=4 3790 B14R1.15552 Cc1cc(cc(c1O)C)SCC(=O)[O-] 62a_100020667443_100011216129 [0,1,0,0,0,1|1,0,1]=4 3791 B14R1.15552 Cc1cc(cc(c1O)Cl)SCC(=O)N 62a_100000747473_200015900153 [0,1,0,0,0,1|2,0,0]=4 3792 B14R1.15552 Cc1cc(cc(c1O)Cl)SCC(=O)N 62a_200015900153_100000747473 [0,1,0,0,0,1|2,0,0]=4 3793 B14R1.15552 Cc1cc(cc(c1O)Cl)SCC(=O)[O-] 62a_100020667443_200015900153 [0,1,0,0,0,1|1,0,1]=4 3794 B14R1.15552 Cc1cc(cc(c1O)Cl)SCC(=O)[O-] 62a_200015900153_100020667443 [0,1,0,0,0,1|1,0,1]=4 3795 B14R1.15552 Cc1cc(cc(c1O)N)SCC(=O)N 62a_100000747473_100011825904 [0,1,0,0,0,1|2,0,0]=4 3796 B14R1.15552 Cc1cc(cc(c1O)N)SCC(=O)N 62a_100011825904_100000747473 [0,1,0,0,0,1|2,0,0]=4 3797 B14R1.15552 Cc1cc(cc(c1O)N)SCC(=O)[O-] 62a_100011825904_100020667443 [0,1,0,0,0,1|1,0,1]=4 3798 B14R1.15552 Cc1cc(cc(c1O)N)SCC(=O)[O-] 62a_100020667443_100011825904 [0,1,0,0,0,1|1,0,1]=4 3799 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000187820 [0,1,0,0,0,1|2,0,0]=4 3800 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100000187820 [0,1,0,0,0,1|2,0,0]=4 3801 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Cl)Cl)O 7a_100015839415_100000187820 [0,1,0,0,0,1|2,0,0]=4 3802 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Cl)O)Cl 34a_100000695418_100000187820 [0,1,0,0,0,1|2,0,0]=4 3803 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Cl)O)Cl 7a_100000695418_100000187820 [0,1,0,0,0,1|2,0,0]=4 3804 B14R1.15552 NC(=O)CNc1cc(c(c(c1)F)O)F 34a_100016987357_100000187820 [0,1,0,0,0,1|2,0,0]=4 3805 B14R1.15552 NC(=O)CNc1cc(c(c(c1)F)O)F 7a_100016987357_100000187820 [0,1,0,0,0,1|2,0,0]=4 3806 B14R1.15552 NC(=O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100000747473_100012339652 [0,1,0,0,0,1|2,0,0]=4 3807 B14R1.15552 NC(=O)CSc1cc(c(c(c1)Cl)O)Cl 62a_100012339652_100000747473 [0,1,0,0,0,1|2,0,0]=4 3808 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)F)O 62a_100000709865_100000747473 [0,1,0,0,0,1|2,0,0]=4 3809 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)F)O 62a_100000747473_100000709865 [0,1,0,0,0,1|2,0,0]=4 3810 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)N)O 62a_100000747473_100015475841 [0,1,0,0,0,1|2,0,0]=4 3811 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)N)O 62a_100015475841_100000747473 [0,1,0,0,0,1|2,0,0]=4 3812 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)O)F 62a_100000747473_100011216917 [0,1,0,0,0,1|2,0,0]=4 3813 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)O)F 62a_100011216917_100000747473 [0,1,0,0,0,1|2,0,0]=4 3814 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)O)N 62a_100000747473_100011217383 [0,1,0,0,0,1|2,0,0]=4 3815 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)O)N 62a_100011217383_100000747473 [0,1,0,0,0,1|2,0,0]=4 3816 B14R1.15552 NC(=O)CSc1cc(c(c(c1)F)O)O 62a_100000747473_100010114375 [0,1,0,0,0,1|1,0,0]=3 3817 B14R1.15552 NC(=O)CSc1cc(c(c(c1)O)O)O 62a_100000747473_100010658518 [0,1,0,0,0,1|1,0,0]=3 3818 B14R1.15552 Nc1c(cc(cc1F)SCC(=O)[O-])O 62a_100015475841_100020667443 [0,1,0,0,0,1|1,0,1]=4 3819 B14R1.15552 Nc1c(cc(cc1F)SCC(=O)[O-])O 62a_100020667443_100015475841 [0,1,0,0,0,1|1,0,1]=4 3820 B14R1.15552 Nc1cc(cc(c1O)F)SCC(=O)[O-] 62a_100011217383_100020667443 [0,1,0,0,0,1|1,0,1]=4 3821 B14R1.15552 Nc1cc(cc(c1O)F)SCC(=O)[O-] 62a_100020667443_100011217383 [0,1,0,0,0,1|1,0,1]=4 3822 B14R1.15552 O=C([O-])CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100020667443 [0,1,0,0,0,1|1,0,1]=4 3823 B14R1.15552 O=C([O-])CNc1cc(c(c(c1)Cl)Cl)O 34a_100015839415_100020667443 [0,1,0,0,0,1|1,0,1]=4 3824 B14R1.15552 O=C([O-])CNc1cc(c(c(c1)Cl)O)Cl 34a_100000695418_100020667443 [0,1,0,0,0,1|1,0,1]=4 3825 B14R1.15552 O=C([O-])CNc1cc(c(c(c1)F)O)F 34a_100016987357_100020667443 [0,1,0,0,0,1|1,0,1]=4 3826 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)Cl)O)Cl 62a_100012339652_100020667443 [0,1,0,0,0,1|1,0,1]=4 3827 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)Cl)O)Cl 62a_100020667443_100012339652 [0,1,0,0,0,1|1,0,1]=4 3828 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)F)F)O 62a_100000709865_100020667443 [0,1,0,0,0,1|1,0,1]=4 3829 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)F)F)O 62a_100020667443_100000709865 [0,1,0,0,0,1|1,0,1]=4 3830 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)F)O)F 62a_100011216917_100020667443 [0,1,0,0,0,1|1,0,1]=4 3831 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)F)O)F 62a_100020667443_100011216917 [0,1,0,0,0,1|1,0,1]=4 3832 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)F)O)O 62a_100020667443_100010114375 [0,1,0,0,0,1|0,0,1]=3 3833 B14R1.15552 O=C([O-])CSc1cc(c(c(c1)O)O)O 62a_100020667443_100010658518 [0,1,0,0,0,1|0,0,1]=3 3834 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200025704644 [0,1,0,0,0,1|2,0,0]=4 3835 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200025704644 [0,1,0,0,0,1|2,0,0]=4 3836 B14R1.140 CC(=O)Cc1ccc(c(c1)Br)OCF 34a_100010141077_100015361967 [0,2,0,0,0,0|2,0,0]=4 3837 B14R1.140 CC(=O)Cc1ccc(c(c1)Br)OCF 7a_100010141077_100015361967 [0,2,0,0,0,0|2,0,0]=4 3838 B14R1.140 CC(=O)Cc1ccc(c(c1)C)OCF 34a_200000080089_100015361967 [0,2,0,0,0,0|2,0,0]=4 3839 B14R1.140 CC(=O)Cc1ccc(c(c1)C)OCF 7a_200000080089_100015361967 [0,2,0,0,0,0|2,0,0]=4 3840 B14R1.140 CC(=O)Cc1ccc(c(c1)Cl)OCF 34a_200000080078_100015361967 [0,2,0,0,0,0|2,0,0]=4 3841 B14R1.140 CC(=O)Cc1ccc(c(c1)Cl)OCF 7a_200000080078_100015361967 [0,2,0,0,0,0|2,0,0]=4 3842 B14R1.140 CCOc1ccc(cc1Br)CC(=O)C 34a_100010141077_100000210202 [0,2,0,0,0,0|2,0,0]=4 3843 B14R1.140 CCOc1ccc(cc1Br)CC(=O)C 7a_100010141077_100000210202 [0,2,0,0,0,0|2,0,0]=4 3844 B14R1.140 CCOc1ccc(cc1C)CC(=O)C 34a_200000080089_100000210202 [0,2,0,0,0,0|2,0,0]=4 3845 B14R1.140 CCOc1ccc(cc1C)CC(=O)C 7a_200000080089_100000210202 [0,2,0,0,0,0|2,0,0]=4 3846 B14R1.140 CCOc1ccc(cc1Cl)CC(=O)C 34a_200000080078_100000210202 [0,2,0,0,0,0|2,0,0]=4 3847 B14R1.140 CCOc1ccc(cc1Cl)CC(=O)C 7a_200000080078_100000210202 [0,2,0,0,0,0|2,0,0]=4 3848 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000211873_200011397701 [0,2,0,0,0,0|2,0,0]=4 3849 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)C)OC 1458a_100000211873_200011290836 [0,2,0,0,0,0|2,0,0]=4 3850 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000211873_100000693707 [0,2,0,0,0,0|2,0,0]=4 3851 B14R1.3276 C#CC(=O)Cc1ccc(c(c1)F)OC 1458a_100000211873_100000189595 [0,2,0,0,0,0|2,0,0]=4 3852 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000185746_200011397701 [0,2,0,0,0,0|2,0,0]=4 3853 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)C)OC 1458a_100000185746_200011290836 [0,2,0,0,0,0|2,0,0]=4 3854 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000185746_100000693707 [0,2,0,0,0,0|2,0,0]=4 3855 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)F)OC 1458a_100000185746_100000189595 [0,2,0,0,0,0|2,0,0]=4 3856 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000185746 [0,2,0,0,0,0|2,0,0]=4 3857 B14R1.3276 C=Cc1ccc(cc1F)CC(=O)OC 271570a_100011290941_100010371902 [0,2,0,0,0,0|2,0,0]=4 3858 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000210414_200011397701 [0,2,0,0,0,0|2,0,0]=4 3859 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Br)OC 1458a_100011202338_100000210202 [0,2,0,0,0,0|2,0,0]=4 3860 B14R1.3276 CCC(=O)Cc1ccc(c(c1)C)OC 1458a_100000210414_200011290836 [0,2,0,0,0,0|2,0,0]=4 3861 B14R1.3276 CCC(=O)Cc1ccc(c(c1)C)OC 1458a_100011356478_100000210202 [0,2,0,0,0,0|2,0,0]=4 3862 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000210414_100000693707 [0,2,0,0,0,0|2,0,0]=4 3863 B14R1.3276 CCC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100012026953_100000210202 [0,2,0,0,0,0|2,0,0]=4 3864 B14R1.3276 CCC(=O)Cc1ccc(c(c1)F)OC 1458a_100000204603_100000210202 [0,2,0,0,0,0|2,0,0]=4 3865 B14R1.3276 CCC(=O)Cc1ccc(c(c1)F)OC 1458a_100000210414_100000189595 [0,2,0,0,0,0|2,0,0]=4 3866 B14R1.3276 CCC(=O)Cc1ccc(c(c1)O)OC 1458a_100000049095_100000210202 [0,2,0,0,0,0|1,0,0]=3 3867 B14R1.3276 CCC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000210414 [0,2,0,0,0,0|2,0,0]=4 3868 B14R1.3276 CCC(=O)Nc1ccc(c(c1)O)OC 527a_100000211920_100000210414 [0,2,0,0,0,0|2,0,0]=4 3869 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 11a_106832991635_100011202338 [0,2,0,0,0,0|2,0,0]=4 3870 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 1626a_100102657272_100011202338 [0,2,0,0,0,0|2,0,0]=4 3871 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 240690a_100102657272_100011202338 [0,2,0,0,0,0|2,0,0]=4 3872 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Br)OC 527a_100102657272_100011202338 [0,2,0,0,0,0|2,0,0]=4 3873 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 11a_106832991635_100011356478 [0,2,0,0,0,0|2,0,0]=4 3874 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 1626a_100102657272_100011356478 [0,2,0,0,0,0|2,0,0]=4 3875 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 240690a_100102657272_100011356478 [0,2,0,0,0,0|2,0,0]=4 3876 B14R1.3276 CNC(=O)Cc1ccc(c(c1)C)OC 527a_100102657272_100011356478 [0,2,0,0,0,0|2,0,0]=4 3877 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 11a_106832991635_100012026953 [0,2,0,0,0,0|2,0,0]=4 3878 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 1626a_100102657272_100012026953 [0,2,0,0,0,0|2,0,0]=4 3879 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 240690a_100102657272_100012026953 [0,2,0,0,0,0|2,0,0]=4 3880 B14R1.3276 CNC(=O)Cc1ccc(c(c1)Cl)OC 527a_100102657272_100012026953 [0,2,0,0,0,0|2,0,0]=4 3881 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 11a_106832991635_100000204603 [0,2,0,0,0,0|2,0,0]=4 3882 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 1626a_100102657272_100000204603 [0,2,0,0,0,0|2,0,0]=4 3883 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 240690a_100102657272_100000204603 [0,2,0,0,0,0|2,0,0]=4 3884 B14R1.3276 CNC(=O)Cc1ccc(c(c1)F)OC 527a_100102657272_100000204603 [0,2,0,0,0,0|2,0,0]=4 3885 B14R1.3276 CNC(=O)Cc1ccc(c(c1)O)OC 240690a_100102657272_100000049095 [0,2,0,0,0,0|1,0,0]=3 3886 B14R1.3276 CNC(=O)Cc1ccc(c(c1)O)OC 527a_100102657272_100000049095 [0,2,0,0,0,0|1,0,0]=3 3887 B14R1.3276 CNC(=O)Nc1ccc(c(c1)O)OC 2430a_100000211920_100102657272 [0,2,0,0,0,0|2,0,0]=4 3888 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)OC 34a_100010222482_200000210301 [0,2,0,0,0,0|1,0,0]=3 3889 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)OC 7a_100010222482_200000210301 [0,2,0,0,0,0|1,0,0]=3 3890 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010222482_200025704644 [0,2,0,0,0,0|1,0,0]=3 3891 B14R1.3276 COC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010222482_200025704644 [0,2,0,0,0,0|1,0,0]=3 3892 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)OC 34a_100000087474_200000210301 [0,2,0,0,0,0|1,0,0]=3 3893 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)OC 7a_100000087474_200000210301 [0,2,0,0,0,0|1,0,0]=3 3894 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_100000087474_200025704644 [0,2,0,0,0,0|1,0,0]=3 3895 B14R1.3276 COC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_100000087474_200025704644 [0,2,0,0,0,0|1,0,0]=3 3896 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)OC 34a_100009994800_200000210301 [0,2,0,0,0,0|1,0,0]=3 3897 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)OC 7a_100009994800_200000210301 [0,2,0,0,0,0|1,0,0]=3 3898 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_100009994800_200025704644 [0,2,0,0,0,0|1,0,0]=3 3899 B14R1.3276 COC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_100009994800_200025704644 [0,2,0,0,0,0|1,0,0]=3 3900 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)OC 34a_100000699185_200000210301 [0,2,0,0,0,0|1,0,0]=3 3901 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)OC 7a_100000699185_200000210301 [0,2,0,0,0,0|1,0,0]=3 3902 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)O[13CH3] 34a_100000699185_200025704644 [0,2,0,0,0,0|1,0,0]=3 3903 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)O[13CH3] 7a_100000699185_200025704644 [0,2,0,0,0,0|1,0,0]=3 3904 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)SC 62a_100010371902_200000210301 [0,2,0,0,0,0|1,1,0]=4 3905 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)SC 62a_200000210301_100010371902 [0,2,0,0,0,0|1,1,0]=4 3906 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)S[13CH3] 62a_100010371902_200025704644 [0,2,0,0,0,0|1,1,0]=4 3907 B14R1.3276 COC(=O)Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010371902 [0,2,0,0,0,0|1,1,0]=4 3908 B14R1.3276 COC(=O)Cc1ccc(c(c1)N)OC 34a_100000067991_200000210301 [0,2,0,0,0,0|1,0,0]=3 3909 B14R1.3276 COC(=O)Cc1ccc(c(c1)N)O[13CH3] 34a_100000067991_200025704644 [0,2,0,0,0,0|1,0,0]=3 3910 B14R1.3276 COC(=O)Cc1ccc(c(c1)O)OC 271570a_203496583355_200012357789 [0,2,0,0,0,0|0,0,0]=2 3911 B14R1.3276 COc1ccc(cc1Br)CC(=O)CF 1458a_100011202338_100015361967 [0,2,0,0,0,0|2,0,0]=4 3912 B14R1.3276 COc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_200011397701 [0,2,0,0,0,0|1,0,0]=3 3913 B14R1.3276 COc1ccc(cc1Br)NC(=O)CO 22a_100000187427_100000210174 [0,2,0,0,0,0|2,0,0]=4 3914 B14R1.3276 COc1ccc(cc1Br)NC(=O)CO 527a_100000187427_100000210174 [0,2,0,0,0,0|2,0,0]=4 3915 B14R1.3276 COc1ccc(cc1C)CC(=O)CF 1458a_100011356478_100015361967 [0,2,0,0,0,0|2,0,0]=4 3916 B14R1.3276 COc1ccc(cc1C)CC(=O)CO 1458a_100000210174_200011290836 [0,2,0,0,0,0|1,0,0]=3 3917 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 22a_100000743268_100000210174 [0,2,0,0,0,0|2,0,0]=4 3918 B14R1.3276 COc1ccc(cc1C)NC(=O)CO 527a_100000743268_100000210174 [0,2,0,0,0,0|2,0,0]=4 3919 B14R1.3276 COc1ccc(cc1Cl)CC(=O)CF 1458a_100012026953_100015361967 [0,2,0,0,0,0|2,0,0]=4 3920 B14R1.3276 COc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100000693707 [0,2,0,0,0,0|1,0,0]=3 3921 B14R1.3276 COc1ccc(cc1Cl)NC(=O)CO 22a_100000211044_100000210174 [0,2,0,0,0,0|2,0,0]=4 3922 B14R1.3276 COc1ccc(cc1Cl)NC(=O)CO 527a_100000211044_100000210174 [0,2,0,0,0,0|2,0,0]=4 3923 B14R1.3276 COc1ccc(cc1F)CC(=O)CF 1458a_100000204603_100015361967 [0,2,0,0,0,0|2,0,0]=4 3924 B14R1.3276 COc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100000189595 [0,2,0,0,0,0|1,0,0]=3 3925 B14R1.3276 COc1ccc(cc1F)NC(=O)CO 22a_100000740183_100000210174 [0,2,0,0,0,0|2,0,0]=4 3926 B14R1.3276 COc1ccc(cc1F)NC(=O)CO 527a_100000740183_100000210174 [0,2,0,0,0,0|2,0,0]=4 3927 B14R1.3276 COc1ccc(cc1I)NC(=O)CO 22a_100011356947_100000210174 [0,2,0,0,0,0|2,0,0]=4 3928 B14R1.3276 COc1ccc(cc1I)NC(=O)CO 527a_100011356947_100000210174 [0,2,0,0,0,0|2,0,0]=4 3929 B14R1.3276 COc1ccc(cc1O)CC(=O)CF 1458a_100000049095_100015361967 [0,2,0,0,0,0|1,0,0]=3 3930 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 22a_100000211920_100000210174 [0,2,0,0,0,0|1,0,0]=3 3931 B14R1.3276 COc1ccc(cc1O)NC(=O)CO 527a_100000211920_100000210174 [0,2,0,0,0,0|1,0,0]=3 3932 B14R1.3276 COc1coc(cc1=O)CC(=O)CO 1458a_100000210174_100000081511 [0,2,0,0,0,0|1,0,1]=4 3933 B14R1.3276 Cc1cc(ccc1CO)NC(=O)CO 22a_100000102464_100000210174 [0,2,0,0,0,0|2,0,0]=4 3934 B14R1.3276 N#Cc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_100012355662 [0,2,0,0,0,0|2,0,0]=4 3935 B14R1.3276 N#Cc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100010147163 [0,2,0,0,0,0|2,0,0]=4 3936 B14R1.3276 N#Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100011217145 [0,2,0,0,0,0|2,0,0]=4 3937 B14R1.3276 O=C(CO)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000210174 [0,2,0,0,0,0|2,0,0]=4 3938 B14R1.3276 O=Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100010142638 [0,2,0,0,0,0|1,0,1]=4 3939 B14R1.3651 C=Cc1cc(ccc1OC)CC(=O)C 271570a_100011290941_100011493462 [0,2,0,0,0,0|2,0,0]=4 3940 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [0,2,0,0,0,0|2,0,0]=4 3941 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,2,0,0,0,0|1,0,0]=3 3942 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,2,0,0,0,0|1,0,0]=3 3943 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,2,0,0,0,0|1,0,0]=3 3944 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,2,0,0,0,0|1,0,0]=3 3945 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,2,0,0,0,0|2,0,0]=4 3946 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,2,0,0,0,0|2,0,0]=4 3947 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,2,0,0,0,0|2,0,0]=4 3948 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,2,0,0,0,0|2,0,0]=4 3949 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,2,0,0,0,0|1,1,0]=4 3950 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,2,0,0,0,0|1,1,0]=4 3951 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,2,0,0,0,0|1,1,0]=4 3952 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,2,0,0,0,0|1,1,0]=4 3953 B14R1.3662 COc1ccc(c(c1F)F)CC(=O)C 1458a_100000062200_200000210301 [0,2,0,0,0,0|2,0,0]=4 3954 B14R1.3662 COc1ccc(c(c1F)F)CC(=O)C 1458a_100000070787_100009814551 [0,2,0,0,0,0|2,0,0]=4 3955 B14R1.3662 COc1ccc(c(c1F)F)CC(=O)[13CH3] 1458a_100000062200_200025704644 [0,2,0,0,0,0|2,0,0]=4 3956 B14R1.5801 CC(=O)Cc1ccc(c(c1)O)[N+](=O)[O-] 1458a_100009873053_200000210301 [0,2,0,0,0,0|1,0,1]=4 3957 B14R1.5801 [13CH3]C(=O)Cc1ccc(c(c1)O)[N+](=O)[O-] 1458a_100009873053_200025704644 [0,2,0,0,0,0|1,0,1]=4 3958 B14R1.12535 CC(=O)Cc1cc(c(c(c1)C)O[13CH3])C 34a_200000080086_200025704644 [0,2,0,0,0,0|2,0,0]=4 3959 B14R1.12535 CC(=O)Cc1cc(c(c(c1)C)O[13CH3])C 7a_200000080086_200025704644 [0,2,0,0,0,0|2,0,0]=4 3960 B14R1.12535 COc1c(cc(cc1C)CC(=O)C)C 34a_200000080086_200000210301 [0,2,0,0,0,0|2,0,0]=4 3961 B14R1.12535 COc1c(cc(cc1C)CC(=O)C)C 7a_200000080086_200000210301 [0,2,0,0,0,0|2,0,0]=4 3962 B14R1.12535 COc1c(cc(cc1Cl)CC(=O)C)F 1458a_100000070787_100009815999 [0,2,0,0,0,0|2,0,0]=4 3963 B14R1.12535 COc1c(cc(cc1F)CC(=O)C)F 1458a_100000062059_200000210301 [0,2,0,0,0,0|2,0,0]=4 3964 B14R1.12535 COc1c(cc(cc1F)CC(=O)C)F 1458a_100000070787_100011830405 [0,2,0,0,0,0|2,0,0]=4 3965 B14R1.12535 COc1c(cc(cc1F)CC(=O)[13CH3])F 1458a_100000062059_200025704644 [0,2,0,0,0,0|2,0,0]=4 3966 B14R1.41 COc1cc(ccc1O)C(O)C(=O)C 1458a_100000036414_200000210301 [0,2,0,0,0,0|1,0,0]=3 3967 B14R1.41 COc1cc(ccc1O)C(O)C(=O)[13CH3] 1458a_100000036414_200025704644 [0,2,0,0,0,0|1,0,0]=3 3968 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)C 1458a_100009814412_200000210301 [0,2,0,0,0,0|1,0,0]=3 3969 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)[13CH3] 1458a_100009814412_200025704644 [0,2,0,0,0,0|1,0,0]=3 3970 B14R1.439 C=C=Cc1cc(ccc1O)CC(=O)C 271570a_100015277604_100010141077 [0,2,0,0,0,0|2,0,0]=4 3971 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100010141077_100015361967 [0,2,0,0,0,0|1,1,0]=4 3972 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100015361967_100010141077 [0,2,0,0,0,0|1,1,0]=4 3973 B14R1.439 CC=Cc1cc(ccc1O)CC(=O)C 271570a_100016259895_100010141077 [0,2,0,0,0,0|2,0,0]=4 3974 B14R1.439 CCOc1cc(ccc1O)CC(=O)C 1458a_200000048972_200000210301 [0,2,0,0,0,0|1,0,0]=3 3975 B14R1.439 CCOc1cc(ccc1O)CC(=O)[13CH3] 1458a_200000048972_200025704644 [0,2,0,0,0,0|1,0,0]=3 3976 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100000210202_100010141077 [0,2,0,0,0,0|1,1,0]=4 3977 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100010141077_100000210202 [0,2,0,0,0,0|1,1,0]=4 3978 B14R1.705 C=C(C)c1cc(ccc1O)CC(=O)C 271570a_100000694244_100010141077 [0,2,0,0,0,0|2,0,0]=4 3979 B14R1.705 CC(=O)Cc1ccc(c(c1)B(O)O)F 1458a_100000070787_200011092054 [0,2,0,0,0,0|2,0,0]=4 3980 B14R1.705 CC(=O)Cc1ccc(c(c1)[N+](=O)[O-])O 1458a_100000039415_200000210301 [0,2,0,0,0,0|1,0,1]=4 3981 B14R1.705 CC(=O)Cc1ccc(c(c1)[N+](=O)[O-])O 1458a_100000070787_100010149780 [0,2,0,0,0,0|1,0,1]=4 3982 B14R1.705 [13CH3]C(=O)Cc1ccc(c(c1)[N+](=O)[O-])O 1458a_100000039415_200025704644 [0,2,0,0,0,0|1,0,1]=4 3983 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [0,2,0,0,0,0|1,0,0]=3 3984 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [0,2,0,0,0,0|1,0,0]=3 3985 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000211873_100010110085 [0,2,0,0,0,0|2,0,0]=4 3986 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000211873_200010214485 [0,2,0,0,0,0|2,0,0]=4 3987 B14R1.3405 C#CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000211873_100012349856 [0,2,0,0,0,0|2,0,0]=4 3988 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000185746_100010110085 [0,2,0,0,0,0|2,0,0]=4 3989 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000185746_200010214485 [0,2,0,0,0,0|2,0,0]=4 3990 B14R1.3405 C=CC(=O)Cc1ccc(c(c1)OC)F 1458a_100000185746_100012349856 [0,2,0,0,0,0|2,0,0]=4 3991 B14R1.3405 C=CC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000185746 [0,2,0,0,0,0|2,0,0]=4 3992 B14R1.3405 C=Cc1cc(ccc1F)CC(=O)OC 271570a_100011290941_100011435807 [0,2,0,0,0,0|2,0,0]=4 3993 B14R1.3405 C=Cc1cc(ccc1O)CC(=O)OC 271570a_100011290941_100010222482 [0,2,0,0,0,0|1,0,0]=3 3994 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_100000210414_100010110085 [0,2,0,0,0,0|2,0,0]=4 3995 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Br 1458a_200010002685_100000210202 [0,2,0,0,0,0|2,0,0]=4 3996 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)Cl 1458a_100000210414_200010214485 [0,2,0,0,0,0|2,0,0]=4 3997 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000117344_100000210202 [0,2,0,0,0,0|2,0,0]=4 3998 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)F 1458a_100000210414_100012349856 [0,2,0,0,0,0|2,0,0]=4 3999 B14R1.3405 CCC(=O)Cc1ccc(c(c1)OC)O 1458a_100000032101_100000210202 [0,2,0,0,0,0|1,0,0]=3 4000 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 22a_100000726020_100000210414 [0,2,0,0,0,0|2,0,0]=4 4001 B14R1.3405 CCC(=O)Nc1ccc(c(c1)OC)O 527a_100000726020_100000210414 [0,2,0,0,0,0|2,0,0]=4 4002 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 11a_106832991635_200010002685 [0,2,0,0,0,0|2,0,0]=4 4003 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 240690a_100102657272_200010002685 [0,2,0,0,0,0|2,0,0]=4 4004 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)Br 527a_100102657272_200010002685 [0,2,0,0,0,0|2,0,0]=4 4005 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 11a_106832991635_100000117344 [0,2,0,0,0,0|2,0,0]=4 4006 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 1626a_100102657272_100000117344 [0,2,0,0,0,0|2,0,0]=4 4007 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 240690a_100102657272_100000117344 [0,2,0,0,0,0|2,0,0]=4 4008 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)F 527a_100102657272_100000117344 [0,2,0,0,0,0|2,0,0]=4 4009 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 240690a_100102657272_100000032101 [0,2,0,0,0,0|1,0,0]=3 4010 B14R1.3405 CNC(=O)Cc1ccc(c(c1)OC)O 527a_100102657272_100000032101 [0,2,0,0,0,0|1,0,0]=3 4011 B14R1.3405 CNC(=O)Nc1ccc(c(c1)OC)O 2430a_100000726020_100102657272 [0,2,0,0,0,0|2,0,0]=4 4012 B14R1.3405 COC(=O)Cc1ccc(c(c1)OC)N 34a_200009957001_200000210301 [0,2,0,0,0,0|1,0,0]=3 4013 B14R1.3405 COC(=O)Cc1ccc(c(c1)O[13CH3])N 34a_200009957001_200025704644 [0,2,0,0,0,0|1,0,0]=3 4014 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)F 62a_100011435807_200000210301 [0,2,0,0,0,0|1,1,0]=4 4015 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)F 62a_200000210301_100011435807 [0,2,0,0,0,0|1,1,0]=4 4016 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_100010222482_200000210301 [0,2,0,0,0,0|0,1,0]=3 4017 B14R1.3405 COC(=O)Cc1ccc(c(c1)SC)O 62a_200000210301_100010222482 [0,2,0,0,0,0|0,1,0]=3 4018 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])F 62a_100011435807_200025704644 [0,2,0,0,0,0|1,1,0]=4 4019 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100011435807 [0,2,0,0,0,0|1,1,0]=4 4020 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010222482_200025704644 [0,2,0,0,0,0|0,1,0]=3 4021 B14R1.3405 COC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010222482 [0,2,0,0,0,0|0,1,0]=3 4022 B14R1.3405 COc1cc(ccc1Br)CC(=O)CF 1458a_200010002685_100015361967 [0,2,0,0,0,0|2,0,0]=4 4023 B14R1.3405 COc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100010110085 [0,2,0,0,0,0|1,0,0]=3 4024 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 22a_100000765947_100000210174 [0,2,0,0,0,0|2,0,0]=4 4025 B14R1.3405 COc1cc(ccc1Br)NC(=O)CO 527a_100000765947_100000210174 [0,2,0,0,0,0|2,0,0]=4 4026 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 22a_100011279678_100000210174 [0,2,0,0,0,0|2,0,0]=4 4027 B14R1.3405 COc1cc(ccc1C)NC(=O)CO 527a_100011279678_100000210174 [0,2,0,0,0,0|2,0,0]=4 4028 B14R1.3405 COc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_200010214485 [0,2,0,0,0,0|1,0,0]=3 4029 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 22a_100000742311_100000210174 [0,2,0,0,0,0|2,0,0]=4 4030 B14R1.3405 COc1cc(ccc1Cl)NC(=O)CO 527a_100000742311_100000210174 [0,2,0,0,0,0|2,0,0]=4 4031 B14R1.3405 COc1cc(ccc1F)CC(=O)CF 1458a_100000117344_100015361967 [0,2,0,0,0,0|2,0,0]=4 4032 B14R1.3405 COc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100012349856 [0,2,0,0,0,0|1,0,0]=3 4033 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 22a_100000701188_100000210174 [0,2,0,0,0,0|2,0,0]=4 4034 B14R1.3405 COc1cc(ccc1F)NC(=O)CO 527a_100000701188_100000210174 [0,2,0,0,0,0|2,0,0]=4 4035 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 22a_100000746945_100000210174 [0,2,0,0,0,0|2,0,0]=4 4036 B14R1.3405 COc1cc(ccc1I)NC(=O)CO 527a_100000746945_100000210174 [0,2,0,0,0,0|2,0,0]=4 4037 B14R1.3405 COc1cc(ccc1O)CC(=O)CF 1458a_100000032101_100015361967 [0,2,0,0,0,0|1,0,0]=3 4038 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 22a_100000726020_100000210174 [0,2,0,0,0,0|1,0,0]=3 4039 B14R1.3405 COc1cc(ccc1O)NC(=O)CO 527a_100000726020_100000210174 [0,2,0,0,0,0|1,0,0]=3 4040 B14R1.3405 COc1nc(ccc1Br)CC(=O)CO 1458a_100000210174_200010066506 [0,2,0,0,0,0|2,0,0]=4 4041 B14R1.3405 N#Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100010128727 [0,2,0,0,0,0|2,0,0]=4 4042 B14R1.3405 N#Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100010147165 [0,2,0,0,0,0|2,0,0]=4 4043 B14R1.3405 N#Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100000687583 [0,2,0,0,0,0|2,0,0]=4 4044 B14R1.3405 N#Cc1cc(ccc1O)NC(=O)CO 22a_100011249283_100000210174 [0,2,0,0,0,0|2,0,0]=4 4045 B14R1.3405 N#Cc1cc(ccc1O)NC(=O)CO 527a_100011249283_100000210174 [0,2,0,0,0,0|2,0,0]=4 4046 B14R1.3405 O=C(CO)Nc1ccc(c(c1)CO)Br 22a_100012347228_100000210174 [0,2,0,0,0,0|2,0,0]=4 4047 B14R1.3405 O=C(CO)Nc1ccc(c(c1)CO)Br 527a_100012347228_100000210174 [0,2,0,0,0,0|2,0,0]=4 4048 B14R1.3405 O=C(CO)Nc1ccc(c(c1)CO)Cl 22a_100011273577_100000210174 [0,2,0,0,0,0|2,0,0]=4 4049 B14R1.3405 O=C(CO)Nc1ccc(c(c1)CO)F 22a_100011218011_100000210174 [0,2,0,0,0,0|2,0,0]=4 4050 B14R1.3405 O=C(CO)Nc1ccc(c(c1)CO)F 527a_100011218011_100000210174 [0,2,0,0,0,0|2,0,0]=4 4051 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)Cl 1458a_100000070787_100010116237 [0,2,0,0,0,0|2,0,0]=4 4052 B14R1.4106 COc1c(ccc(c1F)CC(=O)C)F 1458a_100000070787_100009814548 [0,2,0,0,0,0|2,0,0]=4 4053 B14R1.1003 CCC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100000210202 [0,2,0,0,0,0|1,0,0]=3 4054 B14R1.1003 CNC(=O)C(O)c1ccc(c(c1)O)O 240690a_100102657272_200000032065 [0,2,0,0,0,0|1,0,0]=3 4055 B14R1.1003 O=C(CF)C(O)c1ccc(c(c1)O)O 1458a_200000032065_100015361967 [0,2,0,0,0,0|1,0,0]=3 4056 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)C)F 269956a_200011615215_200000210301 [0,2,0,0,0,0|2,0,0]=4 4057 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200000210301 [0,2,0,0,0,0|2,0,0]=4 4058 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)Cl)F 269956a_100011934136_200000210301 [0,2,0,0,0,0|2,0,0]=4 4059 B14R1.1032 CNC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200000210301 [0,2,0,0,0,0|2,0,0]=4 4060 B14R1.1032 Cc1cc(ccc1F)C(N[13CH3])C(=O)O 269956a_200011615215_200025704644 [0,2,0,0,0,0|2,0,0]=4 4061 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)Cl)Cl 269956a_100000761552_200025704644 [0,2,0,0,0,0|2,0,0]=4 4062 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)Cl)F 269956a_100011934136_200025704644 [0,2,0,0,0,0|2,0,0]=4 4063 B14R1.1032 [13CH3]NC(C(=O)O)c1ccc(c(c1)F)Cl 269956a_100000695227_200025704644 [0,2,0,0,0,0|2,0,0]=4 4064 B14R1.20236 COC(=O)Cc1cc(c(cc1F)O)F 271570a_203496583355_200015289655 [0,2,0,0,0,0|1,0,0]=3 4065 B14R1.20236 Cc1cc(c(cc1F)F)CC(=O)CO 1458a_100000210174_100012347589 [0,2,0,0,0,0|2,0,0]=4 4066 B14R1.20236 Cc1cc(c(cc1NC(=O)CO)O)Cl 22a_100009961766_100000210174 [0,2,0,0,0,0|2,0,0]=4 4067 B14R1.20236 Cc1cc(c(cc1O)C)NC(=O)CO 22a_100000720036_100000210174 [0,2,0,0,0,0|2,0,0]=4 4068 B14R1.20236 Cc1cc(c(cc1O)C)NC(=O)CO 527a_100000720036_100000210174 [0,2,0,0,0,0|2,0,0]=4 4069 B14R1.20236 Cc1cc(c(cc1O)NC(=O)CO)Cl 22a_100000092876_100000210174 [0,2,0,0,0,0|2,0,0]=4 4070 B14R1.20236 Cc1cc(c(cc1O)NC(=O)CO)F 22a_100000117193_100000210174 [0,2,0,0,0,0|2,0,0]=4 4071 B14R1.20236 Cc1cc(c(cc1O)NC(=O)CO)F 527a_100000117193_100000210174 [0,2,0,0,0,0|2,0,0]=4 4072 B14R1.20236 O=C(CO)Cc1cc(c(cc1Br)F)F 1458a_100000210174_100010077255 [0,2,0,0,0,0|2,0,0]=4 4073 B14R1.20236 O=C(CO)Cc1cc(c(cc1Cl)Cl)Cl 1458a_100000210174_100010220947 [0,2,0,0,0,0|2,0,0]=4 4074 B14R1.20236 O=C(CO)Cc1cc(c(cc1Cl)Cl)F 1458a_100000210174_100009813697 [0,2,0,0,0,0|2,0,0]=4 4075 B14R1.20236 O=C(CO)Cc1cc(c(cc1Cl)F)F 1458a_100000210174_100011830393 [0,2,0,0,0,0|2,0,0]=4 4076 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)Br)F 1458a_100000210174_100012024439 [0,2,0,0,0,0|2,0,0]=4 4077 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)Cl)F 1458a_100000210174_200012361342 [0,2,0,0,0,0|2,0,0]=4 4078 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)F)Cl 1458a_100000210174_100010994231 [0,2,0,0,0,0|2,0,0]=4 4079 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)F)F 1458a_100000210174_100011218792 [0,2,0,0,0,0|2,0,0]=4 4080 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)F)I 1458a_100000210174_100019984567 [0,2,0,0,0,0|2,0,0]=4 4081 B14R1.20236 O=C(CO)Nc1cc(c(cc1Br)O)Br 527a_100011080774_100000210174 [0,2,0,0,0,0|2,0,0]=4 4082 B14R1.20236 O=C(CO)Nc1cc(c(cc1Cl)O)F 22a_100009886023_100000210174 [0,2,0,0,0,0|2,0,0]=4 4083 B14R1.20236 O=C(CO)Nc1cc(c(cc1Cl)O)F 527a_100009886023_100000210174 [0,2,0,0,0,0|2,0,0]=4 4084 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000210174 [0,2,0,0,0,0|2,0,0]=4 4085 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)F)O 22a_100011219470_100000210174 [0,2,0,0,0,0|2,0,0]=4 4086 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)F)O 527a_100011219470_100000210174 [0,2,0,0,0,0|2,0,0]=4 4087 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)O)F 22a_100020635945_100000210174 [0,2,0,0,0,0|2,0,0]=4 4088 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)O)F 527a_100020635945_100000210174 [0,2,0,0,0,0|2,0,0]=4 4089 B14R1.708 CCC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_100000210202 [0,2,0,0,0,0|2,0,0]=4 4090 B14R1.708 CCC(=O)Cc1cc(c(c(c1)C)O)C 1458a_200000099080_100000210202 [0,2,0,0,0,0|2,0,0]=4 4091 B14R1.708 CNC(=O)Cc1cc(c(c(c1)Br)O)Br 240690a_100102657272_100009996861 [0,2,0,0,0,0|2,0,0]=4 4092 B14R1.708 CNC(=O)Cc1cc(c(c(c1)Br)O)Br 527a_100102657272_100009996861 [0,2,0,0,0,0|2,0,0]=4 4093 B14R1.708 CNC(=O)Cc1cc(c(c(c1)C)O)C 240690a_100102657272_200000099080 [0,2,0,0,0,0|2,0,0]=4 4094 B14R1.708 CNC(=O)Cc1cc(c(c(c1)C)O)C 527a_100102657272_200000099080 [0,2,0,0,0,0|2,0,0]=4 4095 B14R1.708 Cc1cc(cc(c1F)C)CC(=O)CO 1458a_100000210174_100011352456 [0,2,0,0,0,0|2,0,0]=4 4096 B14R1.708 Cc1cc(cc(c1O)Br)NC(=O)CO 22a_100010064301_100000210174 [0,2,0,0,0,0|2,0,0]=4 4097 B14R1.708 Cc1cc(cc(c1O)Br)NC(=O)CO 527a_100010064301_100000210174 [0,2,0,0,0,0|2,0,0]=4 4098 B14R1.708 Cc1cc(cc(c1O)C)CC(=O)CF 1458a_200000099080_100015361967 [0,2,0,0,0,0|2,0,0]=4 4099 B14R1.708 Cc1cc(cc(c1O)C)NC(=O)CO 22a_100000703291_100000210174 [0,2,0,0,0,0|2,0,0]=4 4100 B14R1.708 Cc1cc(cc(c1O)C)NC(=O)CO 527a_100000703291_100000210174 [0,2,0,0,0,0|2,0,0]=4 4101 B14R1.708 O=C(CF)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_100015361967 [0,2,0,0,0,0|2,0,0]=4 4102 B14R1.708 O=C(CO)Cc1cc(c(c(c1)F)Cl)F 1458a_100000210174_100010769323 [0,2,0,0,0,0|2,0,0]=4 4103 B14R1.708 O=C(CO)Cc1cc(c(c(c1)F)F)F 1458a_100000210174_100011216845 [0,2,0,0,0,0|2,0,0]=4 4104 B14R1.708 O=C(CO)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100000210174 [0,2,0,0,0,0|2,0,0]=4 4105 B14R1.708 O=C(CO)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100000210174 [0,2,0,0,0,0|2,0,0]=4 4106 B14R1.708 O=C(CO)Nc1cc(c(c(c1)Cl)Cl)O 22a_100015839415_100000210174 [0,2,0,0,0,0|2,0,0]=4 4107 B14R1.708 O=C(CO)Nc1cc(c(c(c1)Cl)O)Cl 22a_100000695418_100000210174 [0,2,0,0,0,0|2,0,0]=4 4108 B14R1.708 O=C(CO)Nc1cc(c(c(c1)Cl)O)Cl 527a_100000695418_100000210174 [0,2,0,0,0,0|2,0,0]=4 4109 B14R1.708 O=C(CO)Nc1cc(c(c(c1)F)O)F 22a_100016987357_100000210174 [0,2,0,0,0,0|2,0,0]=4 4110 B14R1.708 O=C(CO)Nc1cc(c(c(c1)F)O)F 527a_100016987357_100000210174 [0,2,0,0,0,0|2,0,0]=4 4111 B14R1.967 C#CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000184674 [0,2,0,0,0,0|2,0,0]=4 4112 B14R1.967 C#CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000184674 [0,2,0,0,0,0|2,0,0]=4 4113 B14R1.967 C#CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000184674 [0,2,0,0,0,0|2,0,0]=4 4114 B14R1.967 C#CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000184674 [0,2,0,0,0,0|2,0,0]=4 4115 B14R1.967 C#CCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000184674 [0,2,0,0,0,0|2,0,0]=4 4116 B14R1.967 C#CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000184674 [0,2,0,0,0,0|1,0,0]=3 4117 B14R1.967 C#CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100011220946 [0,2,0,0,0,0|2,0,0]=4 4118 B14R1.967 C=CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210623 [0,2,0,0,0,0|2,0,0]=4 4119 B14R1.967 C=CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210623 [0,2,0,0,0,0|2,0,0]=4 4120 B14R1.967 C=CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210623 [0,2,0,0,0,0|2,0,0]=4 4121 B14R1.967 C=CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210623 [0,2,0,0,0,0|2,0,0]=4 4122 B14R1.967 C=CCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210623 [0,2,0,0,0,0|2,0,0]=4 4123 B14R1.967 C=CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210623 [0,2,0,0,0,0|1,0,0]=3 4124 B14R1.967 C=CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210193 [0,2,0,0,0,0|2,0,0]=4 4125 B14R1.967 C=CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210193 [0,2,0,0,0,0|2,0,0]=4 4126 B14R1.967 CC#CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000763181 [0,2,0,0,0,0|2,0,0]=4 4127 B14R1.967 CC=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210699 [0,2,0,0,0,0|2,0,0]=4 4128 B14R1.967 CCCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210303 [0,2,0,0,0,0|2,0,0]=4 4129 B14R1.967 CCCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210303 [0,2,0,0,0,0|2,0,0]=4 4130 B14R1.967 CCCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210303 [0,2,0,0,0,0|2,0,0]=4 4131 B14R1.967 CCCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210303 [0,2,0,0,0,0|2,0,0]=4 4132 B14R1.967 CCCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210303 [0,2,0,0,0,0|2,0,0]=4 4133 B14R1.967 CCCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210303 [0,2,0,0,0,0|1,0,0]=3 4134 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000211992 [0,2,0,0,0,0|2,0,0]=4 4135 B14R1.967 CCCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000211992 [0,2,0,0,0,0|2,0,0]=4 4136 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Br)O 240690a_100015525214_100009990404 [0,2,0,0,0,0|2,0,0]=4 4137 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Br)O 527a_100015525214_100009990404 [0,2,0,0,0,0|2,0,0]=4 4138 B14R1.967 CCNC(=O)Cc1ccc(c(c1)C)O 240690a_100015525214_100000083968 [0,2,0,0,0,0|2,0,0]=4 4139 B14R1.967 CCNC(=O)Cc1ccc(c(c1)C)O 527a_100015525214_100000083968 [0,2,0,0,0,0|2,0,0]=4 4140 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100015525214_100000035197 [0,2,0,0,0,0|2,0,0]=4 4141 B14R1.967 CCNC(=O)Cc1ccc(c(c1)Cl)O 527a_100015525214_100000035197 [0,2,0,0,0,0|2,0,0]=4 4142 B14R1.967 CCNC(=O)Cc1ccc(c(c1)F)O 240690a_100015525214_100000039761 [0,2,0,0,0,0|2,0,0]=4 4143 B14R1.967 CCNC(=O)Cc1ccc(c(c1)F)O 527a_100015525214_100000039761 [0,2,0,0,0,0|2,0,0]=4 4144 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)C 11a_100015525214_100000082272 [0,2,0,0,0,0|2,0,0]=4 4145 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)C 240690a_100015525214_100000082272 [0,2,0,0,0,0|2,0,0]=4 4146 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)C 527a_100015525214_100000082272 [0,2,0,0,0,0|2,0,0]=4 4147 B14R1.967 CCNC(=O)Cc1ccc(c(c1)O)O 527a_100015525214_100000031429 [0,2,0,0,0,0|1,0,0]=3 4148 B14R1.967 CCNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100015525214 [0,2,0,0,0,0|2,0,0]=4 4149 B14R1.967 CCOC(=O)Cc1ccc(c(c1)F)O 271570a_203496583355_100000692401 [0,2,0,0,0,0|1,0,0]=3 4150 B14R1.967 CCOC(=O)Cc1ccc(c(c1)O)C 271570a_203496583355_200010149176 [0,2,0,0,0,0|1,0,0]=3 4151 B14R1.967 CCOC(=O)Cc1ccc(c(c1)O)N 271570a_203496583355_200010232156 [0,2,0,0,0,0|1,0,0]=3 4152 B14R1.967 CCOC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222481 [0,2,0,0,0,0|0,0,0]=2 4153 B14R1.967 CNNC(=O)Cc1ccc(c(c1)Br)O 22a_100016993582_100009990404 [0,2,0,0,0,0|2,0,0]=4 4154 B14R1.967 CNNC(=O)Cc1ccc(c(c1)C)O 22a_100016993582_100000083968 [0,2,0,0,0,0|2,0,0]=4 4155 B14R1.967 CNNC(=O)Cc1ccc(c(c1)Cl)O 22a_100016993582_100000035197 [0,2,0,0,0,0|2,0,0]=4 4156 B14R1.967 CNNC(=O)Cc1ccc(c(c1)F)O 22a_100016993582_100000039761 [0,2,0,0,0,0|2,0,0]=4 4157 B14R1.967 CNNC(=O)Cc1ccc(c(c1)O)C 22a_100016993582_100000082272 [0,2,0,0,0,0|2,0,0]=4 4158 B14R1.967 CNNC(=O)Cc1ccc(c(c1)O)O 22a_100016993582_100000031429 [0,2,0,0,0,0|1,0,0]=3 4159 B14R1.967 COCC(=O)Cc1cc(=O)c(co1)O 1458a_100000210968_100000010605 [0,2,0,0,0,0|1,0,1]=4 4160 B14R1.967 COCC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000210968_100012353900 [0,2,0,0,0,0|2,0,0]=4 4161 B14R1.967 COCC(=O)Cc1ccc(c(c1)Br)C 1458a_100000210968_100012232412 [0,2,0,0,0,0|2,0,0]=4 4162 B14R1.967 COCC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000210968_100012353894 [0,2,0,0,0,0|2,0,0]=4 4163 B14R1.967 COCC(=O)Cc1ccc(c(c1)Br)F 1458a_100000210968_100011206884 [0,2,0,0,0,0|2,0,0]=4 4164 B14R1.967 COCC(=O)Cc1ccc(c(c1)C)Br 1458a_100000210968_100000727479 [0,2,0,0,0,0|2,0,0]=4 4165 B14R1.967 COCC(=O)Cc1ccc(c(c1)C)C 1458a_100000210968_100000742320 [0,2,0,0,0,0|2,0,0]=4 4166 B14R1.967 COCC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000210968_100012184735 [0,2,0,0,0,0|2,0,0]=4 4167 B14R1.967 COCC(=O)Cc1ccc(c(c1)C)F 1458a_100000210968_100011216667 [0,2,0,0,0,0|2,0,0]=4 4168 B14R1.967 COCC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000210968_100012353895 [0,2,0,0,0,0|2,0,0]=4 4169 B14R1.967 COCC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000210968_100011823929 [0,2,0,0,0,0|2,0,0]=4 4170 B14R1.967 COCC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210968_100000184707 [0,2,0,0,0,0|2,0,0]=4 4171 B14R1.967 COCC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000210968_100000717365 [0,2,0,0,0,0|2,0,0]=4 4172 B14R1.967 COCC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000210968_100012349665 [0,2,0,0,0,0|2,0,0]=4 4173 B14R1.967 COCC(=O)Cc1ccc(c(c1)F)Br 1458a_100000210968_100000767054 [0,2,0,0,0,0|2,0,0]=4 4174 B14R1.967 COCC(=O)Cc1ccc(c(c1)F)C 1458a_100000210968_100011217369 [0,2,0,0,0,0|2,0,0]=4 4175 B14R1.967 COCC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000210968_100000716492 [0,2,0,0,0,0|2,0,0]=4 4176 B14R1.967 COCC(=O)Cc1ccc(c(c1)F)F 1458a_100000210968_100000757363 [0,2,0,0,0,0|2,0,0]=4 4177 B14R1.967 COCC(=O)Cc1ccc(c(c1)F)I 1458a_100000210968_100010149604 [0,2,0,0,0,0|2,0,0]=4 4178 B14R1.967 COCC(=O)Cc1ccc(c(c1)I)Br 1458a_100000210968_100010146616 [0,2,0,0,0,0|2,0,0]=4 4179 B14R1.967 COCC(=O)Cc1ccc(c(c1)I)C 1458a_100000210968_100010206137 [0,2,0,0,0,0|2,0,0]=4 4180 B14R1.967 COCC(=O)Cc1ccc(c(c1)I)F 1458a_100000210968_100010188208 [0,2,0,0,0,0|2,0,0]=4 4181 B14R1.967 COCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210968 [0,2,0,0,0,0|2,0,0]=4 4182 B14R1.967 COCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210968 [0,2,0,0,0,0|2,0,0]=4 4183 B14R1.967 COCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210968 [0,2,0,0,0,0|2,0,0]=4 4184 B14R1.967 COCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210968 [0,2,0,0,0,0|2,0,0]=4 4185 B14R1.967 COCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210968 [0,2,0,0,0,0|2,0,0]=4 4186 B14R1.967 COCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210968 [0,2,0,0,0,0|2,0,0]=4 4187 B14R1.967 COCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000210968 [0,2,0,0,0,0|2,0,0]=4 4188 B14R1.967 COCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000210968 [0,2,0,0,0,0|2,0,0]=4 4189 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000210968 [0,2,0,0,0,0|2,0,0]=4 4190 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000210968 [0,2,0,0,0,0|2,0,0]=4 4191 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000210968 [0,2,0,0,0,0|2,0,0]=4 4192 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210968 [0,2,0,0,0,0|2,0,0]=4 4193 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000210968 [0,2,0,0,0,0|2,0,0]=4 4194 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000210968 [0,2,0,0,0,0|2,0,0]=4 4195 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210968 [0,2,0,0,0,0|1,0,0]=3 4196 B14R1.967 COCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210968 [0,2,0,0,0,0|1,0,0]=3 4197 B14R1.967 CSCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000184570 [0,2,0,0,0,0|1,1,0]=4 4198 B14R1.967 CSCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000184570 [0,2,0,0,0,0|1,1,0]=4 4199 B14R1.967 Cc1cc(ccc1Br)CC(=O)CCO 1458a_100011216618_100000727479 [0,2,0,0,0,0|2,0,0]=4 4200 B14R1.967 Cc1cc(ccc1Br)CC(=O)CCO 1458a_100012340274_100000211926 [0,2,0,0,0,0|2,0,0]=4 4201 B14R1.967 Cc1cc(ccc1Cl)CC(=O)CCO 1458a_100011216618_100012184735 [0,2,0,0,0,0|2,0,0]=4 4202 B14R1.967 Cc1cc(ccc1F)CC(=O)CCO 1458a_100011216618_100011216667 [0,2,0,0,0,0|2,0,0]=4 4203 B14R1.967 Cc1cc(ccc1F)CC(=O)CCO 1458a_100011667458_100000211926 [0,2,0,0,0,0|2,0,0]=4 4204 B14R1.967 Cc1cc(ccc1O)CC(=O)CC#N 1458a_100000083968_100011214920 [0,2,0,0,0,0|2,0,0]=4 4205 B14R1.967 Cc1cc(ccc1O)CC(=O)CCF 1458a_100000083968_100011217306 [0,2,0,0,0,0|2,0,0]=4 4206 B14R1.967 Cc1cc(ccc1O)CC(=O)CCO 1458a_100000083968_100000211926 [0,2,0,0,0,0|1,0,0]=3 4207 B14R1.967 Cc1cc(ccc1O)NC(=O)CCO 22a_100011218179_100011216618 [0,2,0,0,0,0|2,0,0]=4 4208 B14R1.967 Cc1ccc(cc1Br)CC(=O)CCO 1458a_100000709925_100000211926 [0,2,0,0,0,0|2,0,0]=4 4209 B14R1.967 Cc1ccc(cc1Br)CC(=O)CCO 1458a_100011216618_100012232412 [0,2,0,0,0,0|2,0,0]=4 4210 B14R1.967 Cc1ccc(cc1C)CC(=O)CCO 1458a_100000184070_100000211926 [0,2,0,0,0,0|2,0,0]=4 4211 B14R1.967 Cc1ccc(cc1C)CC(=O)CCO 1458a_100011216618_100000742320 [0,2,0,0,0,0|2,0,0]=4 4212 B14R1.967 Cc1ccc(cc1Cl)CC(=O)CCO 1458a_100011216618_100011823929 [0,2,0,0,0,0|2,0,0]=4 4213 B14R1.967 Cc1ccc(cc1F)CC(=O)CCO 1458a_100011216618_100011217369 [0,2,0,0,0,0|2,0,0]=4 4214 B14R1.967 Cc1ccc(cc1F)CC(=O)CCO 1458a_100011217375_100000211926 [0,2,0,0,0,0|2,0,0]=4 4215 B14R1.967 Cc1ccc(cc1I)CC(=O)CCO 1458a_100011216618_100010206137 [0,2,0,0,0,0|2,0,0]=4 4216 B14R1.967 Cc1ccc(cc1O)CC(=O)CC#N 1458a_100000082272_100011214920 [0,2,0,0,0,0|2,0,0]=4 4217 B14R1.967 Cc1ccc(cc1O)CC(=O)CCF 1458a_100000082272_100011217306 [0,2,0,0,0,0|2,0,0]=4 4218 B14R1.967 Cc1ccc(cc1O)CC(=O)CCO 1458a_100000082272_100000211926 [0,2,0,0,0,0|1,0,0]=3 4219 B14R1.967 Cc1ccc(cc1O)NC(=O)CCO 22a_100000759471_100011216618 [0,2,0,0,0,0|2,0,0]=4 4220 B14R1.967 N#CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100011214920 [0,2,0,0,0,0|2,0,0]=4 4221 B14R1.967 N#CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100011214920 [0,2,0,0,0,0|2,0,0]=4 4222 B14R1.967 N#CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100011214920 [0,2,0,0,0,0|2,0,0]=4 4223 B14R1.967 N#CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100011214920 [0,2,0,0,0,0|1,0,0]=3 4224 B14R1.967 N#CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100051588842 [0,2,0,0,0,0|2,0,0]=4 4225 B14R1.967 O=C(CCF)Cc1ccc(c(c1)Br)O 1458a_100009990404_100011217306 [0,2,0,0,0,0|2,0,0]=4 4226 B14R1.967 O=C(CCF)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100011217306 [0,2,0,0,0,0|2,0,0]=4 4227 B14R1.967 O=C(CCF)Cc1ccc(c(c1)F)O 1458a_100000039761_100011217306 [0,2,0,0,0,0|2,0,0]=4 4228 B14R1.967 O=C(CCF)Cc1ccc(c(c1)O)O 1458a_100000031429_100011217306 [0,2,0,0,0,0|1,0,0]=3 4229 B14R1.967 O=C(CCO)Cc1cc(=O)c(co1)O 1458a_100011216618_100000010605 [0,2,0,0,0,0|1,0,1]=4 4230 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Br)Br 1458a_100011216618_100012353900 [0,2,0,0,0,0|2,0,0]=4 4231 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Br)Cl 1458a_100011216618_100012353894 [0,2,0,0,0,0|2,0,0]=4 4232 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_100000211926 [0,2,0,0,0,0|2,0,0]=4 4233 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Br)F 1458a_100000742997_100000211926 [0,2,0,0,0,0|2,0,0]=4 4234 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Br)F 1458a_100011216618_100011206884 [0,2,0,0,0,0|2,0,0]=4 4235 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000211926 [0,2,0,0,0,0|1,0,0]=3 4236 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_100000211926 [0,2,0,0,0,0|2,0,0]=4 4237 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)Br 1458a_100011216618_100012353895 [0,2,0,0,0,0|2,0,0]=4 4238 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_100000211926 [0,2,0,0,0,0|2,0,0]=4 4239 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)Cl 1458a_100011216618_100000184707 [0,2,0,0,0,0|2,0,0]=4 4240 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)F 1458a_100011216618_100000717365 [0,2,0,0,0,0|2,0,0]=4 4241 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)F 1458a_100011217296_100000211926 [0,2,0,0,0,0|2,0,0]=4 4242 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)I 1458a_100011216618_100012349665 [0,2,0,0,0,0|2,0,0]=4 4243 B14R1.967 O=C(CCO)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000211926 [0,2,0,0,0,0|1,0,0]=3 4244 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)Br 1458a_100000691132_100000211926 [0,2,0,0,0,0|2,0,0]=4 4245 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)Br 1458a_100011216618_100000767054 [0,2,0,0,0,0|2,0,0]=4 4246 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)Cl 1458a_100000722404_100000211926 [0,2,0,0,0,0|2,0,0]=4 4247 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)Cl 1458a_100011216618_100000716492 [0,2,0,0,0,0|2,0,0]=4 4248 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)F 1458a_100000684721_100000211926 [0,2,0,0,0,0|2,0,0]=4 4249 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)F 1458a_100011216618_100000757363 [0,2,0,0,0,0|2,0,0]=4 4250 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)I 1458a_100010149632_100000211926 [0,2,0,0,0,0|2,0,0]=4 4251 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)I 1458a_100011216618_100010149604 [0,2,0,0,0,0|2,0,0]=4 4252 B14R1.967 O=C(CCO)Cc1ccc(c(c1)F)O 1458a_100000039761_100000211926 [0,2,0,0,0,0|1,0,0]=3 4253 B14R1.967 O=C(CCO)Cc1ccc(c(c1)I)Br 1458a_100011216618_100010146616 [0,2,0,0,0,0|2,0,0]=4 4254 B14R1.967 O=C(CCO)Cc1ccc(c(c1)I)F 1458a_100011216618_100010188208 [0,2,0,0,0,0|2,0,0]=4 4255 B14R1.967 O=C(CCO)Cc1ccc(c(c1)O)O 1458a_100000031429_100000211926 [0,2,0,0,0,0|0,0,0]=2 4256 B14R1.967 O=C(CCO)Nc1ccc(c(c1)Br)O 22a_100011534360_100011216618 [0,2,0,0,0,0|2,0,0]=4 4257 B14R1.967 O=C(CCO)Nc1ccc(c(c1)Cl)O 22a_100000744943_100011216618 [0,2,0,0,0,0|2,0,0]=4 4258 B14R1.967 O=C(CCO)Nc1ccc(c(c1)F)O 22a_100011220035_100011216618 [0,2,0,0,0,0|2,0,0]=4 4259 B14R1.967 O=C(CCO)Nc1ccc(c(c1)O)Cl 22a_100011934209_100011216618 [0,2,0,0,0,0|2,0,0]=4 4260 B14R1.967 O=C(CCO)Nc1ccc(c(c1)O)F 22a_100012017398_100011216618 [0,2,0,0,0,0|2,0,0]=4 4261 B14R1.967 O=C(CCO)Nc1ccc(c(c1)O)O 22a_100102946323_100011216618 [0,2,0,0,0,0|1,0,0]=3 4262 B14R1.8824 Cc1c(ccc(c1C)NC(=O)CO)O 22a_200011216674_100000210174 [0,2,0,0,0,0|2,0,0]=4 4263 B14R1.8824 Cc1c(ccc(c1C)NC(=O)CO)O 527a_200011216674_100000210174 [0,2,0,0,0,0|2,0,0]=4 4264 B14R1.8824 Cc1c(ccc(c1F)NC(=O)CO)O 22a_200000126710_100000210174 [0,2,0,0,0,0|2,0,0]=4 4265 B14R1.8824 Cc1c(ccc(c1F)NC(=O)CO)O 527a_200000126710_100000210174 [0,2,0,0,0,0|2,0,0]=4 4266 B14R1.8824 Cc1ccc(c(c1F)F)CC(=O)CO 1458a_100000210174_100009813564 [0,2,0,0,0,0|2,0,0]=4 4267 B14R1.8824 Cc1ccc(c(c1O)Cl)NC(=O)CO 22a_100000036876_100000210174 [0,2,0,0,0,0|2,0,0]=4 4268 B14R1.8824 O=C(CO)Cc1ccc(c(c1Br)F)F 1458a_100000210174_100016216887 [0,2,0,0,0,0|2,0,0]=4 4269 B14R1.8824 O=C(CO)Cc1ccc(c(c1F)Cl)F 1458a_100000210174_100009814552 [0,2,0,0,0,0|2,0,0]=4 4270 B14R1.8824 O=C(CO)Cc1ccc(c(c1F)F)F 1458a_100000210174_100011218744 [0,2,0,0,0,0|2,0,0]=4 4271 B14R1.8824 O=C(CO)Nc1ccc(c(c1Cl)Cl)O 527a_100012017499_100000210174 [0,2,0,0,0,0|2,0,0]=4 4272 B14R1.8824 O=C(CO)Nc1ccc(c(c1F)Cl)O 22a_200000098347_100000210174 [0,2,0,0,0,0|2,0,0]=4 4273 B14R1.8824 O=C(CO)Nc1ccc(c(c1F)Cl)O 527a_200000098347_100000210174 [0,2,0,0,0,0|2,0,0]=4 4274 B14R1.8824 O=C(CO)Nc1ccc(c(c1F)F)O 22a_100015204651_100000210174 [0,2,0,0,0,0|2,0,0]=4 4275 B14R1.8824 O=C(CO)Nc1ccc(c(c1F)F)O 527a_100015204651_100000210174 [0,2,0,0,0,0|2,0,0]=4 4276 B12R2.606 Cc1nc2ccc(cc2o1)O 271570a_203496583355_100010171164 [1,0,0,1,0,0|2,0,0]=4 4277 B12R2.606 Nc1nc2ccc(cc2o1)O 271570a_203496583355_100010000678 [1,0,0,1,0,0|2,0,0]=4 4278 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,0,0,1,0,0|2,0,0]=4 4279 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [1,0,0,1,0,0|1,0,0]=3 4280 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,0,0,1,0,0|1,0,0]=3 4281 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [1,0,0,1,0,0|2,0,0]=4 4282 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [1,0,0,1,0,0|2,0,0]=4 4283 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [1,0,0,1,0,0|2,0,0]=4 4284 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,0,0,1,0,0|2,0,0]=4 4285 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,0,0,1,0,0|2,0,0]=4 4286 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,0,0,1,0,0|2,0,0]=4 4287 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,0,0,1,0,0|1,0,0]=3 4288 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,0,0,1,0,0|1,1,0]=4 4289 B12R2.606 O=c1[nH]c2ncc(cc2o1)O 271570a_203496583355_100000721845 [1,0,0,1,0,0|2,0,0]=4 4290 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [1,0,0,1,0,0|1,0,1]=4 4291 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [1,0,0,1,0,0|1,1,0]=4 4292 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [1,0,0,1,0,0|2,0,0]=4 4293 B12R2.202 Nc1nc2cccc(c2o1)O 271570a_203496583355_100012347120 [1,0,0,1,0,0|2,0,0]=4 4294 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,0,0,1,0,0|2,0,0]=4 4295 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,0,0,1,0,0|1,0,0]=3 4296 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,0,0,1,0,0|1,0,0]=3 4297 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,0,0,1,0,0|1,0,0]=3 4298 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [1,0,0,1,0,0|1,0,1]=4 4299 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [1,0,0,1,0,0|2,0,0]=4 4300 B12R2.82 Oc1c(ccc2c1ocn2)F 271570a_203496583355_100010870391 [1,0,0,1,0,0|2,0,0]=4 4301 B12R2.82 Oc1ccc2c(c1O)CCC2 271570a_203496583355_100010662108 [1,0,0,1,0,0|1,0,1]=4 4302 B12R2.100 Oc1cc2c(cc1O)CCC2 271570a_203496583355_200010659162 [1,0,0,1,0,0|1,0,1]=4 4303 B12R2.100 Oc1cc2c(cc1O)OCO2 271570a_203496583355_100010290809 [1,0,0,1,0,0|1,0,1]=4 4304 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_100011220607_100009813601 [1,0,0,1,0,0|1,0,1]=4 4305 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_203496583355_100135415898 [1,0,0,1,0,0|1,0,1]=4 4306 B14R2.4513 Cc1c(ccc2c1NC(=O)CO2)O 271570a_203496583355_100010272156 [0,0,0,1,0,1|2,0,0]=4 4307 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,0,0,1,0,1|1,0,1]=4 4308 B14R2.10591 Oc1ccc(cc1O)NCC2CO2 34a_100102946323_102125554688 [0,0,0,1,0,1|1,0,1]=4 4309 B14R2.10591 Oc1ccc(cc1O)SCC2CO2 62a_102125554688_100009813601 [0,0,0,1,0,1|1,0,1]=4 4310 B14R2.10591 Oc1ccc(cc1O)SC[C@@H]2CO2 62a_100000745022_100009813601 [0,0,0,1,0,1|1,0,1]=4 4311 B14R2.1008 CC(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200000210301 [0,1,0,1,0,0|2,0,0]=4 4312 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200000210301 [0,1,0,1,0,0|1,0,0]=3 4313 B14R2.1008 CC(=O)Cc1ccc2ncoc2c1 1458a_100000070787_106359897996 [0,1,0,1,0,0|2,0,0]=4 4314 B14R2.1008 CC(=O)Cc1ccc2nonc2c1 1458a_100000070787_100000733437 [0,1,0,1,0,0|2,0,0]=4 4315 B14R2.1008 CC(=O)Cc1ccc2occc2c1 1458a_100000096804_200000210301 [0,1,0,1,0,0|2,0,0]=4 4316 B14R2.1008 CC(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200000210301 [0,1,0,1,0,0|2,0,0]=4 4317 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 11a_100000209953_100015343762 [0,1,0,1,0,0|2,0,0]=4 4318 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 1626a_100000209953_100015343762 [0,1,0,1,0,0|2,0,0]=4 4319 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 22a_100000209953_100000070787 [0,1,0,1,0,0|2,0,0]=4 4320 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 527a_100000209953_100103153847 [0,1,0,1,0,0|2,0,0]=4 4321 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)CCO2 1458a_100000242752_200025704644 [0,1,0,1,0,0|2,0,0]=4 4322 B14R2.1008 [13CH3]C(=O)Cc1ccc2c(c1)OCO2 1458a_100000743733_200025704644 [0,1,0,1,0,0|1,0,0]=3 4323 B14R2.1008 [13CH3]C(=O)Cc1ccc2occc2c1 1458a_100000096804_200025704644 [0,1,0,1,0,0|2,0,0]=4 4324 B14R2.1008 [13CH3]C(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200025704644 [0,1,0,1,0,0|2,0,0]=4 4325 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,1,0|2,0,0]=4 4326 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,1,0|2,0,0]=4 4327 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,1,0|2,0,0]=4 4328 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,1,0|2,0,0]=4 4329 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,1,0|2,0,0]=4 4330 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,1,0|2,0,0]=4 4331 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,1,0|2,0,0]=4 4332 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,1,0|1,0,0]=3 4333 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,1,0|1,0,0]=3 4334 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,1,0|2,0,0]=4 4335 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,1,0|2,0,0]=4 4336 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,1,0|1,0,1]=4 4337 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,1,0|2,0,0]=4 4338 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,1,0|2,0,0]=4 4339 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,1,0|1,0,0]=3 4340 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,1,0|2,0,0]=4 4341 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,1,0|2,0,0]=4 4342 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,1,0|1,0,1]=4 4343 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,1,0|2,0,0]=4 4344 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,1,0|2,0,0]=4 4345 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,1,0|2,0,0]=4 4346 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,1,0|2,0,0]=4 4347 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,1,0|1,0,0]=3 4348 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,0,0,0,1,0|2,0,0]=4 4349 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,0,0,0,1,0|2,0,0]=4 4350 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,0,0,0,1,0|2,0,0]=4 4351 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,1,0|2,0,0]=4 4352 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,1,0|2,0,0]=4 4353 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,1,0|2,0,0]=4 4354 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,1,0|2,0,0]=4 4355 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,1,0|2,0,0]=4 4356 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,1,0|1,0,0]=3 4357 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,1,0|1,0,0]=3 4358 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,0,0,0,1,0|2,0,0]=4 4359 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,0,0,0,1,0|2,0,0]=4 4360 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,0,0,0,1,0|2,0,0]=4 4361 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,0,0,0,1,0|1,0,1]=4 4362 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,1,0|2,0,0]=4 4363 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,1,0|2,0,0]=4 4364 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,0,0,0,1,0|2,0,0]=4 4365 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,1,0|1,0,0]=3 4366 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,0,0,0,1,0|2,0,0]=4 4367 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,0,0,0,1,0|2,0,0]=4 4368 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,0,0,0,1,0|2,0,0]=4 4369 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,0,0,0,1,0|1,0,1]=4 4370 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,1,0|2,0,0]=4 4371 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,1,0|2,0,0]=4 4372 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,1,0|2,0,0]=4 4373 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,1,0|2,0,0]=4 4374 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,1,0|1,0,0]=3 4375 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [1,0,0,0,0,1|2,0,0]=4 4376 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [1,0,0,0,0,1|2,0,0]=4 4377 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [1,0,0,0,0,1|2,0,0]=4 4378 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [1,0,0,0,0,1|2,0,0]=4 4379 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,0,0,0,0,1|1,0,1]=4 4380 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,0,0,0,0,1|2,0,0]=4 4381 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,0,0,0,0,1|2,0,0]=4 4382 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,0,0,0,0,1|2,0,0]=4 4383 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,0,0,0,0,1|2,0,0]=4 4384 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,0,0,0,0,1|2,0,0]=4 4385 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,0,0,0,0,1|2,0,0]=4 4386 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,0,0,0,0,1|2,0,0]=4 4387 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,0,0,0,0,1|2,0,0]=4 4388 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,0,0,0,0,1|2,0,0]=4 4389 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,0,0,0,0,1|1,0,0]=3 4390 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,0,0,0,0,1|1,0,0]=3 4391 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,0,0,0,0,1|1,0,0]=3 4392 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,0,0,0,0,1|2,0,0]=4 4393 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,0,0,0,0,1|2,0,0]=4 4394 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,0,0,0,0,1|2,0,0]=4 4395 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,0,0,0,0,1|2,0,0]=4 4396 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,0,0,0,0,1|2,0,0]=4 4397 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,0,0,0,0,1|1,0,0]=3 4398 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,0,0,0,0,1|2,0,0]=4 4399 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,0,0,0,0,1|2,0,0]=4 4400 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,0,0,0,0,1|2,0,0]=4 4401 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,0,0,0,0,1|2,0,0]=4 4402 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,0,0,0,0,1|2,0,0]=4 4403 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,0,0,0,0,1|2,0,0]=4 4404 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,0,0,0,0,1|2,0,0]=4 4405 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,0,0,0,0,1|2,0,0]=4 4406 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,0,0,0,0,1|2,0,0]=4 4407 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,0,0,0,0,1|2,0,0]=4 4408 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,0,0,0,0,1|2,0,0]=4 4409 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,0,0,0,0,1|2,0,0]=4 4410 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,0,0,0,0,1|2,0,0]=4 4411 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,0,0,0,0,1|2,0,0]=4 4412 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,0,0,0,0,1|2,0,0]=4 4413 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,0,0,0,0,1|2,0,0]=4 4414 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,0,0,0,0,1|2,0,0]=4 4415 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,0,0,0,0,1|2,0,0]=4 4416 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,0,0,0,0,1|2,0,0]=4 4417 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,0,0,0,0,1|2,0,0]=4 4418 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,0,0,0,0,1|2,0,0]=4 4419 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,0,0,0,0,1|2,0,0]=4 4420 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,0,0,0,0,1|2,0,0]=4 4421 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,0,0,0,0,1|2,0,0]=4 4422 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,0,0,0,0,1|1,0,0]=3 4423 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,0,0,0,0,1|1,0,0]=3 4424 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,0,0,0,0,1|1,0,0]=3 4425 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [1,0,0,0,0,1|2,0,0]=4 4426 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [1,0,0,0,0,1|2,0,0]=4 4427 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [1,0,0,0,0,1|2,0,0]=4 4428 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,0,0,0,0,1|2,0,0]=4 4429 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [1,0,0,0,0,1|1,0,1]=4 4430 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [1,0,0,0,0,1|1,0,1]=4 4431 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [1,0,0,0,0,1|1,0,1]=4 4432 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [1,0,0,0,0,1|1,0,1]=4 4433 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,0,0,0,0,1|2,0,0]=4 4434 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [1,0,0,0,0,1|2,0,0]=4 4435 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [1,0,0,0,0,1|1,0,1]=4 4436 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [1,0,0,0,0,1|2,0,0]=4 4437 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [1,0,0,0,0,1|2,0,0]=4 4438 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,0,0,0,0,1|2,0,0]=4 4439 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [1,0,0,0,0,1|1,0,1]=4 4440 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [1,0,0,0,0,1|2,0,0]=4 4441 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [1,0,0,0,0,1|2,0,0]=4 4442 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,0,0,0,0,1|2,0,0]=4 4443 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [1,0,0,0,0,1|1,0,1]=4 4444 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [1,0,0,0,0,1|1,0,1]=4 4445 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,0,0,0,0,1|1,0,0]=3 4446 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [1,0,0,0,0,1|2,0,0]=4 4447 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [1,0,0,0,0,1|2,0,0]=4 4448 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [1,0,0,0,0,1|2,0,0]=4 4449 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [1,0,0,0,0,1|2,0,0]=4 4450 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [1,0,0,0,0,1|2,0,0]=4 4451 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [1,0,0,0,0,1|2,0,0]=4 4452 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,0,0,0,0,1|1,0,0]=3 4453 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [1,0,0,0,0,1|2,0,0]=4 4454 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [1,0,0,0,0,1|2,0,0]=4 4455 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [1,0,0,0,0,1|2,0,0]=4 4456 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [1,0,0,0,0,1|2,0,0]=4 4457 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [1,0,0,0,0,1|2,0,0]=4 4458 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [1,0,0,0,0,1|2,0,0]=4 4459 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [1,0,0,0,0,1|2,0,0]=4 4460 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [1,0,0,0,0,1|2,0,0]=4 4461 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [1,0,0,0,0,1|2,0,0]=4 4462 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [1,0,0,0,0,1|2,0,0]=4 4463 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [1,0,0,0,0,1|2,0,0]=4 4464 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [1,0,0,0,0,1|2,0,0]=4 4465 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [1,0,0,0,0,1|2,0,0]=4 4466 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [1,0,0,0,0,1|2,0,0]=4 4467 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [1,0,0,0,0,1|2,0,0]=4 4468 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [1,0,0,0,0,1|2,0,0]=4 4469 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,0,0,0,0,1|1,0,0]=3 4470 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,0,0,0,0,1|1,0,0]=3 4471 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [1,0,0,0,0,1|2,0,0]=4 4472 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [1,0,0,0,0,1|2,0,0]=4 4473 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [1,0,0,0,0,1|1,0,1]=4 4474 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [1,0,0,0,0,1|1,0,1]=4 4475 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [1,0,0,0,0,1|1,0,1]=4 4476 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [1,0,0,0,0,1|1,0,1]=4 4477 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [1,0,0,0,0,1|1,0,1]=4 4478 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [1,0,0,0,0,1|1,0,1]=4 4479 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [1,0,0,0,0,1|1,0,1]=4 4480 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,0,0,0,0,1|0,0,1]=3 4481 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [1,0,0,0,0,1|1,0,1]=4 4482 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [1,0,0,0,0,1|1,0,1]=4 4483 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [1,0,0,0,0,1|1,0,1]=4 4484 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [1,0,0,0,0,1|1,0,1]=4 4485 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [1,0,0,0,0,1|1,0,1]=4 4486 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [1,0,0,0,0,1|1,0,1]=4 4487 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [1,0,0,0,0,1|1,0,1]=4 4488 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [1,0,0,0,0,1|1,0,1]=4 4489 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [1,0,0,0,0,1|1,0,1]=4 4490 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [1,0,0,0,0,1|1,0,1]=4 4491 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,0,0,0,0,1|0,0,1]=3 4492 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [1,0,0,0,0,1|1,0,1]=4 4493 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [1,0,0,0,0,1|1,0,1]=4 4494 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [1,0,0,0,0,1|1,0,1]=4 4495 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,0,0,0,0,1|2,0,0]=4 4496 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,0,0,0,0,1|2,0,0]=4 4497 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,0,0,0,0,1|2,0,0]=4 4498 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,0,0,0,0,1|2,0,0]=4 4499 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,0,0,0,0,1|1,0,0]=3 4500 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,0,0,0,0,1|2,0,0]=4 4501 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,0,0,0,0,1|2,0,0]=4 4502 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,0,0,0,0,1|2,0,0]=4 4503 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,0,0,0,0,1|2,0,0]=4 4504 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,0,0,0,0,1|1,0,0]=3 4505 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,0,0,0,0,1|2,0,0]=4 4506 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,0,0,0,0,1|2,0,0]=4 4507 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,0,0,0,0,1|2,0,0]=4 4508 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [1,0,0,0,0,1|2,0,0]=4 4509 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [1,0,0,0,0,1|2,0,0]=4 4510 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [1,0,0,0,0,1|2,0,0]=4 4511 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [1,0,0,0,0,1|2,0,0]=4 4512 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,0,0,0,0,1|1,0,1]=4 4513 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [1,0,0,0,0,1|1,0,1]=4 4514 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,0,0,0,0,1|2,0,0]=4 4515 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,0,0,0,0,1|2,0,0]=4 4516 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,0,0,0,0,1|2,0,0]=4 4517 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,0,0,0,0,1|2,0,0]=4 4518 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,0,0,0,0,1|2,0,0]=4 4519 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,0,0,0,0,1|2,0,0]=4 4520 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,0,0,0,0,1|2,0,0]=4 4521 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,0,0,0,0,1|2,0,0]=4 4522 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,0,0,0,0,1|2,0,0]=4 4523 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,0,0,0,0,1|1,0,0]=3 4524 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,0,0,0,0,1|1,0,0]=3 4525 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [1,0,0,0,0,1|2,0,0]=4 4526 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [1,0,0,0,0,1|2,0,0]=4 4527 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [1,0,0,0,0,1|2,0,0]=4 4528 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [1,0,0,0,0,1|2,0,0]=4 4529 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [1,0,0,0,0,1|2,0,0]=4 4530 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,0,0,0,0,1|2,0,0]=4 4531 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,0,0,0,0,1|2,0,0]=4 4532 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,0,0,0,0,1|2,0,0]=4 4533 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,0,0,0,0,1|2,0,0]=4 4534 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,0,0,0,0,1|2,0,0]=4 4535 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,0,0,0,0,1|2,0,0]=4 4536 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,0,0,0,0,1|2,0,0]=4 4537 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,0,0,0,0,1|2,0,0]=4 4538 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,0,0,0,0,1|2,0,0]=4 4539 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,0,0,0,0,1|2,0,0]=4 4540 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,0,0,0,0,1|2,0,0]=4 4541 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,0,0,0,0,1|2,0,0]=4 4542 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,0,0,0,0,1|2,0,0]=4 4543 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,0,0,0,0,1|2,0,0]=4 4544 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,0,0,0,0,1|2,0,0]=4 4545 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,0,0,0,0,1|2,0,0]=4 4546 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,0,0,0,0,1|2,0,0]=4 4547 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,0,0,0,0,1|2,0,0]=4 4548 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,0,0,0,0,1|2,0,0]=4 4549 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,0,0,0,0,1|2,0,0]=4 4550 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,0,0,0,0,1|1,0,0]=3 4551 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,0,0,0,0,1|1,0,0]=3 4552 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,0,0,0,0,1|1,0,0]=3 4553 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [1,0,0,0,0,1|2,0,0]=4 4554 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [1,0,0,0,0,1|2,0,0]=4 4555 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [1,0,0,0,0,1|2,0,0]=4 4556 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [1,0,0,0,0,1|1,0,1]=4 4557 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [1,0,0,0,0,1|1,0,1]=4 4558 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [1,0,0,0,0,1|1,0,1]=4 4559 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [1,0,0,0,0,1|1,0,1]=4 4560 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,0,0,0,0,1|2,0,0]=4 4561 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [1,0,0,0,0,1|2,0,0]=4 4562 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [1,0,0,0,0,1|2,0,0]=4 4563 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [1,0,0,0,0,1|1,0,1]=4 4564 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [1,0,0,0,0,1|2,0,0]=4 4565 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [1,0,0,0,0,1|2,0,0]=4 4566 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [1,0,0,0,0,1|2,0,0]=4 4567 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [1,0,0,0,0,1|1,0,1]=4 4568 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [1,0,0,0,0,1|2,0,0]=4 4569 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [1,0,0,0,0,1|2,0,0]=4 4570 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [1,0,0,0,0,1|1,0,1]=4 4571 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [1,0,0,0,0,1|1,0,1]=4 4572 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,0,0,0,0,1|1,0,0]=3 4573 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [1,0,0,0,0,1|2,0,0]=4 4574 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [1,0,0,0,0,1|2,0,0]=4 4575 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [1,0,0,0,0,1|2,0,0]=4 4576 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [1,0,0,0,0,1|2,0,0]=4 4577 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [1,0,0,0,0,1|1,0,0]=3 4578 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [1,0,0,0,0,1|2,0,0]=4 4579 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [1,0,0,0,0,1|2,0,0]=4 4580 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [1,0,0,0,0,1|2,0,0]=4 4581 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [1,0,0,0,0,1|2,0,0]=4 4582 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [1,0,0,0,0,1|2,0,0]=4 4583 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [1,0,0,0,0,1|2,0,0]=4 4584 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [1,0,0,0,0,1|2,0,0]=4 4585 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [1,0,0,0,0,1|2,0,0]=4 4586 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [1,0,0,0,0,1|2,0,0]=4 4587 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [1,0,0,0,0,1|1,0,0]=3 4588 B12R1.226 NC(=O)CSc1cc(ccn1)O 62a_100000747473_100000762945 [1,0,0,0,0,1|2,0,0]=4 4589 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [1,0,0,0,0,1|2,0,0]=4 4590 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [1,0,0,0,0,1|2,0,0]=4 4591 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [1,0,0,0,0,1|2,0,0]=4 4592 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [1,0,0,0,0,1|2,0,0]=4 4593 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [1,0,0,0,0,1|2,0,0]=4 4594 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [1,0,0,0,0,1|2,0,0]=4 4595 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [1,0,0,0,0,1|2,0,0]=4 4596 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [1,0,0,0,0,1|2,0,0]=4 4597 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [1,0,0,0,0,1|1,0,0]=3 4598 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [1,0,0,0,0,1|1,1,0]=4 4599 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [1,0,0,0,0,1|1,1,0]=4 4600 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000747473_100000754920 [1,0,0,0,0,1|2,0,0]=4 4601 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000754920_100000747473 [1,0,0,0,0,1|2,0,0]=4 4602 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [1,0,0,0,0,1|1,0,1]=4 4603 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [1,0,0,0,0,1|1,0,1]=4 4604 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [1,0,0,0,0,1|1,0,1]=4 4605 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [1,0,0,0,0,1|1,0,1]=4 4606 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [1,0,0,0,0,1|1,0,1]=4 4607 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [1,0,0,0,0,1|1,0,1]=4 4608 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [1,0,0,0,0,1|1,0,1]=4 4609 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [1,0,0,0,0,1|0,0,1]=3 4610 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [1,0,0,0,0,1|1,0,1]=4 4611 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [1,0,0,0,0,1|1,0,1]=4 4612 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [1,0,0,0,0,1|1,0,1]=4 4613 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [1,0,0,0,0,1|1,0,1]=4 4614 B12R1.226 O=C([O-])CSc1cc(ccn1)O 62a_100020667443_100000762945 [1,0,0,0,0,1|1,0,1]=4 4615 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [1,0,0,0,0,1|1,0,1]=4 4616 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [1,0,0,0,0,1|1,0,1]=4 4617 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [1,0,0,0,0,1|1,0,1]=4 4618 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [1,0,0,0,0,1|1,0,1]=4 4619 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [1,0,0,0,0,1|1,0,1]=4 4620 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [1,0,0,0,0,1|1,0,1]=4 4621 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [1,0,0,0,0,1|0,0,1]=3 4622 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [1,0,0,0,0,1|0,1,1]=4 4623 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [1,0,0,0,0,1|0,1,1]=4 4624 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100000754920_100020667443 [1,0,0,0,0,1|1,0,1]=4 4625 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100020667443_100000754920 [1,0,0,0,0,1|1,0,1]=4 4626 B12R1.226 O=[N+]([O-])CNc1cccc(c1)O 34a_100000210217_100000761209 [1,0,0,0,0,1|1,0,1]=4 4627 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [1,0,0,0,0,1|1,0,1]=4 4628 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,0,0,0,0,1|2,0,0]=4 4629 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,0,0,0,0,1|2,0,0]=4 4630 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,0,0,0,0,1|2,0,0]=4 4631 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,0,0,0,0,1|2,0,0]=4 4632 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,0,0,0,0,1|1,0,0]=3 4633 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [1,0,0,0,0,1|2,0,0]=4 4634 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [1,0,0,0,0,1|2,0,0]=4 4635 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [1,0,0,0,0,1|2,0,0]=4 4636 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [1,0,0,0,0,1|2,0,0]=4 4637 B14R1.687 C=C(C)CCNc1ccc(c(c1)O)O 34a_100102946323_100000730704 [0,0,0,0,0,2|2,0,0]=4 4638 B14R1.687 C=C(C)CCSc1ccc(c(c1)O)O 62a_100000730704_100009813601 [0,0,0,0,0,2|2,0,0]=4 4639 B14R1.687 C=C(C)CNCc1ccc(c(c1)O)O 34a_100000010075_100000748629 [0,0,0,0,0,2|2,0,0]=4 4640 B14R1.687 C=C(F)CNCc1ccc(c(c1)O)O 34a_100000010075_100009893438 [0,0,0,0,0,2|2,0,0]=4 4641 B14R1.687 CC(=CCNc1ccc(c(c1)O)O)C 34a_100102946323_100000761012 [0,0,0,0,0,2|2,0,0]=4 4642 B14R1.687 CC(=CCSc1ccc(c(c1)O)O)C 62a_100000761012_100009813601 [0,0,0,0,0,2|2,0,0]=4 4643 B14R1.687 CC(=O)CCNc1ccc(c(c1)C)O 7a_100011218179_100000053229 [0,0,0,0,0,2|2,0,0]=4 4644 B14R1.687 CC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000053229 [0,0,0,0,0,2|2,0,0]=4 4645 B14R1.687 CC(=O)CCNc1ccc(c(c1)O)C 7a_100000759471_100000053229 [0,0,0,0,0,2|2,0,0]=4 4646 B14R1.687 CC(=O)CCNc1ccc(c(c1)O)F 7a_100012017398_100000053229 [0,0,0,0,0,2|2,0,0]=4 4647 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100000053229_100012361655 [0,0,0,0,0,2|2,0,0]=4 4648 B14R1.687 CC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000053229 [0,0,0,0,0,2|2,0,0]=4 4649 B14R1.687 CC(=O)CCSc1ccc(c(c1)C)O 62a_100000053229_100000186361 [0,0,0,0,0,2|2,0,0]=4 4650 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000053229_100012360047 [0,0,0,0,0,2|2,0,0]=4 4651 B14R1.687 CC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000053229 [0,0,0,0,0,2|2,0,0]=4 4652 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000053229_100000185481 [0,0,0,0,0,2|2,0,0]=4 4653 B14R1.687 CC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000053229 [0,0,0,0,0,2|2,0,0]=4 4654 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000053229_100000752626 [0,0,0,0,0,2|2,0,0]=4 4655 B14R1.687 CC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000053229 [0,0,0,0,0,2|2,0,0]=4 4656 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Br 62a_100000053229_100012356990 [0,0,0,0,0,2|2,0,0]=4 4657 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Br 62a_100012356990_100000053229 [0,0,0,0,0,2|2,0,0]=4 4658 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)C 62a_100000053229_100000685420 [0,0,0,0,0,2|2,0,0]=4 4659 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)C 62a_100000685420_100000053229 [0,0,0,0,0,2|2,0,0]=4 4660 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Cl 62a_100000053229_100011356854 [0,0,0,0,0,2|2,0,0]=4 4661 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000053229 [0,0,0,0,0,2|2,0,0]=4 4662 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)F 62a_100000053229_100000686035 [0,0,0,0,0,2|2,0,0]=4 4663 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)F 62a_100000686035_100000053229 [0,0,0,0,0,2|2,0,0]=4 4664 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)N 62a_100000053229_100000739049 [0,0,0,0,0,2|2,0,0]=4 4665 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)N 62a_100000739049_100000053229 [0,0,0,0,0,2|2,0,0]=4 4666 B14R1.687 CC(=O)CCSc1ccc(c(c1)O)O 62a_100000053229_100009813601 [0,0,0,0,0,2|1,0,0]=3 4667 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 240690a_100000210387_100015343762 [0,0,0,0,0,2|1,0,0]=3 4668 B14R1.687 CC(=O)NCCc1ccc(c(c1)O)O 527a_100000210387_100103153847 [0,0,0,0,0,2|1,0,0]=3 4669 B14R1.687 CC(=O)NN=Cc1ccc(c(c1)O)O 4a_100000189765_100000184535 [0,0,0,0,0,2|1,0,1]=4 4670 B14R1.687 CC(=O)OCNc1ccc(c(c1)Br)O 34a_100011534360_100009813279 [0,0,0,0,0,2|2,0,0]=4 4671 B14R1.687 CC(=O)OCNc1ccc(c(c1)C)O 34a_100011218179_100009813279 [0,0,0,0,0,2|2,0,0]=4 4672 B14R1.687 CC(=O)OCNc1ccc(c(c1)Cl)O 34a_100000744943_100009813279 [0,0,0,0,0,2|2,0,0]=4 4673 B14R1.687 CC(=O)OCNc1ccc(c(c1)F)O 34a_100011220035_100009813279 [0,0,0,0,0,2|2,0,0]=4 4674 B14R1.687 CC(=O)OCNc1ccc(c(c1)O)C 34a_100000759471_100009813279 [0,0,0,0,0,2|2,0,0]=4 4675 B14R1.687 CC(=O)OCNc1ccc(c(c1)O)Cl 34a_100011934209_100009813279 [0,0,0,0,0,2|2,0,0]=4 4676 B14R1.687 CC(=O)OCNc1ccc(c(c1)O)F 34a_100012017398_100009813279 [0,0,0,0,0,2|2,0,0]=4 4677 B14R1.687 CC(=O)OCNc1ccc(c(c1)O)O 34a_100102946323_100009813279 [0,0,0,0,0,2|1,0,0]=3 4678 B14R1.687 CC(=O)OCSc1ccc(c(c1)Br)O 62a_100000076356_100012361655 [0,0,0,0,0,2|2,0,0]=4 4679 B14R1.687 CC(=O)OCSc1ccc(c(c1)Br)O 62a_100012361655_100000076356 [0,0,0,0,0,2|2,0,0]=4 4680 B14R1.687 CC(=O)OCSc1ccc(c(c1)C)O 62a_100000076356_100000186361 [0,0,0,0,0,2|2,0,0]=4 4681 B14R1.687 CC(=O)OCSc1ccc(c(c1)Cl)O 62a_100000076356_100012360047 [0,0,0,0,0,2|2,0,0]=4 4682 B14R1.687 CC(=O)OCSc1ccc(c(c1)Cl)O 62a_100012360047_100000076356 [0,0,0,0,0,2|2,0,0]=4 4683 B14R1.687 CC(=O)OCSc1ccc(c(c1)F)O 62a_100000076356_100000185481 [0,0,0,0,0,2|2,0,0]=4 4684 B14R1.687 CC(=O)OCSc1ccc(c(c1)F)O 62a_100000185481_100000076356 [0,0,0,0,0,2|2,0,0]=4 4685 B14R1.687 CC(=O)OCSc1ccc(c(c1)N)O 62a_100000076356_100000752626 [0,0,0,0,0,2|2,0,0]=4 4686 B14R1.687 CC(=O)OCSc1ccc(c(c1)N)O 62a_100000752626_100000076356 [0,0,0,0,0,2|2,0,0]=4 4687 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)Br 62a_100000076356_100012356990 [0,0,0,0,0,2|2,0,0]=4 4688 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)Br 62a_100012356990_100000076356 [0,0,0,0,0,2|2,0,0]=4 4689 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)C 62a_100000076356_100000685420 [0,0,0,0,0,2|2,0,0]=4 4690 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)C 62a_100000685420_100000076356 [0,0,0,0,0,2|2,0,0]=4 4691 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)Cl 62a_100000076356_100011356854 [0,0,0,0,0,2|2,0,0]=4 4692 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)Cl 62a_100011356854_100000076356 [0,0,0,0,0,2|2,0,0]=4 4693 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)F 62a_100000076356_100000686035 [0,0,0,0,0,2|2,0,0]=4 4694 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)F 62a_100000686035_100000076356 [0,0,0,0,0,2|2,0,0]=4 4695 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)N 62a_100000076356_100000739049 [0,0,0,0,0,2|2,0,0]=4 4696 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)N 62a_100000739049_100000076356 [0,0,0,0,0,2|2,0,0]=4 4697 B14R1.687 CC(=O)OCSc1ccc(c(c1)O)O 62a_100000076356_100009813601 [0,0,0,0,0,2|1,0,0]=3 4698 B14R1.687 CC(O)CCNc1ccc(c(c1)O)O 34a_100102946323_100012276601 [0,0,0,0,0,2|1,0,1]=4 4699 B14R1.687 CC(O)CCSc1ccc(c(c1)O)O 62a_100012276601_100009813601 [0,0,0,0,0,2|1,0,1]=4 4700 B14R1.687 CC(O)CNCc1ccc(c(c1)O)O 34a_100000010075_100011218427 [0,0,0,0,0,2|1,0,1]=4 4701 B14R1.687 C[C@@H](O)CNCc1ccc(c(c1)O)O 34a_100000010075_100009817552 [0,0,0,0,0,2|1,0,1]=4 4702 B14R1.687 Cc1cc(ccc1Br)CNCC(=O)O 269956a_100016091260_100000727479 [0,0,0,0,0,2|2,0,0]=4 4703 B14R1.687 Cc1cc(ccc1Cl)CNCC(=O)O 269956a_100016091260_100012184735 [0,0,0,0,0,2|2,0,0]=4 4704 B14R1.687 Cc1cc(ccc1F)CNCC(=O)O 269956a_100016091260_100011216667 [0,0,0,0,0,2|2,0,0]=4 4705 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 34a_100011218179_100000731001 [0,0,0,0,0,2|2,0,0]=4 4706 B14R1.687 Cc1cc(ccc1O)NCCC(=O)N 7a_100011218179_100000744528 [0,0,0,0,0,2|2,0,0]=4 4707 B14R1.687 Cc1cc(ccc1O)SCCC(=O)N 62a_100000744528_100000186361 [0,0,0,0,0,2|2,0,0]=4 4708 B14R1.687 Cc1ccc(cc1Br)CNCC(=O)O 269956a_100016091260_100012232412 [0,0,0,0,0,2|2,0,0]=4 4709 B14R1.687 Cc1ccc(cc1C)CNCC(=O)O 269956a_100016091260_100000742320 [0,0,0,0,0,2|2,0,0]=4 4710 B14R1.687 Cc1ccc(cc1Cl)CNCC(=O)O 269956a_100016091260_100011823929 [0,0,0,0,0,2|2,0,0]=4 4711 B14R1.687 Cc1ccc(cc1F)CNCC(=O)O 269956a_100016091260_100011217369 [0,0,0,0,0,2|2,0,0]=4 4712 B14R1.687 Cc1ccc(cc1I)CNCC(=O)O 269956a_100016091260_100010206137 [0,0,0,0,0,2|2,0,0]=4 4713 B14R1.687 Cc1ccc(cc1O)NCCC(=O)N 34a_100000759471_100000731001 [0,0,0,0,0,2|2,0,0]=4 4714 B14R1.687 Cc1ccc(cc1O)NCCC(=O)N 7a_100000759471_100000744528 [0,0,0,0,0,2|2,0,0]=4 4715 B14R1.687 Cc1ccc(cc1O)SCCC(=O)N 62a_100000685420_100000744528 [0,0,0,0,0,2|2,0,0]=4 4716 B14R1.687 Cc1ccc(cc1O)SCCC(=O)N 62a_100000744528_100000685420 [0,0,0,0,0,2|2,0,0]=4 4717 B14R1.687 NC(=O)CCNc1ccc(c(c1)Br)O 34a_100011534360_100000731001 [0,0,0,0,0,2|2,0,0]=4 4718 B14R1.687 NC(=O)CCNc1ccc(c(c1)Cl)O 34a_100000744943_100000731001 [0,0,0,0,0,2|2,0,0]=4 4719 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 34a_100011220035_100000731001 [0,0,0,0,0,2|2,0,0]=4 4720 B14R1.687 NC(=O)CCNc1ccc(c(c1)F)O 7a_100011220035_100000744528 [0,0,0,0,0,2|2,0,0]=4 4721 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)Cl 34a_100011934209_100000731001 [0,0,0,0,0,2|2,0,0]=4 4722 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)F 34a_100012017398_100000731001 [0,0,0,0,0,2|2,0,0]=4 4723 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)F 7a_100012017398_100000744528 [0,0,0,0,0,2|2,0,0]=4 4724 B14R1.687 NC(=O)CCNc1ccc(c(c1)O)O 34a_100102946323_100000731001 [0,0,0,0,0,2|1,0,0]=3 4725 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100000744528_100012361655 [0,0,0,0,0,2|2,0,0]=4 4726 B14R1.687 NC(=O)CCSc1ccc(c(c1)Br)O 62a_100012361655_100000744528 [0,0,0,0,0,2|2,0,0]=4 4727 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100000744528_100012360047 [0,0,0,0,0,2|2,0,0]=4 4728 B14R1.687 NC(=O)CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000744528 [0,0,0,0,0,2|2,0,0]=4 4729 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000185481_100000744528 [0,0,0,0,0,2|2,0,0]=4 4730 B14R1.687 NC(=O)CCSc1ccc(c(c1)F)O 62a_100000744528_100000185481 [0,0,0,0,0,2|2,0,0]=4 4731 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000744528_100000752626 [0,0,0,0,0,2|2,0,0]=4 4732 B14R1.687 NC(=O)CCSc1ccc(c(c1)N)O 62a_100000752626_100000744528 [0,0,0,0,0,2|2,0,0]=4 4733 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Br 62a_100000744528_100012356990 [0,0,0,0,0,2|2,0,0]=4 4734 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Br 62a_100012356990_100000744528 [0,0,0,0,0,2|2,0,0]=4 4735 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Cl 62a_100000744528_100011356854 [0,0,0,0,0,2|2,0,0]=4 4736 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000744528 [0,0,0,0,0,2|2,0,0]=4 4737 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)F 62a_100000686035_100000744528 [0,0,0,0,0,2|2,0,0]=4 4738 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)F 62a_100000744528_100000686035 [0,0,0,0,0,2|2,0,0]=4 4739 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)N 62a_100000739049_100000744528 [0,0,0,0,0,2|2,0,0]=4 4740 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)N 62a_100000744528_100000739049 [0,0,0,0,0,2|2,0,0]=4 4741 B14R1.687 NC(=O)CCSc1ccc(c(c1)O)O 62a_100000744528_100009813601 [0,0,0,0,0,2|1,0,0]=3 4742 B14R1.687 NC(=O)CNCc1ccc(c(c1)F)O 34a_100000758358_100000187820 [0,0,0,0,0,2|2,0,0]=4 4743 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)Cl 34a_100020636435_100000187820 [0,0,0,0,0,2|2,0,0]=4 4744 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)F 34a_100160469508_100000187820 [0,0,0,0,0,2|2,0,0]=4 4745 B14R1.687 NC(=O)CNCc1ccc(c(c1)O)O 34a_100000010075_100000187820 [0,0,0,0,0,2|1,0,0]=3 4746 B14R1.687 O=C(O)CNCc1cc(=O)c(co1)O 269956a_100016091260_100000010605 [0,0,0,0,0,2|1,0,1]=4 4747 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Br 269956a_100016091260_100012353900 [0,0,0,0,0,2|2,0,0]=4 4748 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)Cl 269956a_100016091260_100012353894 [0,0,0,0,0,2|2,0,0]=4 4749 B14R1.687 O=C(O)CNCc1ccc(c(c1)Br)F 269956a_100016091260_100000743011 [0,0,0,0,0,2|2,0,0]=4 4750 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Br 269956a_100016091260_100012353895 [0,0,0,0,0,2|2,0,0]=4 4751 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)Cl 269956a_100016091260_100000188800 [0,0,0,0,0,2|2,0,0]=4 4752 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)F 269956a_100016091260_100000717365 [0,0,0,0,0,2|2,0,0]=4 4753 B14R1.687 O=C(O)CNCc1ccc(c(c1)Cl)I 269956a_100016091260_100012349665 [0,0,0,0,0,2|2,0,0]=4 4754 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Br 269956a_100016091260_100000767054 [0,0,0,0,0,2|2,0,0]=4 4755 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)Cl 269956a_100016091260_100000716492 [0,0,0,0,0,2|2,0,0]=4 4756 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)F 269956a_100016091260_100000757363 [0,0,0,0,0,2|2,0,0]=4 4757 B14R1.687 O=C(O)CNCc1ccc(c(c1)F)I 269956a_100016091260_100010149604 [0,0,0,0,0,2|2,0,0]=4 4758 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)Br 269956a_100016091260_100010146616 [0,0,0,0,0,2|2,0,0]=4 4759 B14R1.687 O=C(O)CNCc1ccc(c(c1)I)F 269956a_100016091260_100010188208 [0,0,0,0,0,2|2,0,0]=4 4760 B14R1.687 O=C([O-])CNCc1ccc(c(c1)F)O 34a_100000758358_100020667443 [0,0,0,0,0,2|1,0,1]=4 4761 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)Cl 34a_100020636435_100020667443 [0,0,0,0,0,2|1,0,1]=4 4762 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)F 34a_100160469508_100020667443 [0,0,0,0,0,2|1,0,1]=4 4763 B14R1.687 O=C([O-])CNCc1ccc(c(c1)O)O 34a_100000010075_100020667443 [0,0,0,0,0,2|0,0,1]=3 4764 B14R1.687 O=[N+]([O-])CNCc1ccc(c(c1)O)O 34a_100000010075_100000761209 [0,0,0,0,0,2|1,0,1]=4