0 B12R1.127 CC(=Cc1cc(ccc1Br)O)C 271570a_100102525489_100012339312 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.127 CC(=Cc1cc(ccc1C)O)C 271570a_100102525489_100011380479 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.127 CC(=Cc1cc(ccc1Cl)O)C 271570a_100102525489_100000049588 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.127 CC(=Cc1cc(ccc1F)O)C 271570a_100102525489_100000693481 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.127 CC(=Cc1cc(ccc1N)O)C 271570a_100102525489_100012001276 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100000070787_100011982794 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.127 CC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000070787_100000733903 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.127 CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000070787_100000736370 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.127 CC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.127 CC(=O)Cc1cc(ccc1Br)I 1458a_100000070787_100012355412 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000070787_100000763347 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000070787_100000754809 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.127 CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100000070787_100000709952 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.127 CC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.127 CC(=O)Cc1cc(ccc1Cl)I 1458a_100000070787_100010188191 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000070787_100000736399 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.127 CC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100000070787_100000716957 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.127 CC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000070787_100000741279 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.127 CC(=O)Cc1cc(ccc1F)F 1458a_100000762760_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.127 CC(=O)Cc1cc(ccc1F)I 1458a_100000070787_200010149601 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.127 CC(=O)Cc1cc(ccc1I)Br 1458a_100000070787_100012362523 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.127 CC(=O)Cc1cc(ccc1I)Cl 1458a_100000070787_100012348826 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.127 CC(=O)Cc1cc(ccc1I)F 1458a_100000070787_100010149606 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,0,0,0,0,0|2,0,0]=2 46 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,0,0,0,0,0|2,0,0]=2 47 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,0,0,0,0,0|1,0,0]=1 48 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,0,0,0,0,0|1,0,0]=1 49 B12R1.127 CC(=O)Cc1cc(cnc1Br)Br 1458a_100000070787_100010253922 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.127 CC(=O)Cc1cc(cnc1Cl)Br 1458a_100000070787_100009816982 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.127 CC(=O)Cc1nc(ccc1Cl)C 1458a_100000070787_200009852033 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.127 CC(=O)Cc1nc(ccc1Cl)Cl 1458a_100000070787_100000059412 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.127 CC(=O)Cc1nc(ccc1F)Br 1458a_100000070787_100010065826 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.127 CC(=O)Cc1nc(ccc1F)Cl 1458a_100000070787_100009881012 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,0,0,0,0,0|3,0,0]=3 56 B12R1.127 CC(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.127 CC(=O)Cn1cc(ccc1=O)C 1458a_100009850670_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 11a_100000737762_100015343762 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100015343762 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 11a_100000687073_100015343762 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100015343762 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 11a_100000687223_100015343762 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.127 CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100015343762 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 11a_100000750456_100015343762 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.127 CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100015343762 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000070787 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.127 CC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100103153847 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,0,0,0,0,0|4,0,0]=4 73 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,0,0,0,0,0|4,0,0]=4 74 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,0,0,0,0,0|4,0,0]=4 75 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,0,0,0,0,0|4,0,0]=4 85 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,0,0,0,0,0|4,0,0]=4 86 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,0,0,0,0,0|4,0,0]=4 87 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,0,0,0,0,0|4,0,0]=4 88 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,0,0,0,0,0|3,0,0]=3 89 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,0,0,0,0,0|3,0,0]=3 90 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,0,0,0,0,0|3,0,0]=3 91 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 11a_100000750497_100015343762 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100015343762 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,0,0,0,0,0|4,0,0]=4 95 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 11a_100000184485_100015343762 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100015343762 [0,0,0,0,0,0|4,0,0]=4 98 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 11a_100000751338_100015343762 [0,0,0,0,0,0|4,0,0]=4 99 B12R1.127 CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100015343762 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 11a_200000761891_100015343762 [0,0,0,0,0,0|4,0,0]=4 101 B12R1.127 CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100015343762 [0,0,0,0,0,0|4,0,0]=4 102 B12R1.127 CC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100103153847 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 11a_100000740924_100015343762 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100015343762 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.127 CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000070787 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,0,0,0,0,0|4,0,0]=4 107 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,0,0,0,0,0|4,0,0]=4 108 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,0,0,0,0,0|4,0,0]=4 109 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,0,0,0,0,0|4,0,0]=4 110 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 11a_100000212115_100015343762 [0,0,0,0,0,0|4,0,0]=4 111 B12R1.127 CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100015343762 [0,0,0,0,0,0|4,0,0]=4 112 B12R1.127 CC(=O)Nc1cc(ccc1F)F 11a_100000210742_100015343762 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.127 CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100015343762 [0,0,0,0,0,0|4,0,0]=4 114 B12R1.127 CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000070787 [0,0,0,0,0,0|4,0,0]=4 115 B12R1.127 CC(=O)Nc1cc(ccc1F)I 11a_100011464823_100015343762 [0,0,0,0,0,0|4,0,0]=4 116 B12R1.127 CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100015343762 [0,0,0,0,0,0|4,0,0]=4 117 B12R1.127 CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100015343762 [0,0,0,0,0,0|3,0,0]=3 118 B12R1.127 CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000070787 [0,0,0,0,0,0|3,0,0]=3 119 B12R1.127 CC(=O)Nc1cc(ccc1F)O 271570a_203496583355_200011951791 [0,0,0,0,0,0|3,0,0]=3 120 B12R1.127 CC(=O)Nc1cc(ccc1F)O 527a_100012017239_100103153847 [0,0,0,0,0,0|3,0,0]=3 121 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 11a_100000743836_100015343762 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.127 CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100015343762 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,0,0,0,0,0|4,0,0]=4 124 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,0,0,0,0,0|4,0,0]=4 125 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 11a_100000761886_100015343762 [0,0,0,0,0,0|4,0,0]=4 126 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100015343762 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.127 CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000070787 [0,0,0,0,0,0|4,0,0]=4 128 B12R1.127 CC(=O)Nc1cc(ccc1I)F 11a_100011218093_100015343762 [0,0,0,0,0,0|4,0,0]=4 129 B12R1.127 CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100015343762 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,0,0,0,0,0|3,0,0]=3 131 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,0,0,0,0,0|3,0,0]=3 132 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,0,0,0,0,0|3,0,0]=3 133 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,0,0,0,0,0|3,0,0]=3 134 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,0,0,0,0,0|3,0,0]=3 135 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,0,0,0,0,0|3,0,0]=3 136 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,0,0,0,0,0|3,0,0]=3 137 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,0,0,0,0,0|3,0,0]=3 138 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,0,0,0,0,0|3,0,0]=3 139 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,0,0,0,0,0|3,0,0]=3 140 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,0,0,0,0,0|3,0,0]=3 141 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,0,0,0,0,0|3,0,0]=3 142 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,0,0,0,0,0|3,0,0]=3 144 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,0,0,0,0,0|3,0,0]=3 145 B12R1.127 CC(C)Sc1cc(ccc1O)O 62a_100000210206_100009813629 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.127 CN(C)Cc1cc(ccc1F)O 271570a_203496583355_100011597561 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.127 CN(C)Cc1cc(ccc1O)Br 2230a_100011602694_200000210301 [0,0,0,0,0,0|4,0,0]=4 148 B12R1.127 CN(C)Cc1cc(ccc1O)Br 269982a_100011602694_200000210301 [0,0,0,0,0,0|4,0,0]=4 149 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 2230a_100000712467_200000210301 [0,0,0,0,0,0|4,0,0]=4 150 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 269982a_100000712467_200000210301 [0,0,0,0,0,0|4,0,0]=4 151 B12R1.127 CN(C)Cc1cc(ccc1O)F 2230a_114855342409_200000210301 [0,0,0,0,0,0|4,0,0]=4 152 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_100102631434_100010161318 [0,0,0,0,0,0|4,0,0]=4 153 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_114855342409_200000210301 [0,0,0,0,0,0|4,0,0]=4 154 B12R1.127 CN(C)Cc1cc(ccc1O)F 34a_114855342409_200000210301 [0,0,0,0,0,0|4,0,0]=4 155 B12R1.127 CN(C)Cc1cc(ccc1O)O 271570a_203496583355_100011934597 [0,0,0,0,0,0|3,0,0]=3 156 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 2230a_100011602694_200025704644 [0,0,0,0,0,0|4,0,0]=4 157 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 269982a_100011602694_200025704644 [0,0,0,0,0,0|4,0,0]=4 158 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 2230a_100000712467_200025704644 [0,0,0,0,0,0|4,0,0]=4 159 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 269982a_100000712467_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 2230a_114855342409_200025704644 [0,0,0,0,0,0|4,0,0]=4 161 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 269982a_114855342409_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 34a_114855342409_200025704644 [0,0,0,0,0,0|4,0,0]=4 163 B12R1.127 Cc1ccc(=O)n(c1)CC(=O)[13CH3] 1458a_100009850670_200025704644 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,0,0,0,0,0|3,0,0]=3 165 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,0,0,0,0,0|3,0,0]=3 166 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,0,0,0,0,0|3,0,0]=3 167 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,0,0,0,0,0|3,0,0]=3 168 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,0,0,0,0,0|3,0,0]=3 169 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_200025704644 [0,0,0,0,0,0|3,0,0]=3 170 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_200025704644 [0,0,0,0,0,0|3,0,0]=3 171 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Br)F 1458a_100000690878_200025704644 [0,0,0,0,0,0|3,0,0]=3 172 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_200025704644 [0,0,0,0,0,0|3,0,0]=3 173 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_200025704644 [0,0,0,0,0,0|3,0,0]=3 174 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_200025704644 [0,0,0,0,0,0|3,0,0]=3 175 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Br 1458a_100000690877_200025704644 [0,0,0,0,0,0|3,0,0]=3 176 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_200025704644 [0,0,0,0,0,0|3,0,0]=3 177 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1F)F 1458a_100000762760_200025704644 [0,0,0,0,0,0|3,0,0]=3 178 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,0,0,0,0,0|2,0,0]=2 179 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,0,0,0,0,0|1,0,0]=1 180 B12R1.127 [13CH3]C(=O)Cn1cc(ccc1=O)Br 1458a_200000738489_200025704644 [0,0,0,0,0,0|3,0,1]=4 181 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,0,0,0,0,0|2,0,1]=4 182 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,0,0,0,0,0|2,0,0]=3 183 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,0,0,0,0,0|2,0,0]=3 184 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,0,0,0,0,0|2,0,0]=3 186 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,0,0,0,0,0|2,0,0]=3 187 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,0,0,0,0,0|2,0,0]=3 188 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,0,0,0,0,0|2,0,0]=3 189 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,0,0,0,0,0|2,0,0]=3 190 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,0,0,0,0,0|2,0,0]=3 192 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,0,0,0,0,0|1,0,0]=2 193 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,0,0,0,0,0|1,0,0]=2 194 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [1,0,0,0,0,0|3,0,0]=4 200 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [1,0,0,0,0,0|2,0,0]=3 210 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,0,0,0,0|2,0,0]=3 228 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,0,0,0,0|2,0,0]=3 232 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,0,0,0,0,0|3,0,0]=4 238 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,0,0,0,0,0|2,0,0]=3 239 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,0,0,0,0|1,0,0]=2 241 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,0,0,0,0|2,0,0]=3 242 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,0,0,0,0,0|2,0,0]=3 244 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,0,0,0,0,0|2,0,0]=3 245 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,0,0,0,0,0|2,0,0]=3 246 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,0,0,0,0,0|1,0,0]=2 247 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [1,0,0,0,0,0|3,0,0]=4 253 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,0,0,0,0,0|2,0,0]=3 256 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,0,0,0,0,0|2,0,0]=3 257 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,0,0,0,0|2,0,0]=3 259 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,0,0,0,0,0|2,0,0]=3 260 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,0,0,0,0,0|2,0,0]=3 261 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,0,0,0,0,0|2,0,0]=3 263 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,0,0,0,0,0|2,0,0]=3 264 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,0,0,0,0,0|2,0,0]=3 265 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,0,0|1,0,0]=2 266 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,0,0|1,0,0]=2 267 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,0,0|1,0,0]=2 268 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,0,0,0,0|3,0,0]=4 294 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,0,0,0,0|3,0,0]=4 298 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,0,0,0,0|3,0,0]=4 299 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,0,0,0,0|3,0,0]=4 300 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,0,0|2,0,0]=3 307 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,0,0|2,0,0]=3 308 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,0,0|2,0,0]=3 309 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,0,0|2,0,0]=3 310 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,0,0|2,0,0]=3 314 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [1,0,0,0,0,0|3,0,0]=4 316 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,0,0,0,0|2,0,0]=3 324 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,0,0|1,0,0]=2 326 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,0,0|2,0,0]=3 327 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,0,0,0,0,0|2,0,0]=3 328 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,0,0,0,0,0|2,0,0]=3 329 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,0,0,0,0,0|2,0,0]=3 330 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,0,0,0,0,0|2,0,0]=3 331 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,0,0|1,0,0]=2 332 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [1,0,0,0,0,0|3,0,0]=4 333 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [1,0,0,0,0,0|3,0,0]=4 338 B11R1.182 C=C=Cc1cc(ccc1O)O 271570a_100015277604_100009813629 [1,0,0,0,0,0|1,0,2]=4 339 B11R1.182 CC=Cc1cc(ccc1Br)O 271570a_100016259895_100012339312 [1,0,0,0,0,0|2,0,1]=4 340 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [1,0,0,0,0,0|2,0,1]=4 341 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [1,0,0,0,0,0|2,0,1]=4 342 B11R1.182 CC=Cc1cc(ccc1F)O 271570a_100016259895_100000693481 [1,0,0,0,0,0|2,0,1]=4 343 B11R1.182 CC=Cc1cc(ccc1N)O 271570a_100016259895_100012001276 [1,0,0,0,0,0|2,0,1]=4 344 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,0,0,0,0,0|2,0,1]=4 345 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,0,0,0,0,0|2,0,1]=4 346 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,0,0,0,0,0|2,0,1]=4 347 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,0,0,0,0,0|2,0,1]=4 348 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,0,0,0,0,0|2,0,1]=4 349 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,0,0,0,0,0|1,0,1]=3 350 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.182 CNCc1cc(ccc1C)O 271570a_203496583355_106744473289 [1,0,0,0,0,0|3,0,0]=4 352 B11R1.182 CNCc1cc(ccc1C)O 34a_200009844824_200000210301 [1,0,0,0,0,0|3,0,0]=4 353 B11R1.182 CNCc1cc(ccc1F)O 271570a_203496583355_100000748472 [1,0,0,0,0,0|3,0,0]=4 354 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,0,0,0,0,0|3,0,0]=4 355 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,0,0,0,0,0|3,0,0]=4 356 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,0,0,0,0,0|3,0,0]=4 357 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,0,0,0,0,0|2,0,0]=3 359 B11R1.182 COCc1cc(ccc1Br)O 271570a_203496583355_202125822959 [1,0,0,0,0,0|3,0,0]=4 360 B11R1.182 COCc1cc(ccc1F)O 271570a_203496583355_100010140362 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.182 Cc1ccc(c(c1)CC#N)O 271570a_203496583355_100010147026 [1,0,0,0,0,0|2,0,1]=4 365 B11R1.182 Cc1ccc(cc1CC#N)O 271570a_203496583355_100010147029 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.182 Cc1ccc(cc1CN[13CH3])O 34a_200009844824_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.182 N#CCc1cc(ccc1Br)O 271570a_203496583355_100010146707 [1,0,0,0,0,0|2,0,1]=4 368 B11R1.182 N#CCc1cc(ccc1F)O 271570a_203496583355_100000739769 [1,0,0,0,0,0|2,0,1]=4 369 B11R1.182 N#CCc1cc(ccc1N)O 271570a_203496583355_100010188562 [1,0,0,0,0,0|2,0,1]=4 370 B11R1.182 N#CCc1cc(ccc1O)F 271570a_203496583355_100011206898 [1,0,0,0,0,0|2,0,1]=4 371 B11R1.182 Oc1ccc(c(c1)SCF)O 62a_100015361967_100009813629 [1,0,0,0,0,0|2,0,1]=4 372 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,0,0,0,0,0|3,0,0]=4 374 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,0,0,0,0,0|3,0,0]=4 375 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [0,1,0,0,0,0|2,0,0]=3 377 B13R1.97 CC(=Cc1cc(ccc1O)CO)C 271570a_100102525489_100011191544 [0,1,0,0,0,0|2,0,1]=4 378 B13R1.97 CC(=O)Cc1cc(ccc1Br)C#N 1458a_100000070787_100012145668 [0,1,0,0,0,0|3,0,0]=4 379 B13R1.97 CC(=O)Cc1cc(ccc1F)C#N 1458a_100000070787_100000239971 [0,1,0,0,0,0|3,0,0]=4 380 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [0,1,0,0,0,0|1,1,0]=3 381 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [0,1,0,0,0,0|1,1,0]=3 382 B13R1.97 CC(=O)Nc1cc(ccc1C)CO 22a_100000758420_100000070787 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.97 CC(=O)Nc1cc(ccc1F)CO 22a_102125399562_100000070787 [0,1,0,0,0,0|3,0,0]=4 384 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 22a_100000766272_100000070787 [0,1,0,0,0,0|3,0,0]=4 385 B13R1.97 CC(=O)Nc1cc(ccc1O)C#N 527a_100000766272_100103153847 [0,1,0,0,0,0|3,0,0]=4 386 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000070787 [0,1,0,0,0,0|2,0,0]=3 387 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100103153847 [0,1,0,0,0,0|2,0,0]=3 388 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 34a_100000070259_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 7a_100000070259_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [0,1,0,0,0,0|3,0,0]=4 392 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_200000210301 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.97 COc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000685887 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100000761528 [0,1,0,0,0,0|2,0,0]=3 396 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000690513_200000210301 [0,1,0,0,0,0|2,0,0]=3 397 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000718613 [0,1,0,0,0,0|2,0,0]=3 398 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100010217559_200000210301 [0,1,0,0,0,0|2,0,0]=3 399 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100000070787_100010243555 [0,1,0,0,0,0|2,0,0]=3 400 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100009868546_200000210301 [0,1,0,0,0,0|2,0,0]=3 401 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100000690513_200025704644 [0,1,0,0,0,0|2,0,0]=3 402 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Cl 1458a_100010217559_200025704644 [0,1,0,0,0,0|2,0,0]=3 403 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100009868546_200025704644 [0,1,0,0,0,0|2,0,0]=3 404 B13R1.97 COc1ccc(c(c1)CN(C)C)O 271570a_203496583355_100000727244 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 11a_100000748603_100015343762 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 1626a_100000748603_100015343762 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 22a_100000748603_100000070787 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 11a_100000760359_100015343762 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 1626a_100000760359_100015343762 [0,1,0,0,0,0|3,0,0]=4 410 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 22a_100000760359_100000070787 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 527a_100000760359_100103153847 [0,1,0,0,0,0|3,0,0]=4 412 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 11a_100000745576_100015343762 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 1626a_100000745576_100015343762 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 22a_100000745576_100000070787 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 11a_100000764331_100015343762 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 1626a_100000764331_100015343762 [0,1,0,0,0,0|3,0,0]=4 417 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 22a_100000764331_100000070787 [0,1,0,0,0,0|3,0,0]=4 418 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 527a_100000764331_100103153847 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 11a_100000748021_100015343762 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 1626a_100000748021_100015343762 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 22a_100000748021_100000070787 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [0,1,0,0,0,0|2,0,0]=3 423 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [0,1,0,0,0,0|2,0,0]=3 424 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [0,1,0,0,0,0|2,0,0]=3 425 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [0,1,0,0,0,0|1,1,0]=3 426 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [0,1,0,0,0,0|1,1,0]=3 427 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100000070787_100010077255 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.876 CC(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200000210301 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)Cl 1458a_100000070787_100010220947 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100000070787_100009813697 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200000210301 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.876 CC(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000070787_100011830393 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100000070787_100012024439 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.876 CC(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.876 CC(=O)Cc1cc(c(cc1F)Cl)F 1458a_100000070787_200012361342 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)C 1458a_100000070787_100012347589 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100000070787_100010994231 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000070787_100011218792 [0,1,0,0,0,0|3,0,0]=4 441 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200000210301 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.876 CC(=O)Cc1cc(c(cc1F)F)I 1458a_100000070787_100019984567 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)O 22a_100009961766_100000070787 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)O 22a_100000092876_100000070787 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 22a_100000117193_100000070787 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 527a_100000117193_100103153847 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000070787 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 22a_100011219470_100000070787 [0,1,0,0,0,0|3,0,0]=4 449 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 271570a_203496583355_200013902858 [0,1,0,0,0,0|3,0,0]=4 450 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 527a_100011219470_100103153847 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 22a_200010781931_100000070787 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)Br 527a_200010781931_100103153847 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 22a_200010107346_100000070787 [0,1,0,0,0,0|3,0,0]=4 454 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 527a_200010107346_100103153847 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 22a_100013038943_100000070787 [0,1,0,0,0,0|3,0,0]=4 456 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)F 527a_100013038943_100103153847 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 22a_200010235796_100000070787 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Br 527a_200010235796_100103153847 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 22a_100133014134_100000070787 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 271570a_203496583355_100010006330 [0,1,0,0,0,0|3,0,0]=4 461 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 527a_100133014134_100103153847 [0,1,0,0,0,0|3,0,0]=4 462 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 22a_100000091707_100000070787 [0,1,0,0,0,0|3,0,0]=4 463 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)Cl 527a_100000091707_100103153847 [0,1,0,0,0,0|3,0,0]=4 464 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 22a_100013488937_100000070787 [0,1,0,0,0,0|3,0,0]=4 465 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Br 527a_100013488937_100103153847 [0,1,0,0,0,0|3,0,0]=4 466 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 22a_100000696747_100000070787 [0,1,0,0,0,0|3,0,0]=4 467 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)Cl 527a_100000696747_100103153847 [0,1,0,0,0,0|3,0,0]=4 468 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 22a_100011011175_100000070787 [0,1,0,0,0,0|3,0,0]=4 469 B13R1.876 CC(=O)Nc1cc(c(cc1O)Cl)I 527a_100011011175_100103153847 [0,1,0,0,0,0|3,0,0]=4 470 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 22a_100012359894_100000070787 [0,1,0,0,0,0|3,0,0]=4 471 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)Br 527a_100012359894_100103153847 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 22a_100012022779_100000070787 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 527a_100012022779_100103153847 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 22a_106722365970_100000070787 [0,1,0,0,0,0|3,0,0]=4 475 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 271570a_203496583355_100010198355 [0,1,0,0,0,0|3,0,0]=4 476 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)F 527a_106722365970_100103153847 [0,1,0,0,0,0|3,0,0]=4 477 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Br)F)F 1458a_100009828490_200025704644 [0,1,0,0,0,0|3,0,0]=4 478 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)Cl)F 1458a_100011219564_200025704644 [0,1,0,0,0,0|3,0,0]=4 479 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1Cl)F)F 1458a_100000062174_200025704644 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)Br)F 1458a_100010245136_200025704644 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)Cl 1458a_100010154639_200025704644 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.876 [13CH3]C(=O)Cc1cc(c(cc1F)F)F 1458a_100000690282_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B13R1.885 CC(=O)Cc1c(ccc(c1Br)Cl)F 1458a_100000070787_100011099539 [0,1,0,0,0,0|3,0,0]=4 484 B13R1.885 CC(=O)Cc1c(ccc(c1Br)F)F 1458a_100016070055_200000210301 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)Cl 1458a_100000070787_200010220899 [0,1,0,0,0,0|3,0,0]=4 486 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)F 1458a_100000038137_200000210301 [0,1,0,0,0,0|3,0,0]=4 487 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)C)F 1458a_100000070787_100009813558 [0,1,0,0,0,0|3,0,0]=4 488 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)Cl)F 1458a_100000062034_200000210301 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000037411_200000210301 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.885 CC(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000070787_100009813715 [0,1,0,0,0,0|3,0,0]=4 491 B13R1.885 CC(=O)Cc1c(ccc(c1F)Br)Cl 1458a_100000070787_100010993448 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)Cl 1458a_100000035286_200000210301 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)Cl 1458a_100000070787_100009813557 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)F 1458a_100000070787_100011217880 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.885 CC(=O)Cc1c(ccc(c1F)C)F 1458a_100011218906_200000210301 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)Br 1458a_100000070787_100011071994 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)Cl 1458a_100000070787_100009814555 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000038211_200000210301 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.885 CC(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000070787_100009813610 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Br 1458a_100000070787_100011070584 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Br 1458a_100010177769_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)Cl 1458a_100000070787_100010381632 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)F 1458a_100000042514_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.885 CC(=O)Cc1c(ccc(c1F)F)F 1458a_100000070787_100009813269 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 22a_100013039247_100000070787 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.885 CC(=O)Nc1c(ccc(c1C)Br)O 527a_100013039247_100103153847 [0,1,0,0,0,0|3,0,0]=4 507 B13R1.885 Cc1ccc(c(c1Cl)CC(=O)[13CH3])F 1458a_100000038137_200025704644 [0,1,0,0,0,0|3,0,0]=4 508 B13R1.885 Cc1ccc(c(c1F)CC(=O)[13CH3])Cl 1458a_100000035286_200025704644 [0,1,0,0,0,0|3,0,0]=4 509 B13R1.885 Cc1ccc(c(c1F)CC(=O)[13CH3])F 1458a_100011218906_200025704644 [0,1,0,0,0,0|3,0,0]=4 510 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Br)F)F 1458a_100016070055_200025704644 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Cl)Cl)F 1458a_100000062034_200025704644 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1Cl)F)F 1458a_100000037411_200025704644 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)Cl)F 1458a_100000038211_200025704644 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)F)Br 1458a_100010177769_200025704644 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.885 [13CH3]C(=O)Cc1c(ccc(c1F)F)F 1458a_100000042514_200025704644 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.897 CC(=C(C)c1cc(ccc1O)O)C 271570a_200000049429_100009813629 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.897 CC(=O)C(O)c1cc(ccc1C)C 1458a_100011497465_200000210301 [0,1,0,0,0,0|3,0,0]=4 518 B13R1.897 CC(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200000210301 [0,1,0,0,0,0|3,0,0]=4 519 B13R1.897 Cc1ccc(c(c1)C(O)C(=O)[13CH3])C 1458a_100011497465_200025704644 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.897 [13CH3]C(=O)C(O)c1cc(ccc1F)F 1458a_200011216140_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.2816 CC(=O)Cc1cc(cc(c1Br)F)F 1458a_100000070787_100015714476 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.2816 CC(=O)Cc1cc(cc(c1Cl)Br)I 1458a_100000070787_100021522891 [0,1,0,0,0,0|3,0,0]=4 523 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)C 1458a_100000070787_100015889675 [0,1,0,0,0,0|3,0,0]=4 524 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)F 1458a_100000070787_100009813678 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.2816 CC(=O)Cc1cc(cc(c1F)F)F 1458a_100011217549_200000210301 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000070787_200009814416 [0,1,0,0,0,0|2,0,0]=3 527 B13R1.2816 CC(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B13R1.2816 CC(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200000210301 [0,1,0,0,0,0|2,0,0]=3 529 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 22a_100010781877_100000070787 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Br 527a_100010781877_100103153847 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 22a_106741647128_100000070787 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)Cl 527a_106741647128_100103153847 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 22a_200011217456_100000070787 [0,1,0,0,0,0|3,0,0]=4 534 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Br)F 527a_200011217456_100103153847 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 11a_100011825904_100015343762 [0,1,0,0,0,0|3,0,0]=4 536 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 22a_100011825904_100000070787 [0,1,0,0,0,0|3,0,0]=4 537 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)Br 527a_100011825904_100103153847 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 11a_100011216242_100015343762 [0,1,0,0,0,0|3,0,0]=4 539 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 22a_100011216242_100000070787 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 527a_100011216242_100103153847 [0,1,0,0,0,0|3,0,0]=4 541 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 11a_100000130126_100015343762 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 22a_100000130126_100000070787 [0,1,0,0,0,0|3,0,0]=4 543 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)F 527a_100000130126_100103153847 [0,1,0,0,0,0|3,0,0]=4 544 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 22a_100000694353_100000070787 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Br 527a_100000694353_100103153847 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 22a_100000695819_100000070787 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.2816 CC(=O)Nc1cc(cc(c1O)Cl)Cl 527a_100000695819_100103153847 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 22a_100011217383_100000070787 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)Br 527a_100011217383_100103153847 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 1626a_100015205836_100015343762 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 22a_100015205836_100000070787 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.2816 CC(=O)Nc1cc(cc(c1O)F)F 527a_100015205836_100103153847 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 22a_100016071998_100000070787 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.2816 CC(=O)Nc1cc(cc(c1O)I)Br 527a_100016071998_100103153847 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1F)F)F 1458a_100011217549_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_200025704644 [0,1,0,0,0,0|2,0,0]=3 557 B13R1.2816 [13CH3]C(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_200025704644 [0,1,0,0,0,0|2,0,0]=3 558 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)Br 1458a_100000211873_100011982794 [0,1,0,0,0,0|3,0,0]=4 559 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000211873_100000733903 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)F 1458a_100000211873_100000736370 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.2872 C#CC(=O)Cc1cc(ccc1Br)I 1458a_100000211873_100012355412 [0,1,0,0,0,0|3,0,0]=4 562 B13R1.2872 C#CC(=O)Cc1cc(ccc1C)C 1458a_100000211873_100000184699 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.2872 C#CC(=O)Cc1cc(ccc1C)Cl 1458a_100000211873_100012186985 [0,1,0,0,0,0|3,0,0]=4 564 B13R1.2872 C#CC(=O)Cc1cc(ccc1C)F 1458a_100000211873_100000709795 [0,1,0,0,0,0|3,0,0]=4 565 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000211873_100000763347 [0,1,0,0,0,0|3,0,0]=4 566 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)C 1458a_100000211873_100009871730 [0,1,0,0,0,0|3,0,0]=4 567 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000211873_100000754809 [0,1,0,0,0,0|3,0,0]=4 568 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)F 1458a_100000211873_100000709952 [0,1,0,0,0,0|3,0,0]=4 569 B13R1.2872 C#CC(=O)Cc1cc(ccc1Cl)I 1458a_100000211873_100010188191 [0,1,0,0,0,0|3,0,0]=4 570 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)Br 1458a_100000211873_100000736399 [0,1,0,0,0,0|3,0,0]=4 571 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)C 1458a_100000211873_100011260760 [0,1,0,0,0,0|3,0,0]=4 572 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)Cl 1458a_100000211873_100000716957 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)F 1458a_100000211873_100000741279 [0,1,0,0,0,0|3,0,0]=4 574 B13R1.2872 C#CC(=O)Cc1cc(ccc1F)I 1458a_100000211873_200010149601 [0,1,0,0,0,0|3,0,0]=4 575 B13R1.2872 C#CC(=O)Cc1cc(ccc1I)Br 1458a_100000211873_100012362523 [0,1,0,0,0,0|3,0,0]=4 576 B13R1.2872 C#CC(=O)Cc1cc(ccc1I)Cl 1458a_100000211873_100012348826 [0,1,0,0,0,0|3,0,0]=4 577 B13R1.2872 C#CC(=O)Cc1cc(ccc1I)F 1458a_100000211873_100010149606 [0,1,0,0,0,0|3,0,0]=4 578 B13R1.2872 C#CC(=O)Cc1cc(ccc1O)F 1458a_100000211873_100010161318 [0,1,0,0,0,0|2,0,0]=3 579 B13R1.2872 C#CC(=O)Cc1nc(ccc1O)C 1458a_100000211873_100020630696 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)Br 1458a_100000185746_100011982794 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)Cl 1458a_100000185746_100000733903 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)F 1458a_100000185746_100000736370 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.2872 C=CC(=O)Cc1cc(ccc1Br)I 1458a_100000185746_100012355412 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.2872 C=CC(=O)Cc1cc(ccc1C)C 1458a_100000185746_100000184699 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.2872 C=CC(=O)Cc1cc(ccc1C)Cl 1458a_100000185746_100012186985 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.2872 C=CC(=O)Cc1cc(ccc1C)F 1458a_100000185746_100000709795 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)Br 1458a_100000185746_100000763347 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)C 1458a_100000185746_100009871730 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000185746_100000754809 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)F 1458a_100000185746_100000709952 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.2872 C=CC(=O)Cc1cc(ccc1Cl)I 1458a_100000185746_100010188191 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)Br 1458a_100000185746_100000736399 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)C 1458a_100000185746_100011260760 [0,1,0,0,0,0|3,0,0]=4 594 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)Cl 1458a_100000185746_100000716957 [0,1,0,0,0,0|3,0,0]=4 595 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)F 1458a_100000185746_100000741279 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.2872 C=CC(=O)Cc1cc(ccc1F)I 1458a_100000185746_200010149601 [0,1,0,0,0,0|3,0,0]=4 597 B13R1.2872 C=CC(=O)Cc1cc(ccc1I)Br 1458a_100000185746_100012362523 [0,1,0,0,0,0|3,0,0]=4 598 B13R1.2872 C=CC(=O)Cc1cc(ccc1I)Cl 1458a_100000185746_100012348826 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.2872 C=CC(=O)Cc1cc(ccc1I)F 1458a_100000185746_100010149606 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.2872 C=CC(=O)Cc1cc(ccc1O)F 1458a_100000185746_100010161318 [0,1,0,0,0,0|2,0,0]=3 601 B13R1.2872 C=CC(=O)Cc1nc(ccc1O)C 1458a_100000185746_100020630696 [0,1,0,0,0,0|3,0,0]=4 602 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000185746 [0,1,0,0,0,0|3,0,0]=4 603 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000185746 [0,1,0,0,0,0|3,0,0]=4 604 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000185746 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000185746 [0,1,0,0,0,0|3,0,0]=4 606 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000185746 [0,1,0,0,0,0|3,0,0]=4 607 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,1,0,0,0,0|3,0,0]=4 608 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000185746 [0,1,0,0,0,0|3,0,0]=4 609 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000185746 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000185746 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.2872 CC(CO)Sc1cc(ccc1O)O 62a_100012180447_100009813629 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100000210414_100011982794 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Br 1458a_100010004897_100000210202 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_100000210202 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000210414_100000733903 [0,1,0,0,0,0|3,0,0]=4 616 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000690875_100000210202 [0,1,0,0,0,0|3,0,0]=4 617 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000210414_100000736370 [0,1,0,0,0,0|3,0,0]=4 618 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)F 1458a_100000690878_100000210202 [0,1,0,0,0,0|3,0,0]=4 619 B13R1.2872 CCC(=O)Cc1cc(ccc1Br)I 1458a_100000210414_100012355412 [0,1,0,0,0,0|3,0,0]=4 620 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_100000210202 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000210414_100000184699 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.2872 CCC(=O)Cc1cc(ccc1C)C 1458a_100000749331_100000210202 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.2872 CCC(=O)Cc1cc(ccc1C)Cl 1458a_100000210414_100012186985 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100000210414_100000709795 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.2872 CCC(=O)Cc1cc(ccc1C)F 1458a_100011219217_100000210202 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100000210414_100000763347 [0,1,0,0,0,0|3,0,0]=4 627 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Br 1458a_100011600618_100000210202 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)C 1458a_100000210414_100009871730 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000210414_100000754809 [0,1,0,0,0,0|3,0,0]=4 630 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100000210202 [0,1,0,0,0,0|3,0,0]=4 631 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100000210414_100000709952 [0,1,0,0,0,0|3,0,0]=4 632 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)F 1458a_100011830335_100000210202 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.2872 CCC(=O)Cc1cc(ccc1Cl)I 1458a_100000210414_100010188191 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000210414_100000736399 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Br 1458a_100000690877_100000210202 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100000210414_100011260760 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.2872 CCC(=O)Cc1cc(ccc1F)C 1458a_100011667363_100000210202 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100000210414_100000716957 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.2872 CCC(=O)Cc1cc(ccc1F)Cl 1458a_100011217548_100000210202 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000210414_100000741279 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.2872 CCC(=O)Cc1cc(ccc1F)F 1458a_100000762760_100000210202 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.2872 CCC(=O)Cc1cc(ccc1F)I 1458a_100000210414_200010149601 [0,1,0,0,0,0|3,0,0]=4 643 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Br 1458a_100000210414_100012362523 [0,1,0,0,0,0|3,0,0]=4 644 B13R1.2872 CCC(=O)Cc1cc(ccc1I)Cl 1458a_100000210414_100012348826 [0,1,0,0,0,0|3,0,0]=4 645 B13R1.2872 CCC(=O)Cc1cc(ccc1I)F 1458a_100000210414_100010149606 [0,1,0,0,0,0|3,0,0]=4 646 B13R1.2872 CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210202 [0,1,0,0,0,0|2,0,0]=3 647 B13R1.2872 CCC(=O)Cc1cc(ccc1O)F 1458a_100000210414_100010161318 [0,1,0,0,0,0|2,0,0]=3 648 B13R1.2872 CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210202 [0,1,0,0,0,0|1,0,0]=2 649 B13R1.2872 CCC(=O)Cc1nc(ccc1O)C 1458a_100000210414_100020630696 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000210414 [0,1,0,0,0,0|3,0,0]=4 651 B13R1.2872 CCC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100000210414 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000210414 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.2872 CCC(=O)Nc1cc(ccc1C)O 527a_100011216113_100000210414 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100000210414 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000210414 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000210414 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.2872 CCC(=O)Nc1cc(ccc1F)O 527a_100012017239_100000210414 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210414 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210414 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210414 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210414 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210414 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.2872 CCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210414 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210414 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.2872 CCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210414 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 11a_106832991635_100010004897 [0,1,0,0,0,0|3,0,0]=4 669 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 240690a_100102657272_100010004897 [0,1,0,0,0,0|3,0,0]=4 670 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 527a_100102657272_100010004897 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 11a_106832991635_100010004923 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 1626a_100102657272_100010004923 [0,1,0,0,0,0|3,0,0]=4 673 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 240690a_100102657272_100010004923 [0,1,0,0,0,0|3,0,0]=4 674 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 527a_100102657272_100010004923 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 11a_106832991635_100000690875 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 1626a_100102657272_100000690875 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 240690a_100102657272_100000690875 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 527a_100102657272_100000690875 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 11a_106832991635_100000690878 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 1626a_100102657272_100000690878 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 240690a_100102657272_100000690878 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 527a_100102657272_100000690878 [0,1,0,0,0,0|3,0,0]=4 683 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,1,0,0,0,0|3,0,0]=4 687 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,1,0,0,0,0|3,0,0]=4 688 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,1,0,0,0,0|3,0,0]=4 689 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,1,0,0,0,0|3,0,0]=4 690 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,1,0,0,0,0|3,0,0]=4 691 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,1,0,0,0,0|3,0,0]=4 694 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,1,0,0,0,0|3,0,0]=4 695 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 11a_106832991635_100011600618 [0,1,0,0,0,0|3,0,0]=4 696 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 1626a_100102657272_100011600618 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 240690a_100102657272_100011600618 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 527a_100102657272_100011600618 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 11a_106832991635_100000748246 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000748246 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000748246 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 527a_100102657272_100000748246 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 11a_106832991635_100011830335 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 1626a_100102657272_100011830335 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 240690a_100102657272_100011830335 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 527a_100102657272_100011830335 [0,1,0,0,0,0|3,0,0]=4 707 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,1,0,0,0,0|3,0,0]=4 708 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,1,0,0,0,0|3,0,0]=4 709 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,1,0,0,0,0|3,0,0]=4 710 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,1,0,0,0,0|3,0,0]=4 713 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,1,0,0,0,0|3,0,0]=4 714 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,1,0,0,0,0|3,0,0]=4 715 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,1,0,0,0,0|3,0,0]=4 716 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,1,0,0,0,0|3,0,0]=4 717 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,1,0,0,0,0|3,0,0]=4 718 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,1,0,0,0,0|3,0,0]=4 721 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,1,0,0,0,0|2,0,0]=3 724 B13R1.2872 CNC(=O)Nc1cc(ccc1Br)O 2430a_100011999798_100102657272 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.2872 CNC(=O)Nc1cc(ccc1C)O 2430a_100011216113_100102657272 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)O 2430a_100011934297_100102657272 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.2872 CNC(=O)Nc1cc(ccc1F)O 2430a_100012017239_100102657272 [0,1,0,0,0,0|3,0,0]=4 728 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Br 2430a_100000752626_100102657272 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.2872 CNC(=O)Nc1cc(ccc1O)Cl 2430a_100000210500_100102657272 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.2872 CNC(=O)Nc1cc(ccc1O)F 2430a_100000759472_100102657272 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.2872 CNC(=O)Nc1cc(ccc1O)I 2430a_100000753495_100102657272 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.2872 COC(=O)Cc1cc(ccc1O)O 271570a_203496583355_100010185610 [0,1,0,0,0,0|0,0,0]=1 734 B13R1.2872 COC(C)Sc1cc(ccc1O)O 62a_100009879195_100009813629 [0,1,0,0,0,0|2,0,1]=4 735 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)O 62a_100016084084_100009813629 [0,1,0,0,0,0|2,0,1]=4 736 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)Br 1458a_100010004923_100015361967 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)C 1458a_100000749331_100015361967 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.2872 Cc1ccc(c(c1)CC(=O)CF)F 1458a_100011667363_100015361967 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,1,0,0,0,0|2,0,0]=3 740 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100009871730 [0,1,0,0,0,0|2,0,0]=3 741 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,1,0,0,0,0|2,0,0]=3 742 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,1,0,0,0,0|3,0,0]=4 743 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,1,0,0,0,0|3,0,0]=4 744 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,1,0,0,0,0|2,0,0]=3 747 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,1,0,0,0,0|2,0,0]=3 748 B13R1.2872 Cc1ccc(c(n1)CC(=O)CO)Cl 1458a_100000210174_200009852033 [0,1,0,0,0,0|3,0,0]=4 749 B13R1.2872 Cc1ccc(c(n1)CC(=O)CO)O 1458a_100000210174_100020630696 [0,1,0,0,0,0|2,0,0]=3 750 B13R1.2872 Cc1ccc(cc1CC(=O)CF)Br 1458a_100010244045_100015361967 [0,1,0,0,0,0|3,0,0]=4 751 B13R1.2872 Cc1ccc(cc1CC(=O)CF)F 1458a_100011219217_100015361967 [0,1,0,0,0,0|3,0,0]=4 752 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,1,0,0,0,0|2,0,0]=3 753 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,1,0,0,0,0|2,0,0]=3 754 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,1,0,0,0,0|3,0,0]=4 757 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,1,0,0,0,0|3,0,0]=4 759 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,1,0,0,0,0|2,0,0]=3 762 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,1,0,0,0,0|2,0,0]=3 763 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Br 1458a_100010004897_100015361967 [0,1,0,0,0,0|3,0,0]=4 764 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)Cl 1458a_100000690875_100015361967 [0,1,0,0,0,0|3,0,0]=4 765 B13R1.2872 O=C(CF)Cc1cc(ccc1Br)F 1458a_100000690878_100015361967 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Br 1458a_100011600618_100015361967 [0,1,0,0,0,0|3,0,0]=4 767 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100015361967 [0,1,0,0,0,0|3,0,0]=4 768 B13R1.2872 O=C(CF)Cc1cc(ccc1Cl)F 1458a_100011830335_100015361967 [0,1,0,0,0,0|3,0,0]=4 769 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Br 1458a_100000690877_100015361967 [0,1,0,0,0,0|3,0,0]=4 770 B13R1.2872 O=C(CF)Cc1cc(ccc1F)Cl 1458a_100011217548_100015361967 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.2872 O=C(CF)Cc1cc(ccc1F)F 1458a_100000762760_100015361967 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.2872 O=C(CF)Cc1cc(ccc1O)Br 1458a_100010072483_100015361967 [0,1,0,0,0,0|2,0,0]=3 773 B13R1.2872 O=C(CF)Cc1cc(ccc1O)O 1458a_100000038496_100015361967 [0,1,0,0,0,0|1,0,0]=2 774 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Br 1458a_100000210174_100011982794 [0,1,0,0,0,0|2,0,0]=3 775 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Cl 1458a_100000210174_100000733903 [0,1,0,0,0,0|2,0,0]=3 776 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)F 1458a_100000210174_100000736370 [0,1,0,0,0,0|2,0,0]=3 777 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)I 1458a_100000210174_100012355412 [0,1,0,0,0,0|2,0,0]=3 778 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Br 1458a_100000210174_100000763347 [0,1,0,0,0,0|2,0,0]=3 779 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Cl 1458a_100000210174_100000754809 [0,1,0,0,0,0|2,0,0]=3 780 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)F 1458a_100000210174_100000709952 [0,1,0,0,0,0|2,0,0]=3 781 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)I 1458a_100000210174_100010188191 [0,1,0,0,0,0|2,0,0]=3 782 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,1,0,0,0,0|2,0,0]=3 783 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,1,0,0,0,0|2,0,0]=3 785 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,1,0,0,0,0|2,0,0]=3 786 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Br 1458a_100000210174_100012362523 [0,1,0,0,0,0|2,0,0]=3 787 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Cl 1458a_100000210174_100012348826 [0,1,0,0,0,0|2,0,0]=3 788 B13R1.2872 O=C(CO)Cc1cc(ccc1I)F 1458a_100000210174_100010149606 [0,1,0,0,0,0|2,0,0]=3 789 B13R1.2872 O=C(CO)Cc1cc(ccc1O)F 1458a_100000210174_100010161318 [0,1,0,0,0,0|1,0,0]=2 790 B13R1.2872 O=C(CO)Cc1cc(cnc1Br)Br 1458a_100000210174_100010253922 [0,1,0,0,0,0|3,0,0]=4 791 B13R1.2872 O=C(CO)Cc1cc(cnc1Cl)Br 1458a_100000210174_100009816982 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.2872 O=C(CO)Cc1nc(ccc1Cl)Cl 1458a_100000210174_100000059412 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.2872 O=C(CO)Cc1nc(ccc1F)Br 1458a_100000210174_100010065826 [0,1,0,0,0,0|3,0,0]=4 794 B13R1.2872 O=C(CO)Cc1nc(ccc1F)Cl 1458a_100000210174_100009881012 [0,1,0,0,0,0|3,0,0]=4 795 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,1,0,0,0,0|2,0,0]=3 796 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,1,0,0,0,0|2,0,0]=3 797 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,1,0,0,0,0|2,0,0]=3 798 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,1,0,0,0,0|3,0,0]=4 800 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,1,0,0,0,0|2,0,0]=3 801 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,1,0,0,0,0|2,0,0]=3 802 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,1,0,0,0,0|3,0,0]=4 803 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,1,0,0,0,0|2,0,0]=3 804 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,1,0,0,0,0|2,0,0]=3 805 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,1,0,0,0,0|2,0,0]=3 806 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,1,0,0,0,0|2,0,0]=3 807 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,1,0,0,0,0|2,0,0]=3 808 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,1,0,0,0,0|2,0,0]=3 809 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,1,0,0,0,0|2,0,0]=3 811 B13R1.3089 CC(=Cc1cc(ccc1CO)O)C 271570a_100102525489_100010146404 [0,1,0,0,0,0|2,0,1]=4 812 B13R1.3089 CC(=O)Cc1cc(ccc1C#N)Br 1458a_100000070787_100000718229 [0,1,0,0,0,0|3,0,0]=4 813 B13R1.3089 CC(=O)Cc1cc(ccc1C#N)F 1458a_100000070787_100000759424 [0,1,0,0,0,0|3,0,0]=4 814 B13R1.3089 CC(=O)Cc1cc(ccc1C=O)F 1458a_100000070787_100010132768 [0,1,0,0,0,0|2,0,1]=4 815 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 34a_200010006938_200025704644 [0,1,0,0,0,0|2,0,0]=3 816 B13R1.3089 CC(=O)Cc1cc(ccc1O[13CH3])Br 7a_200010006938_200025704644 [0,1,0,0,0,0|2,0,0]=3 817 B13R1.3089 CC(=O)Nc1cc(ccc1CO)C 22a_100000087799_100000070787 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 34a_100000035807_200025704644 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 7a_100000035807_200025704644 [0,1,0,0,0,0|3,0,0]=4 820 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 34a_100000012038_200025704644 [0,1,0,0,0,0|3,0,0]=4 821 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])Cl 7a_100000012038_200025704644 [0,1,0,0,0,0|3,0,0]=4 822 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 34a_100000070259_200025704644 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])N 7a_100000070259_200025704644 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.3089 COc1ccc(cc1C=C(C)C)O 271570a_100102525489_100010084122 [0,1,0,0,0,0|2,0,1]=4 825 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000204665 [0,1,0,0,0,0|2,0,0]=3 826 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 1458a_100000763194_200000210301 [0,1,0,0,0,0|2,0,0]=3 827 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 34a_200010006938_200000210301 [0,1,0,0,0,0|2,0,0]=3 828 B13R1.3089 COc1ccc(cc1CC(=O)C)Br 7a_200010006938_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [0,1,0,0,0,0|2,0,0]=3 830 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [0,1,0,0,0,0|2,0,0]=3 831 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100000209806 [0,1,0,0,0,0|2,0,0]=3 832 B13R1.3089 COc1ccc(cc1CC(=O)C)Cl 1458a_100000209874_200000210301 [0,1,0,0,0,0|2,0,0]=3 833 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000070787_100011830354 [0,1,0,0,0,0|2,0,0]=3 834 B13R1.3089 COc1ccc(cc1CC(=O)C)F 1458a_100000707523_200000210301 [0,1,0,0,0,0|2,0,0]=3 835 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [0,1,0,0,0,0|1,0,0]=2 836 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Br 1458a_100000763194_200025704644 [0,1,0,0,0,0|2,0,0]=3 837 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [0,1,0,0,0,0|2,0,0]=3 838 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])Cl 1458a_100000209874_200025704644 [0,1,0,0,0,0|2,0,0]=3 839 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])F 1458a_100000707523_200025704644 [0,1,0,0,0,0|2,0,0]=3 840 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 11a_100000743470_100015343762 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 1626a_100000743470_100015343762 [0,1,0,0,0,0|3,0,0]=4 842 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 22a_100000743470_100000070787 [0,1,0,0,0,0|3,0,0]=4 843 B13R1.3089 COc1ccc(cc1NC(=O)C)Br 527a_100000743470_100103153847 [0,1,0,0,0,0|3,0,0]=4 844 B13R1.3089 COc1ccc(cc1NC(=O)C)C 11a_100000210980_100015343762 [0,1,0,0,0,0|3,0,0]=4 845 B13R1.3089 COc1ccc(cc1NC(=O)C)C 1626a_100000210980_100015343762 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.3089 COc1ccc(cc1NC(=O)C)C 22a_100000210980_100000070787 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.3089 COc1ccc(cc1NC(=O)C)C 34a_100000035807_200000210301 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.3089 COc1ccc(cc1NC(=O)C)C 527a_100000210980_100103153847 [0,1,0,0,0,0|3,0,0]=4 849 B13R1.3089 COc1ccc(cc1NC(=O)C)C 7a_100000035807_200000210301 [0,1,0,0,0,0|3,0,0]=4 850 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 11a_100000182114_100015343762 [0,1,0,0,0,0|3,0,0]=4 851 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 1626a_100000182114_100015343762 [0,1,0,0,0,0|3,0,0]=4 852 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 22a_100000182114_100000070787 [0,1,0,0,0,0|3,0,0]=4 853 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 34a_100000012038_200000210301 [0,1,0,0,0,0|3,0,0]=4 854 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl 7a_100000012038_200000210301 [0,1,0,0,0,0|3,0,0]=4 855 B13R1.3089 COc1ccc(cc1NC(=O)C)F 11a_100000757179_100015343762 [0,1,0,0,0,0|3,0,0]=4 856 B13R1.3089 COc1ccc(cc1NC(=O)C)F 1626a_100000757179_100015343762 [0,1,0,0,0,0|3,0,0]=4 857 B13R1.3089 COc1ccc(cc1NC(=O)C)F 22a_100000757179_100000070787 [0,1,0,0,0,0|3,0,0]=4 858 B13R1.3089 COc1ccc(cc1NC(=O)C)F 527a_100000757179_100103153847 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.3089 COc1ccc(cc1NC(=O)C)I 11a_100011249504_100015343762 [0,1,0,0,0,0|3,0,0]=4 860 B13R1.3089 COc1ccc(cc1NC(=O)C)I 1626a_100011249504_100015343762 [0,1,0,0,0,0|3,0,0]=4 861 B13R1.3089 COc1ccc(cc1NC(=O)C)I 22a_100011249504_100000070787 [0,1,0,0,0,0|3,0,0]=4 862 B13R1.3089 COc1ccc(cc1NC(=O)C)N 34a_100000070259_200000210301 [0,1,0,0,0,0|3,0,0]=4 863 B13R1.3089 COc1ccc(cc1NC(=O)C)N 7a_100000070259_200000210301 [0,1,0,0,0,0|3,0,0]=4 864 B13R1.3089 COc1ccc(cc1NC(=O)C)O 271570a_203496583355_200011407902 [0,1,0,0,0,0|2,0,0]=3 865 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [0,1,0,0,0,0|2,0,0]=3 866 B13R1.3089 COc1ncc(cc1CC(=O)C)Br 1458a_100000070787_100010065838 [0,1,0,0,0,0|3,0,0]=4 867 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,0,0,1,0,0|2,0,0]=3 868 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,0,0,1,0,0|3,0,0]=4 869 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,0,0,1,0,0|2,0,0]=3 870 B13R2.155 O=C1COc2ccc(nc2N1)O 271570a_203496583355_100010235088 [0,0,0,1,0,0|3,0,0]=4 871 B13R2.155 O=C1COc2ncc(cc2N1)O 271570a_203496583355_100000699640 [0,0,0,1,0,0|3,0,0]=4 872 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [0,0,0,1,0,0|2,1,0]=4 873 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [0,0,0,1,0,0|3,0,0]=4 874 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [0,0,0,1,0,0|2,0,0]=3 875 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,0,0,1,0,0|3,0,0]=4 876 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [0,0,0,1,0,0|2,0,1]=4 877 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [0,0,0,1,0,0|3,0,0]=4 878 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [0,0,0,1,0,0|3,0,0]=4 879 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [0,0,0,1,0,0|2,0,1]=4 880 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [0,0,0,1,0,0|2,0,1]=4 881 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [0,0,0,1,0,0|2,0,1]=4 882 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [0,0,0,1,0,0|3,0,0]=4 883 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [0,0,0,1,0,0|3,0,0]=4 884 B13R2.5139 O=C1Cc2c(ccc(c2N1)F)O 271570a_203496583355_100012355367 [0,0,0,1,0,0|2,0,0]=3 885 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,0,0,0,1,0|3,0,0]=4 886 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,0,0,0,1,0|3,0,0]=4 887 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,0,0,0,1,0|3,0,0]=4 888 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,0,0,0,1,0|3,0,0]=4 889 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,0,0,0,1,0|3,0,0]=4 890 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,0,0,0,1,0|3,0,0]=4 891 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,0,0,0,1,0|3,0,0]=4 892 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,0,0,0,1,0|3,0,0]=4 893 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,0,0,0,1,0|3,0,0]=4 894 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,0,0,0,1,0|3,0,0]=4 895 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,0,0,0,1,0|2,0,0]=3 896 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,0,0,0,1,0|3,0,0]=4 897 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,0,0,0,1,0|3,0,0]=4 898 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,0,0,0,1,0|3,0,0]=4 899 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,0,0,0,1,0|3,0,0]=4 900 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,0,0,0,1,0|3,0,0]=4 901 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,0,0,0,1,0|2,0,0]=3 902 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,0,0,0,1,0|3,0,0]=4 903 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,0,0,0,1,0|3,0,0]=4 904 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,0,0,0,1,0|3,0,0]=4 905 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,0,0,0,1,0|3,0,0]=4 906 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,0,0,0,1,0|3,0,0]=4 907 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,0,0,0,1,0|2,0,0]=3 908 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,0,0,0,1,0|2,0,0]=3 909 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,0,0,0,1,0|3,0,0]=4 910 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,0,0,0,1,0|3,0,0]=4 911 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,0,0,0,1,0|3,0,0]=4 912 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,0,0,0,1,0|3,0,0]=4 913 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,0,0,0,1,0|3,0,0]=4 914 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,0,0,0,1,0|2,0,0]=3 915 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,0,0,0,1,0|2,0,0]=3 916 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,0,0,0,1,0|3,0,0]=4 917 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,0,0,0,1,0|3,0,0]=4 918 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,0,0,0,1,0|3,0,0]=4 919 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,0,0,0,1,0|3,0,0]=4 920 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,0,0,0,1,0|3,0,0]=4 921 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,0,0,0,1,0|2,0,0]=3 922 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,0,0,0,1,0|2,0,0]=3 923 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,0,0,0,1,0|3,0,0]=4 924 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,0,0,0,1,0|3,0,0]=4 925 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,0,0,0,1,0|3,0,0]=4 926 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,0,0,0,1,0|3,0,0]=4 927 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,0,0,0,1,0|3,0,0]=4 928 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,0,0,0,1,0|2,0,0]=3 929 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,0,0,0,1,0|2,0,0]=3 930 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,0,0,0,1,0|2,0,0]=3 931 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,0,0,0,1,0|2,0,0]=3 932 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,0,0,0,1,0|2,0,0]=3 933 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,0,0,0,1,0|2,0,0]=3 934 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,0,0,0,1,0|2,0,0]=3 935 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,0,0,0,1,0|2,0,0]=3 936 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,0,0,0,1,0|2,0,0]=3 937 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,0,0,0,1,0|2,0,0]=3 938 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,0,0,0,1,0|2,0,0]=3 939 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,0,0,0,1,0|1,0,0]=2 940 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,0,0,0,1,0|1,0,0]=2 941 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,0,0,0,1,0|3,0,0]=4 942 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,0,0,0,1,0|3,0,0]=4 943 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,0,0,0,1,0|3,0,0]=4 944 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,0,0,0,1,0|3,0,0]=4 945 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,0,0,0,1,0|3,0,0]=4 946 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,0,0,0,1,0|3,0,0]=4 947 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,0,0,0,1,0|2,0,1]=4 948 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,0,0,0,1,0|2,0,1]=4 949 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,0,0,0,1,0|3,0,0]=4 950 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,0,0,0,1,0|2,0,1]=4 951 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,0,0,0,1,0|2,0,1]=4 952 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,0,0,0,1,0|2,0,0]=3 953 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,0,0,0,1,0|3,0,0]=4 954 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,0,0,0,1,0|3,0,0]=4 955 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,0,0,0,1,0|3,0,0]=4 956 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,0,0,0,1,0|3,0,0]=4 957 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,0,0,0,1,0|3,0,0]=4 958 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,0,0,0,1,0|2,0,0]=3 959 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [0,0,0,0,1,0|2,0,1]=4 960 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,0,0,0,1,0|2,0,0]=3 961 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,0,0,0,1,0|3,0,0]=4 962 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,0,0,0,1,0|3,0,0]=4 963 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,0,0,0,1,0|3,0,0]=4 964 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,0,0,0,1,0|3,0,0]=4 965 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,0,0,0,1,0|2,0,0]=3 966 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,0,0,0,1,0|2,0,0]=3 967 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,0,0,0,1,0|2,0,0]=3 968 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,0,0,0,1,0|2,0,0]=3 969 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,0,0,0,1,0|2,0,0]=3 970 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,0,0,0,1,0|2,0,0]=3 971 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,0,0,0,1,0|1,0,0]=2 972 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,0,0,0,1,0|3,0,0]=4 973 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,0,0,0,1,0|3,0,0]=4 974 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [0,0,0,0,1,0|3,0,0]=4 975 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [0,0,0,0,1,0|3,0,0]=4 976 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,0,0,0,1,0|3,0,0]=4 977 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,0,0,0,1,0|3,0,0]=4 978 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [0,0,0,0,1,0|2,0,1]=4 979 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [0,0,0,0,1,0|2,0,1]=4 980 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,0,0,0,1,0|2,0,1]=4 981 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,0,0,0,1,0|1,0,1]=3 982 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,0,0,0,1,0|3,0,0]=4 983 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,0,0,0,1,0|3,0,0]=4 984 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,0,0,0,1,0|3,0,0]=4 985 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,0,0,0,1,0|3,0,0]=4 986 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,0,0,0,1,0|2,0,0]=3 987 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,0,0,0,1,0|3,0,0]=4 988 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,0,0,0,1,0|3,0,0]=4 989 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,0,0,0,1,0|3,0,0]=4 990 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,0,0,0,1,0|3,0,0]=4 991 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,0,0,0,1,0|2,0,0]=3 992 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,0,0,0,1,0|3,0,0]=4 993 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,0,0,0,1,0|3,0,0]=4 994 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,0,0,0,1,0|3,0,0]=4 995 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,0,0,0,1,0|3,0,0]=4 996 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,0,0,0,1,0|2,0,0]=3 997 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,0,0,0,1,0|3,0,0]=4 998 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,0,0,0,1,0|3,0,0]=4 999 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,0,0,0,1,0|3,0,0]=4 1000 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,0,0,0,1,0|3,0,0]=4 1001 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,0,0,0,1,0|2,0,0]=3 1002 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,0,0,0,1,0|2,0,0]=3 1003 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,0,0,0,1,0|2,0,0]=3 1004 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,0,0,0,1,0|2,0,0]=3 1005 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,0,0,0,1,0|2,0,0]=3 1006 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,0,0,0,1,0|1,0,0]=2 1007 B13R1.893 C=C(C)CNc1cc(ccc1Br)O 34a_100011999798_100000748629 [0,0,0,0,0,1|3,0,0]=4 1008 B13R1.893 C=C(C)CNc1cc(ccc1C)O 34a_100011216113_100000748629 [0,0,0,0,0,1|3,0,0]=4 1009 B13R1.893 C=C(C)CNc1cc(ccc1Cl)O 34a_100011934297_100000748629 [0,0,0,0,0,1|3,0,0]=4 1010 B13R1.893 C=C(C)CNc1cc(ccc1F)O 34a_100012017239_100000748629 [0,0,0,0,0,1|3,0,0]=4 1011 B13R1.893 C=C(C)CNc1cc(ccc1O)Br 34a_100000752626_100000748629 [0,0,0,0,0,1|3,0,0]=4 1012 B13R1.893 C=C(C)CNc1cc(ccc1O)C 34a_100011215204_100000748629 [0,0,0,0,0,1|3,0,0]=4 1013 B13R1.893 C=C(C)CNc1cc(ccc1O)Cl 34a_100000210500_100000748629 [0,0,0,0,0,1|3,0,0]=4 1014 B13R1.893 C=C(C)CNc1cc(ccc1O)F 34a_100000759472_100000748629 [0,0,0,0,0,1|3,0,0]=4 1015 B13R1.893 C=C(C)CSc1cc(ccc1Br)O 62a_100000748629_100012339312 [0,0,0,0,0,1|3,0,0]=4 1016 B13R1.893 C=C(C)CSc1cc(ccc1Br)O 62a_100012339312_100000211660 [0,0,0,0,0,1|3,0,0]=4 1017 B13R1.893 C=C(C)CSc1cc(ccc1C)O 62a_100000748629_100011380479 [0,0,0,0,0,1|3,0,0]=4 1018 B13R1.893 C=C(C)CSc1cc(ccc1C)O 62a_100011380479_100000211660 [0,0,0,0,0,1|3,0,0]=4 1019 B13R1.893 C=C(C)CSc1cc(ccc1Cl)O 62a_100000049588_100000211660 [0,0,0,0,0,1|3,0,0]=4 1020 B13R1.893 C=C(C)CSc1cc(ccc1Cl)O 62a_100000748629_100000049588 [0,0,0,0,0,1|3,0,0]=4 1021 B13R1.893 C=C(C)CSc1cc(ccc1F)O 62a_100000693481_100000211660 [0,0,0,0,0,1|3,0,0]=4 1022 B13R1.893 C=C(C)CSc1cc(ccc1F)O 62a_100000748629_100000693481 [0,0,0,0,0,1|3,0,0]=4 1023 B13R1.893 C=C(C)CSc1cc(ccc1N)O 62a_100000748629_100012001276 [0,0,0,0,0,1|3,0,0]=4 1024 B13R1.893 C=C(C)CSc1cc(ccc1N)O 62a_100012001276_100000211660 [0,0,0,0,0,1|3,0,0]=4 1025 B13R1.893 C=C(C)CSc1cc(ccc1O)Br 62a_100000748629_100012355227 [0,0,0,0,0,1|3,0,0]=4 1026 B13R1.893 C=C(C)CSc1cc(ccc1O)Br 62a_100012355227_100000211660 [0,0,0,0,0,1|3,0,0]=4 1027 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000748629_100000765521 [0,0,0,0,0,1|3,0,0]=4 1028 B13R1.893 C=C(C)CSc1cc(ccc1O)C 62a_100000765521_100000211660 [0,0,0,0,0,1|3,0,0]=4 1029 B13R1.893 C=C(C)CSc1cc(ccc1O)Cl 62a_100000748629_100011356953 [0,0,0,0,0,1|3,0,0]=4 1030 B13R1.893 C=C(C)CSc1cc(ccc1O)Cl 62a_100011356953_100000211660 [0,0,0,0,0,1|3,0,0]=4 1031 B13R1.893 C=C(C)CSc1cc(ccc1O)F 62a_100000211999_100000211660 [0,0,0,0,0,1|3,0,0]=4 1032 B13R1.893 C=C(C)CSc1cc(ccc1O)F 62a_100000748629_100000211999 [0,0,0,0,0,1|3,0,0]=4 1033 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100000748629_100011534360 [0,0,0,0,0,1|3,0,0]=4 1034 B13R1.893 C=C(C)CSc1cc(ccc1O)N 62a_100011534360_100000211660 [0,0,0,0,0,1|3,0,0]=4 1035 B13R1.893 C=C(C)CSc1cc(ccc1O)O 62a_100000748629_100009813629 [0,0,0,0,0,1|2,0,0]=3 1036 B13R1.893 C=C(F)CNc1cc(ccc1Br)O 34a_100011999798_100009893438 [0,0,0,0,0,1|3,0,0]=4 1037 B13R1.893 C=C(F)CNc1cc(ccc1C)O 34a_100011216113_100009893438 [0,0,0,0,0,1|3,0,0]=4 1038 B13R1.893 C=C(F)CNc1cc(ccc1Cl)O 34a_100011934297_100009893438 [0,0,0,0,0,1|3,0,0]=4 1039 B13R1.893 C=C(F)CNc1cc(ccc1F)O 34a_100012017239_100009893438 [0,0,0,0,0,1|3,0,0]=4 1040 B13R1.893 C=C(F)CNc1cc(ccc1O)Br 34a_100000752626_100009893438 [0,0,0,0,0,1|3,0,0]=4 1041 B13R1.893 C=C(F)CNc1cc(ccc1O)C 34a_100011215204_100009893438 [0,0,0,0,0,1|3,0,0]=4 1042 B13R1.893 C=C(F)CNc1cc(ccc1O)Cl 34a_100000210500_100009893438 [0,0,0,0,0,1|3,0,0]=4 1043 B13R1.893 C=C(F)CNc1cc(ccc1O)F 34a_100000759472_100009893438 [0,0,0,0,0,1|3,0,0]=4 1044 B13R1.893 C=C(F)CSc1cc(ccc1Br)O 62a_100000042424_100012339312 [0,0,0,0,0,1|3,0,0]=4 1045 B13R1.893 C=C(F)CSc1cc(ccc1Br)O 62a_100012339312_100000042424 [0,0,0,0,0,1|3,0,0]=4 1046 B13R1.893 C=C(F)CSc1cc(ccc1C)O 62a_100000042424_100011380479 [0,0,0,0,0,1|3,0,0]=4 1047 B13R1.893 C=C(F)CSc1cc(ccc1C)O 62a_100011380479_100000042424 [0,0,0,0,0,1|3,0,0]=4 1048 B13R1.893 C=C(F)CSc1cc(ccc1Cl)O 62a_100000042424_100000049588 [0,0,0,0,0,1|3,0,0]=4 1049 B13R1.893 C=C(F)CSc1cc(ccc1Cl)O 62a_100000049588_100000042424 [0,0,0,0,0,1|3,0,0]=4 1050 B13R1.893 C=C(F)CSc1cc(ccc1F)O 62a_100000042424_100000693481 [0,0,0,0,0,1|3,0,0]=4 1051 B13R1.893 C=C(F)CSc1cc(ccc1F)O 62a_100000693481_100000042424 [0,0,0,0,0,1|3,0,0]=4 1052 B13R1.893 C=C(F)CSc1cc(ccc1N)O 62a_100000042424_100012001276 [0,0,0,0,0,1|3,0,0]=4 1053 B13R1.893 C=C(F)CSc1cc(ccc1N)O 62a_100012001276_100000042424 [0,0,0,0,0,1|3,0,0]=4 1054 B13R1.893 C=C(F)CSc1cc(ccc1O)Br 62a_100000042424_100012355227 [0,0,0,0,0,1|3,0,0]=4 1055 B13R1.893 C=C(F)CSc1cc(ccc1O)Br 62a_100012355227_100000042424 [0,0,0,0,0,1|3,0,0]=4 1056 B13R1.893 C=C(F)CSc1cc(ccc1O)C 62a_100000042424_100000765521 [0,0,0,0,0,1|3,0,0]=4 1057 B13R1.893 C=C(F)CSc1cc(ccc1O)C 62a_100000765521_100000042424 [0,0,0,0,0,1|3,0,0]=4 1058 B13R1.893 C=C(F)CSc1cc(ccc1O)Cl 62a_100000042424_100011356953 [0,0,0,0,0,1|3,0,0]=4 1059 B13R1.893 C=C(F)CSc1cc(ccc1O)Cl 62a_100011356953_100000042424 [0,0,0,0,0,1|3,0,0]=4 1060 B13R1.893 C=C(F)CSc1cc(ccc1O)F 62a_100000042424_100000211999 [0,0,0,0,0,1|3,0,0]=4 1061 B13R1.893 C=C(F)CSc1cc(ccc1O)F 62a_100000211999_100000042424 [0,0,0,0,0,1|3,0,0]=4 1062 B13R1.893 C=C(F)CSc1cc(ccc1O)N 62a_100000042424_100011534360 [0,0,0,0,0,1|3,0,0]=4 1063 B13R1.893 C=C(F)CSc1cc(ccc1O)N 62a_100011534360_100000042424 [0,0,0,0,0,1|3,0,0]=4 1064 B13R1.893 C=C(F)CSc1cc(ccc1O)O 62a_100000042424_100009813629 [0,0,0,0,0,1|2,0,0]=3 1065 B13R1.893 CC(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200000210301 [0,0,0,0,0,1|3,0,0]=4 1066 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [0,0,0,0,0,1|3,0,0]=4 1067 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [0,0,0,0,0,1|3,0,0]=4 1068 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200000210301 [0,0,0,0,0,1|3,0,0]=4 1069 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200000210301 [0,0,0,0,0,1|3,0,0]=4 1070 B13R1.893 CC(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200000210301 [0,0,0,0,0,1|3,0,0]=4 1071 B13R1.893 CC(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200000210301 [0,0,0,0,0,1|3,0,0]=4 1072 B13R1.893 CC(=O)CCc1cc(ccc1F)C 1458a_100011934859_200000210301 [0,0,0,0,0,1|3,0,0]=4 1073 B13R1.893 CC(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200000210301 [0,0,0,0,0,1|3,0,0]=4 1074 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000070787_100011755056 [0,0,0,0,0,1|3,0,0]=4 1075 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000744313_200000210301 [0,0,0,0,0,1|3,0,0]=4 1076 B13R1.893 CC(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200000210301 [0,0,0,0,0,1|3,0,0]=4 1077 B13R1.893 CC(=O)COc1cc(ccc1C)C 1458a_100000182428_200000210301 [0,0,0,0,0,1|3,0,0]=4 1078 B13R1.893 CC(=O)COc1cc(ccc1Cl)C 1458a_100000183693_200000210301 [0,0,0,0,0,1|3,0,0]=4 1079 B13R1.893 CC(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200000210301 [0,0,0,0,0,1|3,0,0]=4 1080 B13R1.893 CC(=O)COc1cc(ccc1F)F 1458a_100000752474_200000210301 [0,0,0,0,0,1|3,0,0]=4 1081 B13R1.893 CC(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200000210301 [0,0,0,0,0,1|3,0,0]=4 1082 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 11a_100000707832_100015343762 [0,0,0,0,0,1|3,0,0]=4 1083 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 1626a_100000707832_100015343762 [0,0,0,0,0,1|3,0,0]=4 1084 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 240690a_100000707832_100015343762 [0,0,0,0,0,1|3,0,0]=4 1085 B13R1.893 CC(=O)NCc1cc(ccc1Br)Br 527a_100000707832_100103153847 [0,0,0,0,0,1|3,0,0]=4 1086 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 11a_100000742738_100015343762 [0,0,0,0,0,1|3,0,0]=4 1087 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 1626a_100000742738_100015343762 [0,0,0,0,0,1|3,0,0]=4 1088 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 240690a_100000742738_100015343762 [0,0,0,0,0,1|3,0,0]=4 1089 B13R1.893 CC(=O)NCc1cc(ccc1Br)F 527a_100000742738_100103153847 [0,0,0,0,0,1|3,0,0]=4 1090 B13R1.893 CC(=O)NCc1cc(ccc1C)C 11a_100000174964_100015343762 [0,0,0,0,0,1|3,0,0]=4 1091 B13R1.893 CC(=O)NCc1cc(ccc1C)C 1626a_100000174964_100015343762 [0,0,0,0,0,1|3,0,0]=4 1092 B13R1.893 CC(=O)NCc1cc(ccc1C)C 240690a_100000174964_100015343762 [0,0,0,0,0,1|3,0,0]=4 1093 B13R1.893 CC(=O)NCc1cc(ccc1C)C 527a_100000174964_100103153847 [0,0,0,0,0,1|3,0,0]=4 1094 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 11a_100000717755_100015343762 [0,0,0,0,0,1|3,0,0]=4 1095 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 1626a_100000717755_100015343762 [0,0,0,0,0,1|3,0,0]=4 1096 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 240690a_100000717755_100015343762 [0,0,0,0,0,1|3,0,0]=4 1097 B13R1.893 CC(=O)NCc1cc(ccc1C)Cl 527a_100000717755_100103153847 [0,0,0,0,0,1|3,0,0]=4 1098 B13R1.893 CC(=O)NCc1cc(ccc1C)F 11a_100011217291_100015343762 [0,0,0,0,0,1|3,0,0]=4 1099 B13R1.893 CC(=O)NCc1cc(ccc1C)F 1626a_100011217291_100015343762 [0,0,0,0,0,1|3,0,0]=4 1100 B13R1.893 CC(=O)NCc1cc(ccc1C)F 240690a_100011217291_100015343762 [0,0,0,0,0,1|3,0,0]=4 1101 B13R1.893 CC(=O)NCc1cc(ccc1C)F 527a_100011217291_100103153847 [0,0,0,0,0,1|3,0,0]=4 1102 B13R1.893 CC(=O)NCc1cc(ccc1C)O 240690a_200009844824_100015343762 [0,0,0,0,0,1|2,0,0]=3 1103 B13R1.893 CC(=O)NCc1cc(ccc1C)O 527a_200009844824_100103153847 [0,0,0,0,0,1|2,0,0]=3 1104 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 11a_100025772652_100015343762 [0,0,0,0,0,1|3,0,0]=4 1105 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 1626a_100025772652_100015343762 [0,0,0,0,0,1|3,0,0]=4 1106 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 240690a_100025772652_100015343762 [0,0,0,0,0,1|3,0,0]=4 1107 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Br 527a_100025772652_100103153847 [0,0,0,0,0,1|3,0,0]=4 1108 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 11a_100025705715_100015343762 [0,0,0,0,0,1|3,0,0]=4 1109 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 1626a_100025705715_100015343762 [0,0,0,0,0,1|3,0,0]=4 1110 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 240690a_100025705715_100015343762 [0,0,0,0,0,1|3,0,0]=4 1111 B13R1.893 CC(=O)NCc1cc(ccc1Cl)C 527a_100025705715_100103153847 [0,0,0,0,0,1|3,0,0]=4 1112 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 11a_100102946428_100015343762 [0,0,0,0,0,1|3,0,0]=4 1113 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 1626a_100102946428_100015343762 [0,0,0,0,0,1|3,0,0]=4 1114 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 240690a_100102946428_100015343762 [0,0,0,0,0,1|3,0,0]=4 1115 B13R1.893 CC(=O)NCc1cc(ccc1Cl)Cl 527a_100102946428_100103153847 [0,0,0,0,0,1|3,0,0]=4 1116 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 11a_100011830483_100015343762 [0,0,0,0,0,1|3,0,0]=4 1117 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 1626a_100011830483_100015343762 [0,0,0,0,0,1|3,0,0]=4 1118 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 240690a_100011830483_100015343762 [0,0,0,0,0,1|3,0,0]=4 1119 B13R1.893 CC(=O)NCc1cc(ccc1Cl)F 527a_100011830483_100103153847 [0,0,0,0,0,1|3,0,0]=4 1120 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 11a_100009815772_100015343762 [0,0,0,0,0,1|3,0,0]=4 1121 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 1626a_100009815772_100015343762 [0,0,0,0,0,1|3,0,0]=4 1122 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 240690a_100009815772_100015343762 [0,0,0,0,0,1|3,0,0]=4 1123 B13R1.893 CC(=O)NCc1cc(ccc1F)Br 527a_100009815772_100103153847 [0,0,0,0,0,1|3,0,0]=4 1124 B13R1.893 CC(=O)NCc1cc(ccc1F)C 11a_100102693586_100015343762 [0,0,0,0,0,1|3,0,0]=4 1125 B13R1.893 CC(=O)NCc1cc(ccc1F)C 1626a_100102693586_100015343762 [0,0,0,0,0,1|3,0,0]=4 1126 B13R1.893 CC(=O)NCc1cc(ccc1F)C 240690a_100102693586_100015343762 [0,0,0,0,0,1|3,0,0]=4 1127 B13R1.893 CC(=O)NCc1cc(ccc1F)C 527a_100102693586_100103153847 [0,0,0,0,0,1|3,0,0]=4 1128 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 11a_100011211646_100015343762 [0,0,0,0,0,1|3,0,0]=4 1129 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 1626a_100011211646_100015343762 [0,0,0,0,0,1|3,0,0]=4 1130 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 240690a_100011211646_100015343762 [0,0,0,0,0,1|3,0,0]=4 1131 B13R1.893 CC(=O)NCc1cc(ccc1F)Cl 527a_100011211646_100103153847 [0,0,0,0,0,1|3,0,0]=4 1132 B13R1.893 CC(=O)NCc1cc(ccc1F)F 11a_100000752317_100015343762 [0,0,0,0,0,1|3,0,0]=4 1133 B13R1.893 CC(=O)NCc1cc(ccc1F)F 1626a_100000752317_100015343762 [0,0,0,0,0,1|3,0,0]=4 1134 B13R1.893 CC(=O)NCc1cc(ccc1F)F 240690a_100000752317_100015343762 [0,0,0,0,0,1|3,0,0]=4 1135 B13R1.893 CC(=O)NCc1cc(ccc1F)F 527a_100000752317_100103153847 [0,0,0,0,0,1|3,0,0]=4 1136 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100015343762 [0,0,0,0,0,1|2,0,0]=3 1137 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 527a_100000730032_100103153847 [0,0,0,0,0,1|2,0,0]=3 1138 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100015343762 [0,0,0,0,0,1|2,0,0]=3 1139 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100103153847 [0,0,0,0,0,1|2,0,0]=3 1140 B13R1.893 CC(C)CSc1cc(ccc1O)O 62a_100000210624_100009813629 [0,0,0,0,0,1|2,0,1]=4 1141 B13R1.893 CC(O)C=Cc1cc(ccc1O)O 271570a_200011019289_100009813629 [0,0,0,0,0,1|1,0,2]=4 1142 B13R1.893 CC(O)CNc1cc(ccc1Br)O 34a_100011999798_100011218427 [0,0,0,0,0,1|2,0,1]=4 1143 B13R1.893 CC(O)CNc1cc(ccc1Cl)O 34a_100011934297_100011218427 [0,0,0,0,0,1|2,0,1]=4 1144 B13R1.893 CC(O)CNc1cc(ccc1F)O 34a_100012017239_100011218427 [0,0,0,0,0,1|2,0,1]=4 1145 B13R1.893 CC(O)CNc1cc(ccc1O)Br 34a_100000752626_100011218427 [0,0,0,0,0,1|2,0,1]=4 1146 B13R1.893 CC(O)CNc1cc(ccc1O)Cl 34a_100000210500_100011218427 [0,0,0,0,0,1|2,0,1]=4 1147 B13R1.893 CC(O)CNc1cc(ccc1O)F 34a_100000759472_100011218427 [0,0,0,0,0,1|2,0,1]=4 1148 B13R1.893 CC(O)CSc1cc(ccc1Br)O 62a_100011218427_100012339312 [0,0,0,0,0,1|2,0,1]=4 1149 B13R1.893 CC(O)CSc1cc(ccc1Br)O 62a_100012339312_100011218427 [0,0,0,0,0,1|2,0,1]=4 1150 B13R1.893 CC(O)CSc1cc(ccc1Cl)O 62a_100000049588_100011218427 [0,0,0,0,0,1|2,0,1]=4 1151 B13R1.893 CC(O)CSc1cc(ccc1Cl)O 62a_100011218427_100000049588 [0,0,0,0,0,1|2,0,1]=4 1152 B13R1.893 CC(O)CSc1cc(ccc1F)O 62a_100000693481_100011218427 [0,0,0,0,0,1|2,0,1]=4 1153 B13R1.893 CC(O)CSc1cc(ccc1F)O 62a_100011218427_100000693481 [0,0,0,0,0,1|2,0,1]=4 1154 B13R1.893 CC(O)CSc1cc(ccc1N)O 62a_100011218427_100012001276 [0,0,0,0,0,1|2,0,1]=4 1155 B13R1.893 CC(O)CSc1cc(ccc1N)O 62a_100012001276_100011218427 [0,0,0,0,0,1|2,0,1]=4 1156 B13R1.893 CC(O)CSc1cc(ccc1O)Br 62a_100011218427_100012355227 [0,0,0,0,0,1|2,0,1]=4 1157 B13R1.893 CC(O)CSc1cc(ccc1O)Br 62a_100012355227_100011218427 [0,0,0,0,0,1|2,0,1]=4 1158 B13R1.893 CC(O)CSc1cc(ccc1O)Cl 62a_100011218427_100011356953 [0,0,0,0,0,1|2,0,1]=4 1159 B13R1.893 CC(O)CSc1cc(ccc1O)Cl 62a_100011356953_100011218427 [0,0,0,0,0,1|2,0,1]=4 1160 B13R1.893 CC(O)CSc1cc(ccc1O)F 62a_100000211999_100011218427 [0,0,0,0,0,1|2,0,1]=4 1161 B13R1.893 CC(O)CSc1cc(ccc1O)F 62a_100011218427_100000211999 [0,0,0,0,0,1|2,0,1]=4 1162 B13R1.893 CC(O)CSc1cc(ccc1O)N 62a_100011218427_100011534360 [0,0,0,0,0,1|2,0,1]=4 1163 B13R1.893 CC(O)CSc1cc(ccc1O)N 62a_100011534360_100011218427 [0,0,0,0,0,1|2,0,1]=4 1164 B13R1.893 CC(O)CSc1cc(ccc1O)O 62a_100011218427_100009813629 [0,0,0,0,0,1|1,0,1]=3 1165 B13R1.893 C[C@@H](O)CNc1cc(ccc1Br)O 34a_100011999798_100009817552 [0,0,0,0,0,1|2,0,1]=4 1166 B13R1.893 C[C@@H](O)CNc1cc(ccc1Cl)O 34a_100011934297_100009817552 [0,0,0,0,0,1|2,0,1]=4 1167 B13R1.893 C[C@@H](O)CNc1cc(ccc1F)O 34a_100012017239_100009817552 [0,0,0,0,0,1|2,0,1]=4 1168 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)Br 34a_100000752626_100009817552 [0,0,0,0,0,1|2,0,1]=4 1169 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)Cl 34a_100000210500_100009817552 [0,0,0,0,0,1|2,0,1]=4 1170 B13R1.893 C[C@@H](O)CNc1cc(ccc1O)F 34a_100000759472_100009817552 [0,0,0,0,0,1|2,0,1]=4 1171 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)O 62a_100009817552_100012339312 [0,0,0,0,0,1|2,0,1]=4 1172 B13R1.893 C[C@@H](O)CSc1cc(ccc1Br)O 62a_100012339312_100009817552 [0,0,0,0,0,1|2,0,1]=4 1173 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)O 62a_100000049588_100009817552 [0,0,0,0,0,1|2,0,1]=4 1174 B13R1.893 C[C@@H](O)CSc1cc(ccc1Cl)O 62a_100009817552_100000049588 [0,0,0,0,0,1|2,0,1]=4 1175 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)O 62a_100000693481_100009817552 [0,0,0,0,0,1|2,0,1]=4 1176 B13R1.893 C[C@@H](O)CSc1cc(ccc1F)O 62a_100009817552_100000693481 [0,0,0,0,0,1|2,0,1]=4 1177 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)O 62a_100009817552_100012001276 [0,0,0,0,0,1|2,0,1]=4 1178 B13R1.893 C[C@@H](O)CSc1cc(ccc1N)O 62a_100012001276_100009817552 [0,0,0,0,0,1|2,0,1]=4 1179 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Br 62a_100009817552_100012355227 [0,0,0,0,0,1|2,0,1]=4 1180 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Br 62a_100012355227_100009817552 [0,0,0,0,0,1|2,0,1]=4 1181 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Cl 62a_100009817552_100011356953 [0,0,0,0,0,1|2,0,1]=4 1182 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)Cl 62a_100011356953_100009817552 [0,0,0,0,0,1|2,0,1]=4 1183 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)F 62a_100000211999_100009817552 [0,0,0,0,0,1|2,0,1]=4 1184 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)F 62a_100009817552_100000211999 [0,0,0,0,0,1|2,0,1]=4 1185 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)N 62a_100009817552_100011534360 [0,0,0,0,0,1|2,0,1]=4 1186 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)N 62a_100011534360_100009817552 [0,0,0,0,0,1|2,0,1]=4 1187 B13R1.893 C[C@@H](O)CSc1cc(ccc1O)O 62a_100009817552_100009813629 [0,0,0,0,0,1|1,0,1]=3 1188 B13R1.893 Cc1cc(c(cn1)O)SCC(=O)N 62a_100000747473_100009843476 [0,0,0,0,0,1|3,0,0]=4 1189 B13R1.893 Cc1cc(c(cn1)O)SCC(=O)N 62a_100009843476_100000747473 [0,0,0,0,0,1|3,0,0]=4 1190 B13R1.893 Cc1cc(c(cn1)O)SCC(=O)[O-] 62a_100009843476_100020667443 [0,0,0,0,0,1|2,0,1]=4 1191 B13R1.893 Cc1cc(c(cn1)O)SCC(=O)[O-] 62a_100020667443_100009843476 [0,0,0,0,0,1|2,0,1]=4 1192 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [0,0,0,0,0,1|3,0,0]=4 1193 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])F 1458a_100011934859_200025704644 [0,0,0,0,0,1|3,0,0]=4 1194 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Br 34a_100000745044_100000187820 [0,0,0,0,0,1|3,0,0]=4 1195 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 2230a_100000185781_100000747473 [0,0,0,0,0,1|3,0,0]=4 1196 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 34a_100000185781_100000187820 [0,0,0,0,0,1|3,0,0]=4 1197 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 7a_100000185781_100000187820 [0,0,0,0,0,1|3,0,0]=4 1198 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Cl 34a_100011215360_100000187820 [0,0,0,0,0,1|3,0,0]=4 1199 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)F 34a_100000211285_100000187820 [0,0,0,0,0,1|3,0,0]=4 1200 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)I 34a_100011216686_100000187820 [0,0,0,0,0,1|3,0,0]=4 1201 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [0,0,0,0,0,1|2,0,0]=3 1202 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Br 34a_100000745044_100020667443 [0,0,0,0,0,1|2,0,1]=4 1203 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])C 34a_100000185781_100020667443 [0,0,0,0,0,1|2,0,1]=4 1204 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Cl 34a_100011215360_100020667443 [0,0,0,0,0,1|2,0,1]=4 1205 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])F 34a_100000211285_100020667443 [0,0,0,0,0,1|2,0,1]=4 1206 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])I 34a_100011216686_100020667443 [0,0,0,0,0,1|2,0,1]=4 1207 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [0,0,0,0,0,1|1,0,1]=3 1208 B13R1.893 Cc1ccc(c(c1)NCC(C)O)O 34a_100011215204_100011218427 [0,0,0,0,0,1|2,0,1]=4 1209 B13R1.893 Cc1ccc(c(c1)NC[C@@H](C)O)O 34a_100011215204_100009817552 [0,0,0,0,0,1|2,0,1]=4 1210 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])O 34a_100011215204_100000761209 [0,0,0,0,0,1|2,0,1]=4 1211 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 34a_100012002257_100000187820 [0,0,0,0,0,1|3,0,0]=4 1212 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 7a_100012002257_100000187820 [0,0,0,0,0,1|3,0,0]=4 1213 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 34a_100000210931_100000187820 [0,0,0,0,0,1|3,0,0]=4 1214 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 7a_100000210931_100000187820 [0,0,0,0,0,1|3,0,0]=4 1215 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 34a_100000211493_100000187820 [0,0,0,0,0,1|3,0,0]=4 1216 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 7a_100000211493_100000187820 [0,0,0,0,0,1|3,0,0]=4 1217 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 34a_100000759540_100000187820 [0,0,0,0,0,1|3,0,0]=4 1218 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 7a_100000759540_100000187820 [0,0,0,0,0,1|3,0,0]=4 1219 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 34a_100000211527_100000187820 [0,0,0,0,0,1|3,0,0]=4 1220 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 7a_100000211527_100000187820 [0,0,0,0,0,1|3,0,0]=4 1221 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])C 1458a_100000182428_200025704644 [0,0,0,0,0,1|3,0,0]=4 1222 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])Cl 1458a_100000183693_200025704644 [0,0,0,0,0,1|3,0,0]=4 1223 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Br 34a_100012002257_100020667443 [0,0,0,0,0,1|2,0,1]=4 1224 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])C 34a_100000210931_100020667443 [0,0,0,0,0,1|2,0,1]=4 1225 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100000211493_100020667443 [0,0,0,0,0,1|2,0,1]=4 1226 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])F 34a_100000759540_100020667443 [0,0,0,0,0,1|2,0,1]=4 1227 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])N 34a_100000211527_100020667443 [0,0,0,0,0,1|2,0,1]=4 1228 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Br 62a_100000747473_100012353751 [0,0,0,0,0,1|3,0,0]=4 1229 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Br 62a_100012353751_100000747473 [0,0,0,0,0,1|3,0,0]=4 1230 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000210833_100000747473 [0,0,0,0,0,1|3,0,0]=4 1231 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000747473_100000210833 [0,0,0,0,0,1|3,0,0]=4 1232 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Cl 62a_100000747473_100012356289 [0,0,0,0,0,1|3,0,0]=4 1233 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Cl 62a_100012356289_100000747473 [0,0,0,0,0,1|3,0,0]=4 1234 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)F 62a_100000736223_100000747473 [0,0,0,0,0,1|3,0,0]=4 1235 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)F 62a_100000747473_100000736223 [0,0,0,0,0,1|3,0,0]=4 1236 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)N 62a_100000747473_100011356834 [0,0,0,0,0,1|3,0,0]=4 1237 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)N 62a_100011356834_100000747473 [0,0,0,0,0,1|3,0,0]=4 1238 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000765521 [0,0,0,0,0,1|2,0,0]=3 1239 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000765521_100000747473 [0,0,0,0,0,1|2,0,0]=3 1240 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100012353751_100020667443 [0,0,0,0,0,1|2,0,1]=4 1241 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100012353751 [0,0,0,0,0,1|2,0,1]=4 1242 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100000210833_100020667443 [0,0,0,0,0,1|2,0,1]=4 1243 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100020667443_100000210833 [0,0,0,0,0,1|2,0,1]=4 1244 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100012356289_100020667443 [0,0,0,0,0,1|2,0,1]=4 1245 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100012356289 [0,0,0,0,0,1|2,0,1]=4 1246 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100000736223_100020667443 [0,0,0,0,0,1|2,0,1]=4 1247 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000736223 [0,0,0,0,0,1|2,0,1]=4 1248 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100011356834_100020667443 [0,0,0,0,0,1|2,0,1]=4 1249 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100011356834 [0,0,0,0,0,1|2,0,1]=4 1250 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000765521_100020667443 [0,0,0,0,0,1|1,0,1]=3 1251 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000765521 [0,0,0,0,0,1|1,0,1]=3 1252 B13R1.893 Cc1ccc(c(c1)SCC(C)O)O 62a_100000765521_100011218427 [0,0,0,0,0,1|2,0,1]=4 1253 B13R1.893 Cc1ccc(c(c1)SCC(C)O)O 62a_100011218427_100000765521 [0,0,0,0,0,1|2,0,1]=4 1254 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)O 62a_100000765521_100009817552 [0,0,0,0,0,1|2,0,1]=4 1255 B13R1.893 Cc1ccc(c(c1)SC[C@@H](C)O)O 62a_100009817552_100000765521 [0,0,0,0,0,1|2,0,1]=4 1256 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100000765521_100000761209 [0,0,0,0,0,1|2,0,1]=4 1257 B13R1.893 Cc1ccc(c(n1)SCC(=O)N)O 62a_100000702858_100000747473 [0,0,0,0,0,1|3,0,0]=4 1258 B13R1.893 Cc1ccc(c(n1)SCC(=O)N)O 62a_100000747473_100000702858 [0,0,0,0,0,1|3,0,0]=4 1259 B13R1.893 Cc1ccc(c(n1)SCC(=O)[O-])O 62a_100000702858_100020667443 [0,0,0,0,0,1|2,0,1]=4 1260 B13R1.893 Cc1ccc(c(n1)SCC(=O)[O-])O 62a_100020667443_100000702858 [0,0,0,0,0,1|2,0,1]=4 1261 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [0,0,0,0,0,1|3,0,0]=4 1262 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 34a_100000741167_100000187820 [0,0,0,0,0,1|3,0,0]=4 1263 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 7a_100000741167_100000187820 [0,0,0,0,0,1|3,0,0]=4 1264 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 34a_100000211374_100000187820 [0,0,0,0,0,1|3,0,0]=4 1265 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 7a_100000211374_100000187820 [0,0,0,0,0,1|3,0,0]=4 1266 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 34a_100000211107_100000187820 [0,0,0,0,0,1|3,0,0]=4 1267 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 7a_100000211107_100000187820 [0,0,0,0,0,1|3,0,0]=4 1268 B13R1.893 Cc1ccc(cc1NCC(=O)N)I 7a_100000761890_100000187820 [0,0,0,0,0,1|3,0,0]=4 1269 B13R1.893 Cc1ccc(cc1NCC(=O)N)O 34a_100011216113_100000187820 [0,0,0,0,0,1|2,0,0]=3 1270 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Br 34a_100000741167_100020667443 [0,0,0,0,0,1|2,0,1]=4 1271 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Cl 34a_100000211374_100020667443 [0,0,0,0,0,1|2,0,1]=4 1272 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])F 34a_100000211107_100020667443 [0,0,0,0,0,1|2,0,1]=4 1273 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])O 34a_100011216113_100020667443 [0,0,0,0,0,1|1,0,1]=3 1274 B13R1.893 Cc1ccc(cc1NCC(C)O)O 34a_100011216113_100011218427 [0,0,0,0,0,1|2,0,1]=4 1275 B13R1.893 Cc1ccc(cc1NC[C@@H](C)O)O 34a_100011216113_100009817552 [0,0,0,0,0,1|2,0,1]=4 1276 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])O 34a_100011216113_100000761209 [0,0,0,0,0,1|2,0,1]=4 1277 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 34a_100000685420_100000187820 [0,0,0,0,0,1|3,0,0]=4 1278 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 7a_100000685420_100000187820 [0,0,0,0,0,1|3,0,0]=4 1279 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 34a_100000756515_100000187820 [0,0,0,0,0,1|3,0,0]=4 1280 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 7a_100000756515_100000187820 [0,0,0,0,0,1|3,0,0]=4 1281 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 34a_100000690566_100000187820 [0,0,0,0,0,1|3,0,0]=4 1282 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 7a_100000690566_100000187820 [0,0,0,0,0,1|3,0,0]=4 1283 B13R1.893 Cc1ccc(cc1OCC(=O)N)I 7a_100000766334_100000187820 [0,0,0,0,0,1|3,0,0]=4 1284 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 34a_100000759471_100000187820 [0,0,0,0,0,1|3,0,0]=4 1285 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 7a_100000759471_100000187820 [0,0,0,0,0,1|3,0,0]=4 1286 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Br 34a_100000685420_100020667443 [0,0,0,0,0,1|2,0,1]=4 1287 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Cl 34a_100000756515_100020667443 [0,0,0,0,0,1|2,0,1]=4 1288 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])F 34a_100000690566_100020667443 [0,0,0,0,0,1|2,0,1]=4 1289 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])N 34a_100000759471_100020667443 [0,0,0,0,0,1|2,0,1]=4 1290 B13R1.893 Cc1ccc(cc1SCC(=O)N)Br 62a_100000747473_100011344865 [0,0,0,0,0,1|3,0,0]=4 1291 B13R1.893 Cc1ccc(cc1SCC(=O)N)Br 62a_100011344865_100000747473 [0,0,0,0,0,1|3,0,0]=4 1292 B13R1.893 Cc1ccc(cc1SCC(=O)N)Cl 62a_100000747473_100011263213 [0,0,0,0,0,1|3,0,0]=4 1293 B13R1.893 Cc1ccc(cc1SCC(=O)N)Cl 62a_100011263213_100000747473 [0,0,0,0,0,1|3,0,0]=4 1294 B13R1.893 Cc1ccc(cc1SCC(=O)N)F 62a_100000747473_100011218078 [0,0,0,0,0,1|3,0,0]=4 1295 B13R1.893 Cc1ccc(cc1SCC(=O)N)F 62a_100011218078_100000747473 [0,0,0,0,0,1|3,0,0]=4 1296 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000736455_100000747473 [0,0,0,0,0,1|3,0,0]=4 1297 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000747473_100000736455 [0,0,0,0,0,1|3,0,0]=4 1298 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100000747473_100011380479 [0,0,0,0,0,1|2,0,0]=3 1299 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100011380479_100000747473 [0,0,0,0,0,1|2,0,0]=3 1300 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Br 62a_100011344865_100020667443 [0,0,0,0,0,1|2,0,1]=4 1301 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Br 62a_100020667443_100011344865 [0,0,0,0,0,1|2,0,1]=4 1302 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Cl 62a_100011263213_100020667443 [0,0,0,0,0,1|2,0,1]=4 1303 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Cl 62a_100020667443_100011263213 [0,0,0,0,0,1|2,0,1]=4 1304 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])F 62a_100011218078_100020667443 [0,0,0,0,0,1|2,0,1]=4 1305 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])F 62a_100020667443_100011218078 [0,0,0,0,0,1|2,0,1]=4 1306 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100000736455_100020667443 [0,0,0,0,0,1|2,0,1]=4 1307 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100020667443_100000736455 [0,0,0,0,0,1|2,0,1]=4 1308 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100011380479_100020667443 [0,0,0,0,0,1|1,0,1]=3 1309 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100011380479 [0,0,0,0,0,1|1,0,1]=3 1310 B13R1.893 Cc1ccc(cc1SCC(C)O)O 62a_100011218427_100011380479 [0,0,0,0,0,1|2,0,1]=4 1311 B13R1.893 Cc1ccc(cc1SCC(C)O)O 62a_100011380479_100011218427 [0,0,0,0,0,1|2,0,1]=4 1312 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)O 62a_100009817552_100011380479 [0,0,0,0,0,1|2,0,1]=4 1313 B13R1.893 Cc1ccc(cc1SC[C@@H](C)O)O 62a_100011380479_100009817552 [0,0,0,0,0,1|2,0,1]=4 1314 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])O 62a_100011380479_100000761209 [0,0,0,0,0,1|2,0,1]=4 1315 B13R1.893 Cc1cnc(c(c1)SCC(=O)N)O 62a_100000719714_100000747473 [0,0,0,0,0,1|3,0,0]=4 1316 B13R1.893 Cc1cnc(c(c1)SCC(=O)N)O 62a_100000747473_100000719714 [0,0,0,0,0,1|3,0,0]=4 1317 B13R1.893 Cc1cnc(c(c1)SCC(=O)[O-])O 62a_100000719714_100020667443 [0,0,0,0,0,1|2,0,1]=4 1318 B13R1.893 Cc1cnc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000719714 [0,0,0,0,0,1|2,0,1]=4 1319 B13R1.893 Cc1cnc(cc1SCC(=O)N)O 62a_100000747473_100009831917 [0,0,0,0,0,1|3,0,0]=4 1320 B13R1.893 Cc1cnc(cc1SCC(=O)N)O 62a_100009831917_100000747473 [0,0,0,0,0,1|3,0,0]=4 1321 B13R1.893 Cc1cnc(cc1SCC(=O)[O-])O 62a_100009831917_100020667443 [0,0,0,0,0,1|2,0,1]=4 1322 B13R1.893 Cc1cnc(cc1SCC(=O)[O-])O 62a_100020667443_100009831917 [0,0,0,0,0,1|2,0,1]=4 1323 B13R1.893 Cc1ncc(cc1SCC(=O)N)O 62a_100000747473_100009819603 [0,0,0,0,0,1|3,0,0]=4 1324 B13R1.893 Cc1ncc(cc1SCC(=O)N)O 62a_100009819603_100000747473 [0,0,0,0,0,1|3,0,0]=4 1325 B13R1.893 Cc1ncc(cc1SCC(=O)[O-])O 62a_100009819603_100020667443 [0,0,0,0,0,1|2,0,1]=4 1326 B13R1.893 Cc1ncc(cc1SCC(=O)[O-])O 62a_100020667443_100009819603 [0,0,0,0,0,1|2,0,1]=4 1327 B13R1.893 NC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000187820 [0,0,0,0,0,1|3,0,0]=4 1328 B13R1.893 NC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000187820 [0,0,0,0,0,1|3,0,0]=4 1329 B13R1.893 NC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000187820 [0,0,0,0,0,1|3,0,0]=4 1330 B13R1.893 NC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000187820 [0,0,0,0,0,1|2,0,0]=3 1331 B13R1.893 NC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000187820 [0,0,0,0,0,1|3,0,0]=4 1332 B13R1.893 NC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000187820 [0,0,0,0,0,1|3,0,0]=4 1333 B13R1.893 NC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000187820 [0,0,0,0,0,1|3,0,0]=4 1334 B13R1.893 NC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000187820 [0,0,0,0,0,1|3,0,0]=4 1335 B13R1.893 NC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000187820 [0,0,0,0,0,1|2,0,0]=3 1336 B13R1.893 NC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000187820 [0,0,0,0,0,1|3,0,0]=4 1337 B13R1.893 NC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000187820 [0,0,0,0,0,1|3,0,0]=4 1338 B13R1.893 NC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000187820 [0,0,0,0,0,1|3,0,0]=4 1339 B13R1.893 NC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000187820 [0,0,0,0,0,1|3,0,0]=4 1340 B13R1.893 NC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000187820 [0,0,0,0,0,1|2,0,0]=3 1341 B13R1.893 NC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000187820 [0,0,0,0,0,1|3,0,0]=4 1342 B13R1.893 NC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000187820 [0,0,0,0,0,1|3,0,0]=4 1343 B13R1.893 NC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000187820 [0,0,0,0,0,1|3,0,0]=4 1344 B13R1.893 NC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000187820 [0,0,0,0,0,1|2,0,0]=3 1345 B13R1.893 NC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000187820 [0,0,0,0,0,1|2,0,0]=3 1346 B13R1.893 NC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000187820 [0,0,0,0,0,1|2,0,0]=3 1347 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000187820 [0,0,0,0,0,1|3,0,0]=4 1348 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000187820 [0,0,0,0,0,1|3,0,0]=4 1349 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000187820 [0,0,0,0,0,1|3,0,0]=4 1350 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000187820 [0,0,0,0,0,1|3,0,0]=4 1351 B13R1.893 NC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000187820 [0,0,0,0,0,1|3,0,0]=4 1352 B13R1.893 NC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000187820 [0,0,0,0,0,1|3,0,0]=4 1353 B13R1.893 NC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000187820 [0,0,0,0,0,1|3,0,0]=4 1354 B13R1.893 NC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000187820 [0,0,0,0,0,1|3,0,0]=4 1355 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000187820 [0,0,0,0,0,1|3,0,0]=4 1356 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000187820 [0,0,0,0,0,1|3,0,0]=4 1357 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000187820 [0,0,0,0,0,1|3,0,0]=4 1358 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000187820 [0,0,0,0,0,1|3,0,0]=4 1359 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000187820 [0,0,0,0,0,1|3,0,0]=4 1360 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000187820 [0,0,0,0,0,1|3,0,0]=4 1361 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000187820 [0,0,0,0,0,1|3,0,0]=4 1362 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000187820 [0,0,0,0,0,1|3,0,0]=4 1363 B13R1.893 NC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000187820 [0,0,0,0,0,1|3,0,0]=4 1364 B13R1.893 NC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000187820 [0,0,0,0,0,1|3,0,0]=4 1365 B13R1.893 NC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000187820 [0,0,0,0,0,1|3,0,0]=4 1366 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000187820 [0,0,0,0,0,1|3,0,0]=4 1367 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000187820 [0,0,0,0,0,1|3,0,0]=4 1368 B13R1.893 NC(=O)COc1cc(ccc1F)F 34a_100000752141_100000187820 [0,0,0,0,0,1|3,0,0]=4 1369 B13R1.893 NC(=O)COc1cc(ccc1F)F 7a_100000752141_100000187820 [0,0,0,0,0,1|3,0,0]=4 1370 B13R1.893 NC(=O)COc1cc(ccc1F)I 34a_100009958187_100000187820 [0,0,0,0,0,1|3,0,0]=4 1371 B13R1.893 NC(=O)COc1cc(ccc1F)I 7a_100009958187_100000187820 [0,0,0,0,0,1|3,0,0]=4 1372 B13R1.893 NC(=O)COc1cc(ccc1F)N 34a_100012017398_100000187820 [0,0,0,0,0,1|3,0,0]=4 1373 B13R1.893 NC(=O)COc1cc(ccc1F)N 7a_100012017398_100000187820 [0,0,0,0,0,1|3,0,0]=4 1374 B13R1.893 NC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000187820 [0,0,0,0,0,1|3,0,0]=4 1375 B13R1.893 NC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000187820 [0,0,0,0,0,1|3,0,0]=4 1376 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000187820 [0,0,0,0,0,1|3,0,0]=4 1377 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000187820 [0,0,0,0,0,1|3,0,0]=4 1378 B13R1.893 NC(=O)COc1cc(ccc1I)F 34a_100010084537_100000187820 [0,0,0,0,0,1|3,0,0]=4 1379 B13R1.893 NC(=O)COc1cc(ccc1I)F 7a_100010084537_100000187820 [0,0,0,0,0,1|3,0,0]=4 1380 B13R1.893 NC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000187820 [0,0,0,0,0,1|3,0,0]=4 1381 B13R1.893 NC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000187820 [0,0,0,0,0,1|3,0,0]=4 1382 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000187820 [0,0,0,0,0,1|3,0,0]=4 1383 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000187820 [0,0,0,0,0,1|3,0,0]=4 1384 B13R1.893 NC(=O)COc1cc(ccc1N)F 34a_100000753323_100000187820 [0,0,0,0,0,1|3,0,0]=4 1385 B13R1.893 NC(=O)COc1cc(ccc1N)F 7a_100000753323_100000187820 [0,0,0,0,0,1|3,0,0]=4 1386 B13R1.893 NC(=O)COc1cc(ccc1N)I 34a_100000057187_100000187820 [0,0,0,0,0,1|3,0,0]=4 1387 B13R1.893 NC(=O)COc1cc(ccc1N)I 7a_100000057187_100000187820 [0,0,0,0,0,1|3,0,0]=4 1388 B13R1.893 NC(=O)COc1cc(ccc1N)N 34a_100025717382_100000187820 [0,0,0,0,0,1|3,0,0]=4 1389 B13R1.893 NC(=O)CSc1cc(ccc1Br)Br 62a_100000747473_100011483371 [0,0,0,0,0,1|3,0,0]=4 1390 B13R1.893 NC(=O)CSc1cc(ccc1Br)Br 62a_100011483371_100000747473 [0,0,0,0,0,1|3,0,0]=4 1391 B13R1.893 NC(=O)CSc1cc(ccc1Br)Cl 62a_100000747473_100012339723 [0,0,0,0,0,1|3,0,0]=4 1392 B13R1.893 NC(=O)CSc1cc(ccc1Br)Cl 62a_100012339723_100000747473 [0,0,0,0,0,1|3,0,0]=4 1393 B13R1.893 NC(=O)CSc1cc(ccc1Br)F 62a_100000747473_100011217576 [0,0,0,0,0,1|3,0,0]=4 1394 B13R1.893 NC(=O)CSc1cc(ccc1Br)F 62a_100011217576_100000747473 [0,0,0,0,0,1|3,0,0]=4 1395 B13R1.893 NC(=O)CSc1cc(ccc1Br)N 62a_100000747473_100000750459 [0,0,0,0,0,1|3,0,0]=4 1396 B13R1.893 NC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000747473 [0,0,0,0,0,1|3,0,0]=4 1397 B13R1.893 NC(=O)CSc1cc(ccc1Br)O 62a_100000747473_100012339312 [0,0,0,0,0,1|2,0,0]=3 1398 B13R1.893 NC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000747473 [0,0,0,0,0,1|2,0,0]=3 1399 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Br 62a_100000747473_100011772130 [0,0,0,0,0,1|3,0,0]=4 1400 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Br 62a_100011772130_100000747473 [0,0,0,0,0,1|3,0,0]=4 1401 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000747473 [0,0,0,0,0,1|3,0,0]=4 1402 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Cl 62a_100000747473_100000707729 [0,0,0,0,0,1|3,0,0]=4 1403 B13R1.893 NC(=O)CSc1cc(ccc1Cl)F 62a_100000747473_100011217299 [0,0,0,0,0,1|3,0,0]=4 1404 B13R1.893 NC(=O)CSc1cc(ccc1Cl)F 62a_100011217299_100000747473 [0,0,0,0,0,1|3,0,0]=4 1405 B13R1.893 NC(=O)CSc1cc(ccc1Cl)N 62a_100000747473_100012360549 [0,0,0,0,0,1|3,0,0]=4 1406 B13R1.893 NC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000747473 [0,0,0,0,0,1|3,0,0]=4 1407 B13R1.893 NC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000747473 [0,0,0,0,0,1|2,0,0]=3 1408 B13R1.893 NC(=O)CSc1cc(ccc1Cl)O 62a_100000747473_100000049588 [0,0,0,0,0,1|2,0,0]=3 1409 B13R1.893 NC(=O)CSc1cc(ccc1F)Br 62a_100000747473_100011217312 [0,0,0,0,0,1|3,0,0]=4 1410 B13R1.893 NC(=O)CSc1cc(ccc1F)Br 62a_100011217312_100000747473 [0,0,0,0,0,1|3,0,0]=4 1411 B13R1.893 NC(=O)CSc1cc(ccc1F)Cl 62a_100000747473_100011218116 [0,0,0,0,0,1|3,0,0]=4 1412 B13R1.893 NC(=O)CSc1cc(ccc1F)Cl 62a_100011218116_100000747473 [0,0,0,0,0,1|3,0,0]=4 1413 B13R1.893 NC(=O)CSc1cc(ccc1F)F 62a_100000747473_100011219198 [0,0,0,0,0,1|3,0,0]=4 1414 B13R1.893 NC(=O)CSc1cc(ccc1F)F 62a_100011219198_100000747473 [0,0,0,0,0,1|3,0,0]=4 1415 B13R1.893 NC(=O)CSc1cc(ccc1F)N 62a_100000747473_100000760356 [0,0,0,0,0,1|3,0,0]=4 1416 B13R1.893 NC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000747473 [0,0,0,0,0,1|3,0,0]=4 1417 B13R1.893 NC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000747473 [0,0,0,0,0,1|2,0,0]=3 1418 B13R1.893 NC(=O)CSc1cc(ccc1F)O 62a_100000747473_100000693481 [0,0,0,0,0,1|2,0,0]=3 1419 B13R1.893 NC(=O)CSc1cc(ccc1N)Br 62a_100000187925_100000747473 [0,0,0,0,0,1|3,0,0]=4 1420 B13R1.893 NC(=O)CSc1cc(ccc1N)Br 62a_100000747473_100000187925 [0,0,0,0,0,1|3,0,0]=4 1421 B13R1.893 NC(=O)CSc1cc(ccc1N)Cl 62a_100000747473_100000761889 [0,0,0,0,0,1|3,0,0]=4 1422 B13R1.893 NC(=O)CSc1cc(ccc1N)Cl 62a_100000761889_100000747473 [0,0,0,0,0,1|3,0,0]=4 1423 B13R1.893 NC(=O)CSc1cc(ccc1N)F 62a_100000747473_100000760547 [0,0,0,0,0,1|3,0,0]=4 1424 B13R1.893 NC(=O)CSc1cc(ccc1N)F 62a_100000760547_100000747473 [0,0,0,0,0,1|3,0,0]=4 1425 B13R1.893 NC(=O)CSc1cc(ccc1N)N 62a_100000747473_100011534242 [0,0,0,0,0,1|3,0,0]=4 1426 B13R1.893 NC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000747473 [0,0,0,0,0,1|3,0,0]=4 1427 B13R1.893 NC(=O)CSc1cc(ccc1N)O 62a_100000747473_100012001276 [0,0,0,0,0,1|2,0,0]=3 1428 B13R1.893 NC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000747473 [0,0,0,0,0,1|2,0,0]=3 1429 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100000747473_100012355227 [0,0,0,0,0,1|2,0,0]=3 1430 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747473 [0,0,0,0,0,1|2,0,0]=3 1431 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100000747473_100011356953 [0,0,0,0,0,1|2,0,0]=3 1432 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747473 [0,0,0,0,0,1|2,0,0]=3 1433 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747473 [0,0,0,0,0,1|2,0,0]=3 1434 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000747473_100000211999 [0,0,0,0,0,1|2,0,0]=3 1435 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100000747473_100011534360 [0,0,0,0,0,1|2,0,0]=3 1436 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747473 [0,0,0,0,0,1|2,0,0]=3 1437 B13R1.893 NC(=O)CSc1cc(ccc1O)O 62a_100000747473_100009813629 [0,0,0,0,0,1|1,0,0]=2 1438 B13R1.893 NC(=O)CSc1cc(cnc1F)O 62a_100000747473_100009817267 [0,0,0,0,0,1|3,0,0]=4 1439 B13R1.893 NC(=O)CSc1cc(cnc1F)O 62a_100009817267_100000747473 [0,0,0,0,0,1|3,0,0]=4 1440 B13R1.893 NC(=O)CSc1cc(cnc1O)Br 62a_100000747473_100010197142 [0,0,0,0,0,1|3,0,0]=4 1441 B13R1.893 NC(=O)CSc1cc(cnc1O)Br 62a_100010197142_100000747473 [0,0,0,0,0,1|3,0,0]=4 1442 B13R1.893 NC(=O)CSc1cc(cnc1O)Cl 62a_100000747473_100010188700 [0,0,0,0,0,1|3,0,0]=4 1443 B13R1.893 NC(=O)CSc1cc(cnc1O)Cl 62a_100010188700_100000747473 [0,0,0,0,0,1|3,0,0]=4 1444 B13R1.893 NC(=O)CSc1cc(ncc1O)Cl 62a_100000698892_100000747473 [0,0,0,0,0,1|3,0,0]=4 1445 B13R1.893 NC(=O)CSc1cc(ncc1O)Cl 62a_100000747473_100000698892 [0,0,0,0,0,1|3,0,0]=4 1446 B13R1.893 NC(=O)CSc1cc(nnc1O)O 62a_100000747473_100000759565 [0,0,0,0,0,1|3,0,0]=4 1447 B13R1.893 NC(=O)CSc1nc(ccc1O)Br 62a_100000747473_100010253912 [0,0,0,0,0,1|3,0,0]=4 1448 B13R1.893 NC(=O)CSc1nc(ccc1O)Br 62a_100010253912_100000747473 [0,0,0,0,0,1|3,0,0]=4 1449 B13R1.893 NC(=O)CSc1nc(ccc1O)Cl 62a_100000747473_100000696390 [0,0,0,0,0,1|3,0,0]=4 1450 B13R1.893 NC(=O)CSc1nc(ccc1O)F 62a_100000747473_100010382442 [0,0,0,0,0,1|3,0,0]=4 1451 B13R1.893 NC(=O)CSc1nc(ccc1O)F 62a_100010382442_100000747473 [0,0,0,0,0,1|3,0,0]=4 1452 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100011934209_100020667443 [0,0,0,0,0,1|2,0,1]=4 1453 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])F 34a_100012017398_100020667443 [0,0,0,0,0,1|2,0,1]=4 1454 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])N 34a_100025717382_100020667443 [0,0,0,0,0,1|2,0,1]=4 1455 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Br 62a_100000750459_100020667443 [0,0,0,0,0,1|2,0,1]=4 1456 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100000750459 [0,0,0,0,0,1|2,0,1]=4 1457 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100012360549_100020667443 [0,0,0,0,0,1|2,0,1]=4 1458 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100012360549 [0,0,0,0,0,1|2,0,1]=4 1459 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])F 62a_100000760356_100020667443 [0,0,0,0,0,1|2,0,1]=4 1460 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000760356 [0,0,0,0,0,1|2,0,1]=4 1461 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])N 62a_100011534242_100020667443 [0,0,0,0,0,1|2,0,1]=4 1462 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100011534242 [0,0,0,0,0,1|2,0,1]=4 1463 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100011534360_100020667443 [0,0,0,0,0,1|1,0,1]=3 1464 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100011534360 [0,0,0,0,0,1|1,0,1]=3 1465 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100011534360_100000761209 [0,0,0,0,0,1|2,0,1]=4 1466 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Br 34a_100000739049_100020667443 [0,0,0,0,0,1|2,0,1]=4 1467 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Cl 34a_100000185728_100020667443 [0,0,0,0,0,1|2,0,1]=4 1468 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])F 34a_100000753323_100020667443 [0,0,0,0,0,1|2,0,1]=4 1469 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])I 34a_100000057187_100020667443 [0,0,0,0,0,1|2,0,1]=4 1470 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Br 62a_100000187925_100020667443 [0,0,0,0,0,1|2,0,1]=4 1471 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Br 62a_100020667443_100000187925 [0,0,0,0,0,1|2,0,1]=4 1472 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Cl 62a_100000761889_100020667443 [0,0,0,0,0,1|2,0,1]=4 1473 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Cl 62a_100020667443_100000761889 [0,0,0,0,0,1|2,0,1]=4 1474 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])F 62a_100000760547_100020667443 [0,0,0,0,0,1|2,0,1]=4 1475 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])F 62a_100020667443_100000760547 [0,0,0,0,0,1|2,0,1]=4 1476 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])O 62a_100012001276_100020667443 [0,0,0,0,0,1|1,0,1]=3 1477 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100012001276 [0,0,0,0,0,1|1,0,1]=3 1478 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])O 62a_100012001276_100000761209 [0,0,0,0,0,1|2,0,1]=4 1479 B13R1.893 O=C([O-])CNc1cc(ccc1Br)Br 34a_100000737762_100020667443 [0,0,0,0,0,1|2,0,1]=4 1480 B13R1.893 O=C([O-])CNc1cc(ccc1Br)Cl 34a_100000687073_100020667443 [0,0,0,0,0,1|2,0,1]=4 1481 B13R1.893 O=C([O-])CNc1cc(ccc1Br)F 34a_100000687223_100020667443 [0,0,0,0,0,1|2,0,1]=4 1482 B13R1.893 O=C([O-])CNc1cc(ccc1Br)O 34a_100011999798_100020667443 [0,0,0,0,0,1|1,0,1]=3 1483 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)Br 34a_100000750497_100020667443 [0,0,0,0,0,1|2,0,1]=4 1484 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)Cl 34a_100000184485_100020667443 [0,0,0,0,0,1|2,0,1]=4 1485 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)F 34a_100000751338_100020667443 [0,0,0,0,0,1|2,0,1]=4 1486 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)I 34a_200000761891_100020667443 [0,0,0,0,0,1|2,0,1]=4 1487 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)O 34a_100011934297_100020667443 [0,0,0,0,0,1|1,0,1]=3 1488 B13R1.893 O=C([O-])CNc1cc(ccc1F)Br 34a_100000740924_100020667443 [0,0,0,0,0,1|2,0,1]=4 1489 B13R1.893 O=C([O-])CNc1cc(ccc1F)Cl 34a_100000212115_100020667443 [0,0,0,0,0,1|2,0,1]=4 1490 B13R1.893 O=C([O-])CNc1cc(ccc1F)F 34a_100000210742_100020667443 [0,0,0,0,0,1|2,0,1]=4 1491 B13R1.893 O=C([O-])CNc1cc(ccc1F)I 34a_100011464823_100020667443 [0,0,0,0,0,1|2,0,1]=4 1492 B13R1.893 O=C([O-])CNc1cc(ccc1F)O 34a_100012017239_100020667443 [0,0,0,0,0,1|1,0,1]=3 1493 B13R1.893 O=C([O-])CNc1cc(ccc1I)Br 34a_100000743836_100020667443 [0,0,0,0,0,1|2,0,1]=4 1494 B13R1.893 O=C([O-])CNc1cc(ccc1I)Cl 34a_100000761886_100020667443 [0,0,0,0,0,1|2,0,1]=4 1495 B13R1.893 O=C([O-])CNc1cc(ccc1I)F 34a_100011218093_100020667443 [0,0,0,0,0,1|2,0,1]=4 1496 B13R1.893 O=C([O-])CNc1cc(ccc1O)Br 34a_100000752626_100020667443 [0,0,0,0,0,1|1,0,1]=3 1497 B13R1.893 O=C([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100020667443 [0,0,0,0,0,1|1,0,1]=3 1498 B13R1.893 O=C([O-])CNc1cc(ccc1O)F 34a_100000759472_100020667443 [0,0,0,0,0,1|1,0,1]=3 1499 B13R1.893 O=C([O-])COc1cc(ccc1Br)Br 34a_100011220040_100020667443 [0,0,0,0,0,1|2,0,1]=4 1500 B13R1.893 O=C([O-])COc1cc(ccc1Br)Cl 34a_100012339455_100020667443 [0,0,0,0,0,1|2,0,1]=4 1501 B13R1.893 O=C([O-])COc1cc(ccc1Br)F 34a_100000690578_100020667443 [0,0,0,0,0,1|2,0,1]=4 1502 B13R1.893 O=C([O-])COc1cc(ccc1Br)I 34a_100012356990_100020667443 [0,0,0,0,0,1|2,0,1]=4 1503 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Br 34a_100000738945_100020667443 [0,0,0,0,0,1|2,0,1]=4 1504 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Cl 34a_100000211422_100020667443 [0,0,0,0,0,1|2,0,1]=4 1505 B13R1.893 O=C([O-])COc1cc(ccc1Cl)F 34a_100000692107_100020667443 [0,0,0,0,0,1|2,0,1]=4 1506 B13R1.893 O=C([O-])COc1cc(ccc1Cl)I 34a_100011356854_100020667443 [0,0,0,0,0,1|2,0,1]=4 1507 B13R1.893 O=C([O-])COc1cc(ccc1F)Br 34a_100000686035_100020667443 [0,0,0,0,0,1|2,0,1]=4 1508 B13R1.893 O=C([O-])COc1cc(ccc1F)Cl 34a_100000757397_100020667443 [0,0,0,0,0,1|2,0,1]=4 1509 B13R1.893 O=C([O-])COc1cc(ccc1F)F 34a_100000752141_100020667443 [0,0,0,0,0,1|2,0,1]=4 1510 B13R1.893 O=C([O-])COc1cc(ccc1F)I 34a_100009958187_100020667443 [0,0,0,0,0,1|2,0,1]=4 1511 B13R1.893 O=C([O-])COc1cc(ccc1I)Br 34a_100012344904_100020667443 [0,0,0,0,0,1|2,0,1]=4 1512 B13R1.893 O=C([O-])COc1cc(ccc1I)Cl 34a_100000050036_100020667443 [0,0,0,0,0,1|2,0,1]=4 1513 B13R1.893 O=C([O-])COc1cc(ccc1I)F 34a_100010084537_100020667443 [0,0,0,0,0,1|2,0,1]=4 1514 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Br 62a_100011483371_100020667443 [0,0,0,0,0,1|2,0,1]=4 1515 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Br 62a_100020667443_100011483371 [0,0,0,0,0,1|2,0,1]=4 1516 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Cl 62a_100012339723_100020667443 [0,0,0,0,0,1|2,0,1]=4 1517 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Cl 62a_100020667443_100012339723 [0,0,0,0,0,1|2,0,1]=4 1518 B13R1.893 O=C([O-])CSc1cc(ccc1Br)F 62a_100011217576_100020667443 [0,0,0,0,0,1|2,0,1]=4 1519 B13R1.893 O=C([O-])CSc1cc(ccc1Br)F 62a_100020667443_100011217576 [0,0,0,0,0,1|2,0,1]=4 1520 B13R1.893 O=C([O-])CSc1cc(ccc1Br)O 62a_100012339312_100020667443 [0,0,0,0,0,1|1,0,1]=3 1521 B13R1.893 O=C([O-])CSc1cc(ccc1Br)O 62a_100020667443_100012339312 [0,0,0,0,0,1|1,0,1]=3 1522 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Br 62a_100011772130_100020667443 [0,0,0,0,0,1|2,0,1]=4 1523 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Br 62a_100020667443_100011772130 [0,0,0,0,0,1|2,0,1]=4 1524 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Cl 62a_100000707729_100020667443 [0,0,0,0,0,1|2,0,1]=4 1525 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Cl 62a_100020667443_100000707729 [0,0,0,0,0,1|2,0,1]=4 1526 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)F 62a_100011217299_100020667443 [0,0,0,0,0,1|2,0,1]=4 1527 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)F 62a_100020667443_100011217299 [0,0,0,0,0,1|2,0,1]=4 1528 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)O 62a_100000049588_100020667443 [0,0,0,0,0,1|1,0,1]=3 1529 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)O 62a_100020667443_100000049588 [0,0,0,0,0,1|1,0,1]=3 1530 B13R1.893 O=C([O-])CSc1cc(ccc1F)Br 62a_100011217312_100020667443 [0,0,0,0,0,1|2,0,1]=4 1531 B13R1.893 O=C([O-])CSc1cc(ccc1F)Br 62a_100020667443_100011217312 [0,0,0,0,0,1|2,0,1]=4 1532 B13R1.893 O=C([O-])CSc1cc(ccc1F)Cl 62a_100011218116_100020667443 [0,0,0,0,0,1|2,0,1]=4 1533 B13R1.893 O=C([O-])CSc1cc(ccc1F)Cl 62a_100020667443_100011218116 [0,0,0,0,0,1|2,0,1]=4 1534 B13R1.893 O=C([O-])CSc1cc(ccc1F)F 62a_100011219198_100020667443 [0,0,0,0,0,1|2,0,1]=4 1535 B13R1.893 O=C([O-])CSc1cc(ccc1F)F 62a_100020667443_100011219198 [0,0,0,0,0,1|2,0,1]=4 1536 B13R1.893 O=C([O-])CSc1cc(ccc1F)O 62a_100000693481_100020667443 [0,0,0,0,0,1|1,0,1]=3 1537 B13R1.893 O=C([O-])CSc1cc(ccc1F)O 62a_100020667443_100000693481 [0,0,0,0,0,1|1,0,1]=3 1538 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100012355227_100020667443 [0,0,0,0,0,1|1,0,1]=3 1539 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100020667443_100012355227 [0,0,0,0,0,1|1,0,1]=3 1540 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100020667443 [0,0,0,0,0,1|1,0,1]=3 1541 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100020667443_100011356953 [0,0,0,0,0,1|1,0,1]=3 1542 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100000211999_100020667443 [0,0,0,0,0,1|1,0,1]=3 1543 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100020667443_100000211999 [0,0,0,0,0,1|1,0,1]=3 1544 B13R1.893 O=C([O-])CSc1cc(ccc1O)O 62a_100020667443_100009813629 [0,0,0,0,0,1|0,0,1]=2 1545 B13R1.893 O=C([O-])CSc1cc(cnc1F)O 62a_100009817267_100020667443 [0,0,0,0,0,1|2,0,1]=4 1546 B13R1.893 O=C([O-])CSc1cc(cnc1F)O 62a_100020667443_100009817267 [0,0,0,0,0,1|2,0,1]=4 1547 B13R1.893 O=C([O-])CSc1cc(cnc1O)Br 62a_100010197142_100020667443 [0,0,0,0,0,1|2,0,1]=4 1548 B13R1.893 O=C([O-])CSc1cc(cnc1O)Br 62a_100020667443_100010197142 [0,0,0,0,0,1|2,0,1]=4 1549 B13R1.893 O=C([O-])CSc1cc(cnc1O)Cl 62a_100010188700_100020667443 [0,0,0,0,0,1|2,0,1]=4 1550 B13R1.893 O=C([O-])CSc1cc(cnc1O)Cl 62a_100020667443_100010188700 [0,0,0,0,0,1|2,0,1]=4 1551 B13R1.893 O=C([O-])CSc1cc(ncc1O)Cl 62a_100000698892_100020667443 [0,0,0,0,0,1|2,0,1]=4 1552 B13R1.893 O=C([O-])CSc1cc(ncc1O)Cl 62a_100020667443_100000698892 [0,0,0,0,0,1|2,0,1]=4 1553 B13R1.893 O=C([O-])CSc1cc(nnc1O)O 62a_100020667443_100000759565 [0,0,0,0,0,1|2,0,1]=4 1554 B13R1.893 O=C([O-])CSc1nc(ccc1O)Br 62a_100010253912_100020667443 [0,0,0,0,0,1|2,0,1]=4 1555 B13R1.893 O=C([O-])CSc1nc(ccc1O)Br 62a_100020667443_100010253912 [0,0,0,0,0,1|2,0,1]=4 1556 B13R1.893 O=C([O-])CSc1nc(ccc1O)Cl 62a_100020667443_100000696390 [0,0,0,0,0,1|2,0,1]=4 1557 B13R1.893 O=C([O-])CSc1nc(ccc1O)F 62a_100010382442_100020667443 [0,0,0,0,0,1|2,0,1]=4 1558 B13R1.893 O=C([O-])CSc1nc(ccc1O)F 62a_100020667443_100010382442 [0,0,0,0,0,1|2,0,1]=4 1559 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)O 34a_100011999798_100000761209 [0,0,0,0,0,1|2,0,1]=4 1560 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)O 34a_100011934297_100000761209 [0,0,0,0,0,1|2,0,1]=4 1561 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)O 34a_100012017239_100000761209 [0,0,0,0,0,1|2,0,1]=4 1562 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Br 34a_100000752626_100000761209 [0,0,0,0,0,1|2,0,1]=4 1563 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100000761209 [0,0,0,0,0,1|2,0,1]=4 1564 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)F 34a_100000759472_100000761209 [0,0,0,0,0,1|2,0,1]=4 1565 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)O 62a_100012339312_100000761209 [0,0,0,0,0,1|2,0,1]=4 1566 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)O 62a_100000049588_100000761209 [0,0,0,0,0,1|2,0,1]=4 1567 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)O 62a_100000693481_100000761209 [0,0,0,0,0,1|2,0,1]=4 1568 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)Br 62a_100012355227_100000761209 [0,0,0,0,0,1|2,0,1]=4 1569 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100000761209 [0,0,0,0,0,1|2,0,1]=4 1570 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)F 62a_100000211999_100000761209 [0,0,0,0,0,1|2,0,1]=4 1571 B13R1.893 Oc1ccc(c(c1)SCC(F)F)O 62a_100011934356_100009813629 [0,0,0,0,0,1|2,0,1]=4 1572 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200025704644 [0,0,0,0,0,1|3,0,0]=4 1573 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200025704644 [0,0,0,0,0,1|3,0,0]=4 1574 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200025704644 [0,0,0,0,0,1|3,0,0]=4 1575 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200025704644 [0,0,0,0,0,1|3,0,0]=4 1576 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200025704644 [0,0,0,0,0,1|3,0,0]=4 1577 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200025704644 [0,0,0,0,0,1|3,0,0]=4 1578 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)F 1458a_100000744313_200025704644 [0,0,0,0,0,1|3,0,0]=4 1579 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200025704644 [0,0,0,0,0,1|3,0,0]=4 1580 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200025704644 [0,0,0,0,0,1|3,0,0]=4 1581 B13R1.893 [13CH3]C(=O)COc1cc(ccc1F)F 1458a_100000752474_200025704644 [0,0,0,0,0,1|3,0,0]=4 1582 B13R1.893 [13CH3]C(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200025704644 [0,0,0,0,0,1|3,0,0]=4 1583 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [2,0,0,0,0,0|1,0,0]=3 1584 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [2,0,0,0,0,0|1,0,1]=4 1585 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [2,0,0,0,0,0|2,0,0]=4 1586 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [2,0,0,0,0,0|2,0,0]=4 1587 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [2,0,0,0,0,0|2,0,0]=4 1588 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [2,0,0,0,0,0|2,0,0]=4 1589 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [2,0,0,0,0,0|1,0,1]=4 1590 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [2,0,0,0,0,0|1,0,1]=4 1591 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [2,0,0,0,0,0|2,0,0]=4 1592 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [2,0,0,0,0,0|0,0,1]=3 1593 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [2,0,0,0,0,0|2,0,0]=4 1594 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1595 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [2,0,0,0,0,0|1,0,0]=3 1596 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [2,0,0,0,0,0|2,0,0]=4 1597 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [2,0,0,0,0,0|2,0,0]=4 1598 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [2,0,0,0,0,0|2,0,0]=4 1599 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [2,0,0,0,0,0|2,0,0]=4 1600 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [2,0,0,0,0,0|2,0,0]=4 1601 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 1602 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [2,0,0,0,0,0|2,0,0]=4 1603 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [2,0,0,0,0,0|2,0,0]=4 1604 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [2,0,0,0,0,0|2,0,0]=4 1605 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1606 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [2,0,0,0,0,0|2,0,0]=4 1607 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [2,0,0,0,0,0|2,0,0]=4 1608 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [2,0,0,0,0,0|1,0,0]=3 1609 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [2,0,0,0,0,0|1,0,1]=4 1610 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [2,0,0,0,0,0|1,0,1]=4 1611 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [2,0,0,0,0,0|2,0,0]=4 1612 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1613 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [2,0,0,0,0,0|2,0,0]=4 1614 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [2,0,0,0,0,0|2,0,0]=4 1615 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [2,0,0,0,0,0|2,0,0]=4 1616 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [2,0,0,0,0,0|2,0,0]=4 1617 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [2,0,0,0,0,0|2,0,0]=4 1618 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [2,0,0,0,0,0|2,0,0]=4 1619 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [2,0,0,0,0,0|2,0,0]=4 1620 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [2,0,0,0,0,0|2,0,0]=4 1621 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [2,0,0,0,0,0|2,0,0]=4 1622 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [2,0,0,0,0,0|2,0,0]=4 1623 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [2,0,0,0,0,0|1,0,1]=4 1624 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [2,0,0,0,0,0|1,0,1]=4 1625 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [2,0,0,0,0,0|2,0,0]=4 1626 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [2,0,0,0,0,0|0,0,0]=2 1627 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [2,0,0,0,0,0|0,0,1]=3 1628 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [2,0,0,0,0,0|1,0,1]=4 1629 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1630 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [2,0,0,0,0,0|2,0,0]=4 1631 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [2,0,0,0,0,0|2,0,0]=4 1632 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [2,0,0,0,0,0|2,0,0]=4 1633 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [2,0,0,0,0,0|1,0,1]=4 1634 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [2,0,0,0,0,0|1,0,1]=4 1635 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [2,0,0,0,0,0|1,0,1]=4 1636 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [2,0,0,0,0,0|1,0,1]=4 1637 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [2,0,0,0,0,0|1,0,1]=4 1638 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [2,0,0,0,0,0|1,0,1]=4 1639 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [2,0,0,0,0,0|1,0,1]=4 1640 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [2,0,0,0,0,0|1,0,1]=4 1641 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [2,0,0,0,0,0|1,0,1]=4 1642 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [2,0,0,0,0,0|1,0,1]=4 1643 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [2,0,0,0,0,0|0,0,1]=3 1644 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [2,0,0,0,0,0|1,0,1]=4 1645 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [2,0,0,0,0,0|1,0,1]=4 1646 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [2,0,0,0,0,0|1,0,1]=4 1647 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [2,0,0,0,0,0|1,0,1]=4 1648 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [2,0,0,0,0,0|1,0,1]=4 1649 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [2,0,0,0,0,0|0,0,1]=3 1650 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [2,0,0,0,0,0|1,0,1]=4 1651 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [2,0,0,0,0,0|1,0,1]=4 1652 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [2,0,0,0,0,0|1,0,1]=4 1653 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [2,0,0,0,0,0|2,0,0]=4 1654 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [2,0,0,0,0,0|1,0,0]=3 1655 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [2,0,0,0,0,0|1,0,0]=3 1656 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [2,0,0,0,0,0|2,0,0]=4 1657 B10R1.30 Cc1ccc(c(n1)CO)O 271570a_203496583355_100010074375 [2,0,0,0,0,0|2,0,0]=4 1658 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [2,0,0,0,0,0|1,0,0]=3 1659 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [2,0,0,0,0,0|1,0,0]=3 1660 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [2,0,0,0,0,0|2,0,0]=4 1661 B10R1.30 Cc1cnc(c(c1)CO)O 271570a_203496583355_100000118064 [2,0,0,0,0,0|2,0,0]=4 1662 B10R1.30 Cc1ncc(cc1CO)O 271570a_203496583355_100010894652 [2,0,0,0,0,0|2,0,0]=4 1663 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [2,0,0,0,0,0|1,0,1]=4 1664 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [2,0,0,0,0,0|1,0,1]=4 1665 B10R1.30 NCc1cc(ccc1F)O 271570a_203496583355_100009815772 [2,0,0,0,0,0|2,0,0]=4 1666 B10R1.30 NCc1cc(ccc1N)O 271570a_203496583355_100012349119 [2,0,0,0,0,0|2,0,0]=4 1667 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [2,0,0,0,0,0|2,0,0]=4 1668 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [2,0,0,0,0,0|1,0,0]=3 1669 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [2,0,0,0,0,0|1,0,0]=3 1670 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [2,0,0,0,0,0|1,0,0]=3 1671 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [2,0,0,0,0,0|1,0,0]=3 1672 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [2,0,0,0,0,0|2,0,0]=4 1673 B10R1.30 Nc1ncc(cc1CO)O 271570a_203496583355_100011934449 [2,0,0,0,0,0|2,0,0]=4 1674 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [2,0,0,0,0,0|1,0,0]=3 1675 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [2,0,0,0,0,0|1,0,0]=3 1676 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [2,0,0,0,0,0|1,0,0]=3 1677 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [2,0,0,0,0,0|1,0,0]=3 1678 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [2,0,0,0,0,0|1,0,0]=3 1679 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [2,0,0,0,0,0|1,0,0]=3 1680 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [2,0,0,0,0,0|0,0,0]=2 1681 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [2,0,0,0,0,0|0,0,0]=2 1682 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [2,0,0,0,0,0|2,0,0]=4 1683 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [2,0,0,0,0,0|2,0,0]=4 1684 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [2,0,0,0,0,0|2,0,0]=4 1685 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [2,0,0,0,0,0|2,0,0]=4 1686 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [2,0,0,0,0,0|1,0,0]=3 1687 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [2,0,0,0,0,0|1,0,0]=3 1688 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [2,0,0,0,0,0|1,0,0]=3 1689 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [2,0,0,0,0,0|1,0,0]=3 1690 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [2,0,0,0,0,0|1,0,0]=3 1691 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [2,0,0,0,0,0|0,0,0]=2 1692 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [2,0,0,0,0,0|0,0,0]=2 1693 B10R1.30 OCc1cc(cnc1F)O 271570a_203496583355_100010202234 [2,0,0,0,0,0|2,0,0]=4 1694 B10R1.30 OCc1cc(cnc1O)F 271570a_203496583355_100000079972 [2,0,0,0,0,0|2,0,0]=4 1695 B10R1.30 OCc1cc(cnc1O)O 271570a_203496583355_100010065268 [2,0,0,0,0,0|1,0,0]=3 1696 B10R1.30 OCc1cc(ncc1F)O 271570a_203496583355_100000081974 [2,0,0,0,0,0|2,0,0]=4 1697 B10R1.30 OCc1nc(ccc1O)F 271570a_203496583355_100000701195 [2,0,0,0,0,0|2,0,0]=4 1698 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [2,0,0,0,0,0|1,0,1]=4 1699 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [1,1,0,0,0,0|2,0,0]=4 1700 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [1,1,0,0,0,0|2,0,0]=4 1701 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000070787_100000181865 [1,1,0,0,0,0|2,0,0]=4 1702 B12R1.75 CC(=O)Cc1ccccc1C#N 1458a_100000238613_200000210301 [1,1,0,0,0,0|2,0,0]=4 1703 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [1,1,0,0,0,0|1,0,1]=4 1704 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [1,1,0,0,0,0|1,0,0]=3 1705 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [1,1,0,0,0,0|1,1,0]=4 1706 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [1,1,0,0,0,0|1,1,0]=4 1707 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [1,1,0,0,0,0|2,0,0]=4 1708 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 1709 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 1710 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [1,1,0,0,0,0|1,0,0]=3 1711 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [1,1,0,0,0,0|1,0,0]=3 1712 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [1,1,0,0,0,0|1,0,0]=3 1713 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [1,1,0,0,0,0|2,0,0]=4 1714 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [1,1,0,0,0,0|2,0,0]=4 1716 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [1,1,0,0,0,0|2,0,0]=4 1718 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [1,1,0,0,0,0|2,0,0]=4 1720 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [1,1,0,0,0,0|2,0,0]=4 1721 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [1,1,0,0,0,0|1,1,0]=4 1722 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [1,1,0,0,0,0|1,1,0]=4 1723 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [1,1,0,0,0,0|1,1,0]=4 1724 B12R1.75 CSc1ccccc1CC(=O)N 62a_200000210301_200009814924 [1,1,0,0,0,0|1,1,0]=4 1725 B12R1.75 CSc1ccccc1CC(=O)N 62a_200009814924_200000210301 [1,1,0,0,0,0|1,1,0]=4 1726 B12R1.75 [13CH3]C(=O)Cc1ccccc1C#N 1458a_100000238613_200025704644 [1,1,0,0,0,0|2,0,0]=4 1727 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200009814924_200025704644 [1,1,0,0,0,0|1,1,0]=4 1728 B12R1.75 [13CH3]Sc1ccccc1CC(=O)N 62a_200025704644_200009814924 [1,1,0,0,0,0|1,1,0]=4 1729 B12R1.124 CC(=O)C(C)c1ccccc1Br 1458a_100012359601_200000210301 [1,1,0,0,0,0|2,0,0]=4 1730 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100000070787_100000181259 [1,1,0,0,0,0|2,0,0]=4 1731 B12R1.124 CC(=O)C(C)c1ccccc1Cl 1458a_100011667492_200000210301 [1,1,0,0,0,0|2,0,0]=4 1732 B12R1.124 CC(=O)C(C)c1ccccc1F 1458a_100000070787_200000741388 [1,1,0,0,0,0|2,0,0]=4 1733 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [1,1,0,0,0,0|2,0,0]=4 1734 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [1,1,0,0,0,0|2,0,0]=4 1735 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [1,1,0,0,0,0|2,0,0]=4 1736 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [1,1,0,0,0,0|2,0,0]=4 1737 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [1,1,0,0,0,0|2,0,0]=4 1738 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Br 1458a_100012359601_200025704644 [1,1,0,0,0,0|2,0,0]=4 1739 B12R1.124 CC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667492_200025704644 [1,1,0,0,0,0|2,0,0]=4 1740 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [1,1,0,0,0,0|2,0,0]=4 1741 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [1,1,0,0,0,0|2,0,0]=4 1742 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [1,1,0,0,0,0|2,0,0]=4 1743 B12R1.151 CS(=O)(=O)Cc1ccccc1O 271570a_203496583355_100009814642 [1,1,0,0,0,0|1,0,1]=4 1744 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [1,1,0,0,0,0|2,0,0]=4 1745 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1746 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100000070787_100010145525 [1,1,0,0,0,0|2,0,0]=4 1747 B12R1.224 CC(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200000210301 [1,1,0,0,0,0|2,0,0]=4 1748 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100000070787_100012351116 [1,1,0,0,0,0|2,0,0]=4 1749 B12R1.224 CC(=O)Cc1cccc(c1Br)F 1458a_100012356664_200000210301 [1,1,0,0,0,0|2,0,0]=4 1750 B12R1.224 CC(=O)Cc1cccc(c1Br)I 1458a_100000070787_100010254545 [1,1,0,0,0,0|2,0,0]=4 1751 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [1,1,0,0,0,0|2,0,0]=4 1752 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [1,1,0,0,0,0|2,0,0]=4 1753 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [1,1,0,0,0,0|2,0,0]=4 1754 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [1,1,0,0,0,0|2,0,0]=4 1755 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [1,1,0,0,0,0|2,0,0]=4 1756 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [1,1,0,0,0,0|2,0,0]=4 1757 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [1,1,0,0,0,0|2,0,0]=4 1758 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100000070787_100012349491 [1,1,0,0,0,0|2,0,0]=4 1759 B12R1.224 CC(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200000210301 [1,1,0,0,0,0|2,0,0]=4 1760 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000070787_100000720918 [1,1,0,0,0,0|2,0,0]=4 1761 B12R1.224 CC(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1762 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100000070787_100000696688 [1,1,0,0,0,0|2,0,0]=4 1763 B12R1.224 CC(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200000210301 [1,1,0,0,0,0|2,0,0]=4 1764 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100000070787_100012356507 [1,1,0,0,0,0|2,0,0]=4 1765 B12R1.224 CC(=O)Cc1cccc(c1F)Br 1458a_100011935088_200000210301 [1,1,0,0,0,0|2,0,0]=4 1766 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [1,1,0,0,0,0|2,0,0]=4 1767 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000070787_100000716733 [1,1,0,0,0,0|2,0,0]=4 1768 B12R1.224 CC(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200000210301 [1,1,0,0,0,0|2,0,0]=4 1769 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000070787_100000217499 [1,1,0,0,0,0|2,0,0]=4 1770 B12R1.224 CC(=O)Cc1cccc(c1F)F 1458a_100000684727_200000210301 [1,1,0,0,0,0|2,0,0]=4 1771 B12R1.224 CC(=O)Cc1cccc(c1I)F 1458a_100000070787_100010149603 [1,1,0,0,0,0|2,0,0]=4 1772 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [1,1,0,0,0,0|2,0,0]=4 1773 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [1,1,0,0,0,0|2,0,0]=4 1774 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [1,1,0,0,0,0|2,0,0]=4 1775 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [1,1,0,0,0,0|2,0,0]=4 1776 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [1,1,0,0,0,0|2,0,0]=4 1781 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [1,1,0,0,0,0|2,0,0]=4 1782 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [1,1,0,0,0,0|2,0,0]=4 1783 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [1,1,0,0,0,0|2,0,0]=4 1784 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [1,1,0,0,0,0|2,0,0]=4 1785 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [1,1,0,0,0,0|2,0,0]=4 1786 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [1,1,0,0,0,0|2,0,0]=4 1787 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1788 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [1,1,0,0,0,0|2,0,0]=4 1789 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [1,1,0,0,0,0|1,0,0]=3 1790 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)Cl 1458a_100010145769_200025704644 [1,1,0,0,0,0|2,0,0]=4 1791 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Br)F 1458a_100012356664_200025704644 [1,1,0,0,0,0|2,0,0]=4 1792 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Br 1458a_100010145770_200025704644 [1,1,0,0,0,0|2,0,0]=4 1793 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)Cl 1458a_100000759314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1794 B12R1.224 [13CH3]C(=O)Cc1cccc(c1Cl)F 1458a_100012001123_200025704644 [1,1,0,0,0,0|2,0,0]=4 1795 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Br 1458a_100011935088_200025704644 [1,1,0,0,0,0|2,0,0]=4 1796 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)Cl 1458a_100000709823_200025704644 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.224 [13CH3]C(=O)Cc1cccc(c1F)F 1458a_100000684727_200025704644 [1,1,0,0,0,0|2,0,0]=4 1798 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [1,1,0,0,0,0|2,0,0]=4 1799 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1800 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [1,1,0,0,0,0|2,0,0]=4 1801 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [1,1,0,0,0,0|2,0,0]=4 1802 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [1,1,0,0,0,0|2,0,0]=4 1803 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [1,1,0,0,0,0|2,0,0]=4 1805 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [1,1,0,0,0,0|2,0,0]=4 1806 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [1,1,0,0,0,0|2,0,0]=4 1807 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [1,1,0,0,0,0|2,0,0]=4 1808 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [1,1,0,0,0,0|2,0,0]=4 1809 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1810 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [1,1,0,0,0,0|2,0,0]=4 1811 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [1,1,0,0,0,0|2,0,0]=4 1812 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [1,1,0,0,0,0|2,0,0]=4 1813 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [1,1,0,0,0,0|2,0,0]=4 1815 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [1,1,0,0,0,0|2,0,0]=4 1816 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [1,1,0,0,0,0|2,0,0]=4 1817 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [1,1,0,0,0,0|2,0,0]=4 1819 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [1,1,0,0,0,0|2,0,0]=4 1825 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [1,1,0,0,0,0|2,0,0]=4 1826 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [1,1,0,0,0,0|2,0,0]=4 1830 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [1,1,0,0,0,0|2,0,0]=4 1833 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [1,1,0,0,0,0|2,0,0]=4 1834 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [1,1,0,0,0,0|1,0,0]=3 1835 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [1,1,0,0,0,0|2,0,0]=4 1836 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [1,1,0,0,0,0|2,0,0]=4 1837 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [1,1,0,0,0,0|2,0,0]=4 1838 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [1,1,0,0,0,0|2,0,0]=4 1839 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [1,1,0,0,0,0|2,0,0]=4 1840 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [1,1,0,0,0,0|2,0,0]=4 1841 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [1,1,0,0,0,0|2,0,0]=4 1842 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [1,1,0,0,0,0|2,0,0]=4 1843 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [1,1,0,0,0,0|2,0,0]=4 1844 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [1,1,0,0,0,0|2,0,0]=4 1845 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [1,1,0,0,0,0|2,0,0]=4 1846 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [1,1,0,0,0,0|2,0,0]=4 1847 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [1,1,0,0,0,0|2,0,0]=4 1848 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [1,1,0,0,0,0|2,0,0]=4 1849 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [1,1,0,0,0,0|2,0,0]=4 1850 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [1,1,0,0,0,0|2,0,0]=4 1851 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [1,1,0,0,0,0|2,0,0]=4 1852 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1853 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1854 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1855 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [1,1,0,0,0,0|2,0,0]=4 1856 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1857 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [1,1,0,0,0,0|2,0,0]=4 1858 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [1,1,0,0,0,0|2,0,0]=4 1859 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [1,1,0,0,0,0|2,0,0]=4 1860 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [1,1,0,0,0,0|2,0,0]=4 1861 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [1,1,0,0,0,0|2,0,0]=4 1862 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [1,1,0,0,0,0|2,0,0]=4 1865 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [1,1,0,0,0,0|2,0,0]=4 1866 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [1,1,0,0,0,0|1,0,0]=3 1867 B12R1.371 C#CC(=O)Cc1ccccc1Br 1458a_100000211873_100000184730 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.371 C#CC(=O)Cc1ccccc1C 1458a_100000211873_100000211839 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.371 C#CC(=O)Cc1ccccc1Cl 1458a_100000211873_100000187162 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.371 C#CC(=O)Cc1ccccc1F 1458a_100000211873_100000187165 [1,1,0,0,0,0|2,0,0]=4 1871 B12R1.371 C#CC(=O)Cc1ccccc1I 1458a_100000211873_100011216222 [1,1,0,0,0,0|2,0,0]=4 1872 B12R1.371 C#CC(=O)Cc1ncccc1O 1458a_100000211873_200020655725 [1,1,0,0,0,0|2,0,0]=4 1873 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [1,1,0,0,0,0|2,0,0]=4 1874 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [1,1,0,0,0,0|2,0,0]=4 1875 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [1,1,0,0,0,0|2,0,0]=4 1876 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [1,1,0,0,0,0|2,0,0]=4 1877 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [1,1,0,0,0,0|2,0,0]=4 1878 B12R1.371 C=CC(=O)Cc1ncccc1O 1458a_100000185746_200020655725 [1,1,0,0,0,0|2,0,0]=4 1879 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [1,1,0,0,0,0|2,0,0]=4 1883 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [1,1,0,0,0,0|2,0,0]=4 1890 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [1,1,0,0,0,0|1,0,0]=3 1891 B12R1.371 CCC(=O)Cc1ncccc1O 1458a_100000210414_200020655725 [1,1,0,0,0,0|2,0,0]=4 1892 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [1,1,0,0,0,0|2,0,0]=4 1893 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [1,1,0,0,0,0|2,0,0]=4 1894 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [1,1,0,0,0,0|2,0,0]=4 1895 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [1,1,0,0,0,0|2,0,0]=4 1896 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [1,1,0,0,0,0|2,0,0]=4 1897 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [1,1,0,0,0,0|2,0,0]=4 1898 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [1,1,0,0,0,0|2,0,0]=4 1899 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [1,1,0,0,0,0|2,0,0]=4 1900 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [1,1,0,0,0,0|2,0,0]=4 1902 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [1,1,0,0,0,0|2,0,0]=4 1905 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [1,1,0,0,0,0|2,0,0]=4 1907 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [1,1,0,0,0,0|2,0,0]=4 1908 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [1,1,0,0,0,0|2,0,0]=4 1909 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [1,1,0,0,0,0|2,0,0]=4 1910 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [1,1,0,0,0,0|2,0,0]=4 1911 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [1,1,0,0,0,0|2,0,0]=4 1912 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [1,1,0,0,0,0|2,0,0]=4 1913 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [1,1,0,0,0,0|2,0,0]=4 1914 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [1,1,0,0,0,0|1,0,0]=3 1915 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [1,1,0,0,0,0|1,0,0]=3 1916 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [1,1,0,0,0,0|1,0,0]=3 1917 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [1,1,0,0,0,0|2,0,0]=4 1918 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [1,1,0,0,0,0|0,0,0]=2 1919 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [1,1,0,0,0,0|1,0,0]=3 1920 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [1,1,0,0,0,0|1,0,0]=3 1921 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [1,1,0,0,0,0|1,0,0]=3 1922 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [1,1,0,0,0,0|1,0,0]=3 1924 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [1,1,0,0,0,0|2,0,0]=4 1925 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [1,1,0,0,0,0|2,0,0]=4 1926 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [1,1,0,0,0,0|2,0,0]=4 1927 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [1,1,0,0,0,0|2,0,0]=4 1930 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [1,1,0,0,0,0|1,0,0]=3 1931 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [1,1,0,0,0,0|2,0,0]=4 1932 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [1,1,0,0,0,0|2,0,0]=4 1935 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [1,1,0,0,0,0|1,0,0]=3 1936 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [1,1,0,0,0,0|1,0,0]=3 1937 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [1,1,0,0,0,0|1,0,0]=3 1938 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [1,1,0,0,0,0|1,0,0]=3 1939 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [1,1,0,0,0,0|1,0,0]=3 1940 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [1,1,0,0,0,0|1,0,0]=3 1948 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [1,1,0,0,0,0|2,0,0]=4 1951 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [1,1,0,0,0,0|2,0,0]=4 1952 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [1,1,0,0,0,0|1,0,0]=3 1953 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [1,1,0,0,0,0|1,0,0]=3 1954 B12R1.1009 CC(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200000210301 [1,1,0,0,0,0|2,0,0]=4 1955 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [1,1,0,0,0,0|2,0,0]=4 1956 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100000070787_100010138402 [1,1,0,0,0,0|2,0,0]=4 1958 B12R1.1009 CC(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200000210301 [1,1,0,0,0,0|2,0,0]=4 1959 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100000070787_100000696636 [1,1,0,0,0,0|2,0,0]=4 1960 B12R1.1009 CC(=O)Cc1c(cccc1Br)F 1458a_100010172741_200000210301 [1,1,0,0,0,0|2,0,0]=4 1961 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [1,1,0,0,0,0|2,0,0]=4 1962 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000070787_100000187851 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200000210301 [1,1,0,0,0,0|2,0,0]=4 1965 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000070787_100000187852 [1,1,0,0,0,0|2,0,0]=4 1966 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000070787_100000698325 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.1009 CC(=O)Cc1c(cccc1F)F 1458a_100000684726_200000210301 [1,1,0,0,0,0|2,0,0]=4 1970 B12R1.1009 CC(=O)Cc1c(cccc1I)Br 1458a_100000070787_100010146611 [1,1,0,0,0,0|2,0,0]=4 1971 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [1,1,0,0,0,0|2,0,0]=4 1972 B12R1.1009 CC(=O)Cc1c(cccc1I)F 1458a_100000070787_100010149602 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 527a_100011934926_100103153847 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000070787 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100103153847 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.1009 CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000070787 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.1009 CC(=O)Nc1c(cccc1F)O 527a_100020591140_100103153847 [1,1,0,0,0,0|2,0,0]=4 1978 B12R1.1009 CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000070787 [1,1,0,0,0,0|2,0,0]=4 1979 B12R1.1009 CC(=O)Nc1c(cccc1I)O 527a_200000049512_100103153847 [1,1,0,0,0,0|2,0,0]=4 1980 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [1,1,0,0,0,0|2,0,0]=4 1981 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [1,1,0,0,0,0|2,0,0]=4 1982 B12R1.1009 CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000070787 [1,1,0,0,0,0|2,0,0]=4 1983 B12R1.1009 CC(=O)Nc1c(cccc1O)O 527a_100011995820_100103153847 [1,1,0,0,0,0|2,0,0]=4 1984 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1985 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [1,1,0,0,0,0|2,0,0]=4 1986 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Br 1458a_100010209379_200025704644 [1,1,0,0,0,0|2,0,0]=4 1987 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)Cl 1458a_100013084675_200025704644 [1,1,0,0,0,0|2,0,0]=4 1988 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Br)F 1458a_100010172741_200025704644 [1,1,0,0,0,0|2,0,0]=4 1989 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_200025704644 [1,1,0,0,0,0|2,0,0]=4 1990 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1Cl)F 1458a_100000185183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1991 B12R1.1009 [13CH3]C(=O)Cc1c(cccc1F)F 1458a_100000684726_200025704644 [1,1,0,0,0,0|2,0,0]=4 1992 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [1,1,0,0,0,0|2,0,0]=4 1993 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [1,1,0,0,0,0|2,0,0]=4 1994 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [1,1,0,0,0,0|2,0,0]=4 1995 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [1,1,0,0,0,0|2,0,0]=4 1996 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [1,1,0,0,0,0|2,0,0]=4 1997 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [1,1,0,0,0,0|2,0,0]=4 1998 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [1,1,0,0,0,0|2,0,0]=4 1999 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2000 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [1,1,0,0,0,0|2,0,0]=4 2001 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [1,1,0,0,0,0|2,0,0]=4 2002 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [1,1,0,0,0,0|2,0,0]=4 2003 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [1,1,0,0,0,0|2,0,0]=4 2004 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [1,1,0,0,0,0|2,0,0]=4 2005 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [1,1,0,0,0,0|2,0,0]=4 2006 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [1,1,0,0,0,0|2,0,0]=4 2007 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [1,1,0,0,0,0|2,0,0]=4 2008 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [1,1,0,0,0,0|2,0,0]=4 2009 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [1,1,0,0,0,0|2,0,0]=4 2010 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [1,1,0,0,0,0|2,0,0]=4 2011 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [1,1,0,0,0,0|2,0,0]=4 2012 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [1,1,0,0,0,0|2,0,0]=4 2013 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [1,1,0,0,0,0|2,0,0]=4 2014 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [1,1,0,0,0,0|2,0,0]=4 2015 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [1,1,0,0,0,0|2,0,0]=4 2016 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [1,1,0,0,0,0|2,0,0]=4 2018 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [1,1,0,0,0,0|2,0,0]=4 2019 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [1,1,0,0,0,0|2,0,0]=4 2020 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [1,1,0,0,0,0|2,0,0]=4 2021 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [1,1,0,0,0,0|2,0,0]=4 2022 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2023 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [1,1,0,0,0,0|2,0,0]=4 2024 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [1,1,0,0,0,0|2,0,0]=4 2025 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [1,1,0,0,0,0|2,0,0]=4 2026 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [1,1,0,0,0,0|2,0,0]=4 2028 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [1,1,0,0,0,0|2,0,0]=4 2029 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [1,1,0,0,0,0|2,0,0]=4 2030 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [1,1,0,0,0,0|2,0,0]=4 2031 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [1,1,0,0,0,0|1,0,0]=3 2032 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2033 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [1,1,0,0,0,0|1,0,0]=3 2034 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [1,1,0,0,0,0|2,0,0]=4 2035 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [1,1,0,0,0,0|2,0,0]=4 2036 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [1,1,0,0,0,0|2,0,0]=4 2037 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [1,1,0,0,0,0|2,0,0]=4 2038 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [1,1,0,0,0,0|2,0,0]=4 2039 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [1,1,0,0,0,0|2,0,0]=4 2040 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [1,1,0,0,0,0|2,0,0]=4 2041 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [1,1,0,0,0,0|2,0,0]=4 2042 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [1,1,0,0,0,0|2,0,0]=4 2043 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [1,1,0,0,0,0|2,0,0]=4 2044 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [1,1,0,0,0,0|2,0,0]=4 2045 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [1,1,0,0,0,0|2,0,0]=4 2046 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [1,1,0,0,0,0|2,0,0]=4 2047 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [1,1,0,0,0,0|2,0,0]=4 2048 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [1,1,0,0,0,0|2,0,0]=4 2049 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [1,1,0,0,0,0|2,0,0]=4 2050 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [1,1,0,0,0,0|2,0,0]=4 2051 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [1,1,0,0,0,0|1,0,0]=3 2052 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [1,1,0,0,0,0|2,0,0]=4 2053 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [1,1,0,0,0,0|2,0,0]=4 2054 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2055 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [1,1,0,0,0,0|2,0,0]=4 2056 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [1,1,0,0,0,0|2,0,0]=4 2057 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [1,1,0,0,0,0|2,0,0]=4 2058 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [1,1,0,0,0,0|2,0,0]=4 2059 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [1,1,0,0,0,0|2,0,0]=4 2060 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2061 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [1,1,0,0,0,0|2,0,0]=4 2062 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2063 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [1,1,0,0,0,0|2,0,0]=4 2064 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2065 B12R1.50 C#CC(=O)Cc1cccc(c1)Br 1458a_100000211873_100000211773 [1,1,0,0,0,0|2,0,0]=4 2066 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [1,1,0,0,0,0|2,0,0]=4 2067 B12R1.50 C#CC(=O)Cc1cccc(c1)Cl 1458a_100000211873_100000181238 [1,1,0,0,0,0|2,0,0]=4 2068 B12R1.50 C#CC(=O)Cc1cccc(c1)F 1458a_100000211873_100000230114 [1,1,0,0,0,0|2,0,0]=4 2069 B12R1.50 C#CC(=O)Cc1cccc(c1)I 1458a_100000211873_100011218688 [1,1,0,0,0,0|2,0,0]=4 2070 B12R1.50 C#CC(=O)Cc1cccc(c1)O 1458a_100000211873_100011660834 [1,1,0,0,0,0|1,0,0]=3 2071 B12R1.50 C=CC(=O)Cc1cccc(c1)Br 1458a_100000185746_100000211773 [1,1,0,0,0,0|2,0,0]=4 2072 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [1,1,0,0,0,0|2,0,0]=4 2073 B12R1.50 C=CC(=O)Cc1cccc(c1)Cl 1458a_100000185746_100000181238 [1,1,0,0,0,0|2,0,0]=4 2074 B12R1.50 C=CC(=O)Cc1cccc(c1)F 1458a_100000185746_100000230114 [1,1,0,0,0,0|2,0,0]=4 2075 B12R1.50 C=CC(=O)Cc1cccc(c1)I 1458a_100000185746_100011218688 [1,1,0,0,0,0|2,0,0]=4 2076 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [1,1,0,0,0,0|1,0,0]=3 2077 B12R1.50 C=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000185746 [1,1,0,0,0,0|2,0,0]=4 2078 B12R1.50 C=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000185746 [1,1,0,0,0,0|2,0,0]=4 2079 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [1,1,0,0,0,0|2,0,0]=4 2080 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [1,1,0,0,0,0|2,0,0]=4 2081 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [1,1,0,0,0,0|2,0,0]=4 2082 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [1,1,0,0,0,0|2,0,0]=4 2083 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [1,1,0,0,0,0|2,0,0]=4 2084 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2085 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [1,1,0,0,0,0|2,0,0]=4 2086 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2087 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [1,1,0,0,0,0|2,0,0]=4 2088 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [1,1,0,0,0,0|2,0,0]=4 2089 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [1,1,0,0,0,0|1,0,0]=3 2090 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [1,1,0,0,0,0|1,0,0]=3 2091 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2092 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2093 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [1,1,0,0,0,0|2,0,0]=4 2094 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [1,1,0,0,0,0|2,0,0]=4 2095 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [1,1,0,0,0,0|2,0,0]=4 2096 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [1,1,0,0,0,0|2,0,0]=4 2097 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [1,1,0,0,0,0|2,0,0]=4 2098 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 2099 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 2100 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [1,1,0,0,0,0|2,0,0]=4 2101 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [1,1,0,0,0,0|2,0,0]=4 2102 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 2103 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 2104 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [1,1,0,0,0,0|2,0,0]=4 2105 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [1,1,0,0,0,0|2,0,0]=4 2106 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 2107 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 2108 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [1,1,0,0,0,0|2,0,0]=4 2109 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [1,1,0,0,0,0|2,0,0]=4 2110 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 2111 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 2112 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [1,1,0,0,0,0|2,0,0]=4 2113 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [1,1,0,0,0,0|1,0,0]=3 2114 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [1,1,0,0,0,0|1,0,0]=3 2115 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [1,1,0,0,0,0|2,0,0]=4 2116 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [1,1,0,0,0,0|2,0,0]=4 2117 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [1,1,0,0,0,0|1,0,0]=3 2118 B12R1.50 COC(=O)Cc1cc(ncn1)O 271570a_203496583355_100000104187 [1,1,0,0,0,0|2,0,0]=4 2119 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [1,1,0,0,0,0|0,0,0]=2 2120 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [1,1,0,0,0,0|1,0,0]=3 2121 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [1,1,0,0,0,0|1,0,0]=3 2122 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [1,1,0,0,0,0|2,0,0]=4 2123 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [1,1,0,0,0,0|2,0,0]=4 2124 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [1,1,0,0,0,0|1,0,0]=3 2125 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [1,1,0,0,0,0|2,0,0]=4 2126 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [1,1,0,0,0,0|2,0,0]=4 2127 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [1,1,0,0,0,0|2,0,0]=4 2128 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [1,1,0,0,0,0|2,0,0]=4 2129 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [1,1,0,0,0,0|2,0,0]=4 2130 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [1,1,0,0,0,0|1,0,1]=4 2131 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [1,1,0,0,0,0|2,0,0]=4 2132 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [1,1,0,0,0,0|2,0,0]=4 2133 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [1,1,0,0,0,0|2,0,0]=4 2134 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [1,1,0,0,0,0|2,0,0]=4 2135 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [1,1,0,0,0,0|1,0,0]=3 2136 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [1,1,0,0,0,0|2,0,0]=4 2137 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [1,1,0,0,0,0|2,0,0]=4 2138 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [1,1,0,0,0,0|1,0,0]=3 2139 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [1,1,0,0,0,0|1,0,0]=3 2140 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [1,1,0,0,0,0|1,0,0]=3 2141 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [1,1,0,0,0,0|1,0,0]=3 2142 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [1,1,0,0,0,0|0,0,0]=2 2143 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [1,1,0,0,0,0|2,0,0]=4 2144 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [1,1,0,0,0,0|2,0,0]=4 2145 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [1,1,0,0,0,0|2,0,0]=4 2146 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [1,1,0,0,0,0|2,0,0]=4 2147 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [1,1,0,0,0,0|2,0,0]=4 2148 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [1,1,0,0,0,0|2,0,0]=4 2149 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [1,1,0,0,0,0|2,0,0]=4 2150 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [1,1,0,0,0,0|2,0,0]=4 2151 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [1,1,0,0,0,0|2,0,0]=4 2152 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [1,1,0,0,0,0|2,0,0]=4 2153 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [1,1,0,0,0,0|2,0,0]=4 2154 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [1,1,0,0,0,0|2,0,0]=4 2155 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [1,1,0,0,0,0|2,0,0]=4 2156 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [1,1,0,0,0,0|2,0,0]=4 2157 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [1,1,0,0,0,0|2,0,0]=4 2158 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [1,1,0,0,0,0|1,0,0]=3 2159 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [1,1,0,0,0,0|1,0,0]=3 2160 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100000070787_100011216082 [1,1,0,0,0,0|2,0,0]=4 2161 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2162 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [1,1,0,0,0,0|2,0,0]=4 2163 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100000070787_100000766940 [1,1,0,0,0,0|2,0,0]=4 2164 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2165 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [1,1,0,0,0,0|2,0,0]=4 2166 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [1,1,0,0,0,0|2,0,0]=4 2167 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [1,1,0,0,0,0|2,0,0]=4 2168 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [1,1,0,0,0,0|2,0,0]=4 2169 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100000070787_100011219885 [1,1,0,0,0,0|2,0,0]=4 2170 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200000210301 [1,1,0,0,0,0|2,0,0]=4 2171 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [1,1,0,0,0,0|2,0,0]=4 2172 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [1,1,0,0,0,0|2,0,0]=4 2173 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100000070787_100000697002 [1,1,0,0,0,0|2,0,0]=4 2174 B12R1.101 CC(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200000210301 [1,1,0,0,0,0|2,0,0]=4 2175 B12R1.101 CC(=O)Cc1cc(cc(c1)I)Br 1458a_100000070787_100010146614 [1,1,0,0,0,0|2,0,0]=4 2176 B12R1.101 CC(=O)Cc1cc(cc(c1)I)F 1458a_100000070787_100010149605 [1,1,0,0,0,0|2,0,0]=4 2177 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 1626a_100000123917_100015343762 [1,1,0,0,0,0|2,0,0]=4 2178 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)O 22a_100000123917_100000070787 [1,1,0,0,0,0|2,0,0]=4 2179 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [1,1,0,0,0,0|2,0,0]=4 2180 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [1,1,0,0,0,0|2,0,0]=4 2181 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [1,1,0,0,0,0|2,0,0]=4 2182 B12R1.101 CC(=O)Nc1cc(cc(c1)O)O 527a_100000043371_100103153847 [1,1,0,0,0,0|2,0,0]=4 2183 B12R1.101 CC(=O)Oc1cc(cc(c1)F)O 271570a_203496583355_200015324874 [1,1,0,0,0,0|2,0,0]=4 2184 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [1,1,0,0,0,0|2,0,0]=4 2185 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [1,1,0,0,0,0|2,0,0]=4 2186 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)Br 1458a_100010186705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2187 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Br)F 1458a_100011935118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2188 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [1,1,0,0,0,0|2,0,0]=4 2189 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)F 1458a_100011217690_200025704644 [1,1,0,0,0,0|2,0,0]=4 2190 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)F)F 1458a_100011220011_200025704644 [1,1,0,0,0,0|2,0,0]=4 2191 B12R1.119 CS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_200009814643 [1,1,0,0,0,0|1,0,1]=4 2192 B12R1.119 NS(=O)(=O)Cc1cccc(c1)O 271570a_203496583355_100000725052 [1,1,0,0,0,0|1,0,1]=4 2193 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [1,1,0,0,0,0|2,0,0]=4 2194 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [1,1,0,0,0,0|2,0,0]=4 2195 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [1,1,0,0,0,0|2,0,0]=4 2196 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2197 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [1,1,0,0,0,0|2,0,0]=4 2198 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2199 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [1,1,0,0,0,0|2,0,0]=4 2200 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [1,1,0,0,0,0|2,0,0]=4 2201 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [1,1,0,0,0,0|2,0,0]=4 2202 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [1,1,0,0,0,0|2,0,0]=4 2203 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [1,1,0,0,0,0|2,0,0]=4 2204 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2205 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [1,1,0,0,0,0|2,0,0]=4 2206 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [1,1,0,0,0,0|2,0,0]=4 2207 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2208 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [1,1,0,0,0,0|2,0,0]=4 2209 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [1,1,0,0,0,0|2,0,0]=4 2210 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [1,1,0,0,0,0|2,0,0]=4 2211 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [1,1,0,0,0,0|2,0,0]=4 2212 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [1,1,0,0,0,0|1,0,1]=4 2213 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [1,1,0,0,0,0|1,0,0]=3 2214 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [1,1,0,0,0,0|1,1,0]=4 2215 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [1,1,0,0,0,0|1,1,0]=4 2216 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [1,1,0,0,0,0|2,0,0]=4 2217 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [1,1,0,0,0,0|2,0,0]=4 2218 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [1,1,0,0,0,0|2,0,0]=4 2219 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [1,1,0,0,0,0|2,0,0]=4 2220 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [1,1,0,0,0,0|2,0,0]=4 2221 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2222 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2223 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [1,1,0,0,0,0|2,0,0]=4 2224 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [1,1,0,0,0,0|2,0,0]=4 2225 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [1,1,0,0,0,0|2,0,0]=4 2226 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [1,1,0,0,0,0|1,0,0]=3 2227 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [1,1,0,0,0,0|1,0,0]=3 2228 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2229 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2230 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [1,1,0,0,0,0|1,0,0]=3 2231 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [1,1,0,0,0,0|2,0,0]=4 2232 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [1,1,0,0,0,0|2,0,0]=4 2233 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [1,1,0,0,0,0|2,0,0]=4 2234 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [1,1,0,0,0,0|2,0,0]=4 2235 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [1,1,0,0,0,0|2,0,0]=4 2236 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [1,1,0,0,0,0|2,0,0]=4 2237 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2238 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [1,1,0,0,0,0|2,0,0]=4 2240 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [1,1,0,0,0,0|2,0,0]=4 2241 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [1,1,0,0,0,0|2,0,0]=4 2242 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [1,1,0,0,0,0|1,1,0]=4 2243 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [1,1,0,0,0,0|1,1,0]=4 2244 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [1,1,0,0,0,0|1,1,0]=4 2245 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [1,1,0,0,0,0|1,1,0]=4 2246 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [1,1,0,0,0,0|1,1,0]=4 2247 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [1,1,0,0,0,0|1,1,0]=4 2248 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [1,1,0,0,0,0|2,0,0]=4 2249 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2250 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2251 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2252 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2253 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2255 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [1,1,0,0,0,0|1,1,0]=4 2256 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [1,1,0,0,0,0|1,1,0]=4 2257 B12R1.268 CC=Cc1cc(ccc1CO)O 271570a_100016259895_100010146404 [1,1,0,0,0,0|1,0,1]=4 2258 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [1,1,0,0,0,0|1,0,1]=4 2259 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [1,1,0,0,0,0|2,0,0]=4 2260 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [1,1,0,0,0,0|2,0,0]=4 2261 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [1,1,0,0,0,0|2,0,0]=4 2262 B12R1.268 COc1ccc(cc1CC#N)O 271570a_203496583355_200011218486 [1,1,0,0,0,0|1,0,1]=4 2263 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [1,1,0,0,0,0|1,0,1]=4 2264 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [1,1,0,0,0,0|1,0,1]=4 2265 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [1,1,0,0,0,0|1,0,1]=4 2266 B12R1.270 COc1ccc(c(c1)CC#N)O 271570a_203496583355_100012259381 [1,1,0,0,0,0|1,0,1]=4 2267 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [1,1,0,0,0,0|0,0,1]=3 2268 B12R1.354 N[C@H](CO)c1cc(ccc1F)O 271570a_203496583355_100010142275 [1,1,0,0,0,0|1,0,1]=4 2269 B12R1.374 C#CCSc1cc(ccc1O)O 62a_100000038162_100009813629 [1,1,0,0,0,0|1,0,1]=4 2270 B12R1.374 C=CCNc1cc(ccc1Br)O 34a_100011999798_100015514636 [1,1,0,0,0,0|2,0,0]=4 2271 B12R1.374 C=CCNc1cc(ccc1C)O 34a_100011216113_100015514636 [1,1,0,0,0,0|2,0,0]=4 2272 B12R1.374 C=CCNc1cc(ccc1Cl)O 34a_100011934297_100015514636 [1,1,0,0,0,0|2,0,0]=4 2273 B12R1.374 C=CCNc1cc(ccc1F)O 34a_100012017239_100015514636 [1,1,0,0,0,0|2,0,0]=4 2274 B12R1.374 C=CCNc1cc(ccc1O)Br 34a_100000752626_100015514636 [1,1,0,0,0,0|2,0,0]=4 2275 B12R1.374 C=CCNc1cc(ccc1O)C 34a_100011215204_100015514636 [1,1,0,0,0,0|2,0,0]=4 2276 B12R1.374 C=CCNc1cc(ccc1O)Cl 34a_100000210500_100015514636 [1,1,0,0,0,0|2,0,0]=4 2277 B12R1.374 C=CCNc1cc(ccc1O)F 34a_100000759472_100015514636 [1,1,0,0,0,0|2,0,0]=4 2278 B12R1.374 C=CCSc1cc(ccc1Br)O 62a_100000210623_100012339312 [1,1,0,0,0,0|2,0,0]=4 2279 B12R1.374 C=CCSc1cc(ccc1Br)O 62a_100012339312_100000210623 [1,1,0,0,0,0|2,0,0]=4 2280 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100000210623_100011380479 [1,1,0,0,0,0|2,0,0]=4 2281 B12R1.374 C=CCSc1cc(ccc1C)O 62a_100011380479_100000210623 [1,1,0,0,0,0|2,0,0]=4 2282 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000049588_100000210623 [1,1,0,0,0,0|2,0,0]=4 2283 B12R1.374 C=CCSc1cc(ccc1Cl)O 62a_100000210623_100000049588 [1,1,0,0,0,0|2,0,0]=4 2284 B12R1.374 C=CCSc1cc(ccc1F)O 62a_100000210623_100000693481 [1,1,0,0,0,0|2,0,0]=4 2285 B12R1.374 C=CCSc1cc(ccc1F)O 62a_100000693481_100000210623 [1,1,0,0,0,0|2,0,0]=4 2286 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100000210623_100012001276 [1,1,0,0,0,0|2,0,0]=4 2287 B12R1.374 C=CCSc1cc(ccc1N)O 62a_100012001276_100000210623 [1,1,0,0,0,0|2,0,0]=4 2288 B12R1.374 C=CCSc1cc(ccc1O)Br 62a_100000210623_100012355227 [1,1,0,0,0,0|2,0,0]=4 2289 B12R1.374 C=CCSc1cc(ccc1O)Br 62a_100012355227_100000210623 [1,1,0,0,0,0|2,0,0]=4 2290 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000210623_100000765521 [1,1,0,0,0,0|2,0,0]=4 2291 B12R1.374 C=CCSc1cc(ccc1O)C 62a_100000765521_100000210623 [1,1,0,0,0,0|2,0,0]=4 2292 B12R1.374 C=CCSc1cc(ccc1O)Cl 62a_100000210623_100011356953 [1,1,0,0,0,0|2,0,0]=4 2293 B12R1.374 C=CCSc1cc(ccc1O)Cl 62a_100011356953_100000210623 [1,1,0,0,0,0|2,0,0]=4 2294 B12R1.374 C=CCSc1cc(ccc1O)F 62a_100000210623_100000211999 [1,1,0,0,0,0|2,0,0]=4 2295 B12R1.374 C=CCSc1cc(ccc1O)F 62a_100000211999_100000210623 [1,1,0,0,0,0|2,0,0]=4 2296 B12R1.374 C=CCSc1cc(ccc1O)N 62a_100000210623_100011534360 [1,1,0,0,0,0|2,0,0]=4 2297 B12R1.374 C=CCSc1cc(ccc1O)N 62a_100011534360_100000210623 [1,1,0,0,0,0|2,0,0]=4 2298 B12R1.374 C=CCSc1cc(ccc1O)O 62a_100000210623_100009813629 [1,1,0,0,0,0|1,0,0]=3 2299 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [1,1,0,0,0,0|1,0,1]=4 2300 B12R1.374 CCCSc1cc(ccc1O)O 62a_100000210303_100009813629 [1,1,0,0,0,0|1,0,1]=4 2301 B12R1.374 CCNCc1cc(ccc1O)O 271570a_203496583355_100000765307 [1,1,0,0,0,0|1,0,1]=4 2302 B12R1.374 COCSc1cc(ccc1O)O 62a_100000766300_100009813629 [1,1,0,0,0,0|1,0,1]=4 2303 B12R1.374 CSCSc1cc(ccc1O)O 62a_100011218213_100009813629 [1,1,0,0,0,0|2,0,0]=4 2304 B12R1.374 Cc1cc(c(cn1)O)SCC=O 62a_100009843476_200015260668 [1,1,0,0,0,0|2,0,0]=4 2305 B12R1.374 Cc1cc(c(cn1)O)SCC=O 62a_200015260668_100009843476 [1,1,0,0,0,0|2,0,0]=4 2306 B12R1.374 Cc1ccc(c(c1)NCC=O)Br 34a_100000745044_200009817547 [1,1,0,0,0,0|2,0,0]=4 2307 B12R1.374 Cc1ccc(c(c1)NCC=O)C 2230a_100000185781_200015260668 [1,1,0,0,0,0|2,0,0]=4 2308 B12R1.374 Cc1ccc(c(c1)NCC=O)C 34a_100000185781_200009817547 [1,1,0,0,0,0|2,0,0]=4 2309 B12R1.374 Cc1ccc(c(c1)NCC=O)C 7a_100000185781_200015260668 [1,1,0,0,0,0|2,0,0]=4 2310 B12R1.374 Cc1ccc(c(c1)NCC=O)Cl 34a_100011215360_200009817547 [1,1,0,0,0,0|2,0,0]=4 2311 B12R1.374 Cc1ccc(c(c1)NCC=O)F 34a_100000211285_200009817547 [1,1,0,0,0,0|2,0,0]=4 2312 B12R1.374 Cc1ccc(c(c1)NCC=O)I 34a_100011216686_200009817547 [1,1,0,0,0,0|2,0,0]=4 2313 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [1,1,0,0,0,0|1,0,0]=3 2314 B12R1.374 Cc1ccc(c(c1)NCCO)O 34a_100011215204_100000211926 [1,1,0,0,0,0|1,0,1]=4 2315 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 34a_100012002257_200009817547 [1,1,0,0,0,0|2,0,0]=4 2316 B12R1.374 Cc1ccc(c(c1)OCC=O)Br 7a_100012002257_200015260668 [1,1,0,0,0,0|2,0,0]=4 2317 B12R1.374 Cc1ccc(c(c1)OCC=O)C 34a_100000210931_200009817547 [1,1,0,0,0,0|2,0,0]=4 2318 B12R1.374 Cc1ccc(c(c1)OCC=O)C 7a_100000210931_200015260668 [1,1,0,0,0,0|2,0,0]=4 2319 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 34a_100000211493_200009817547 [1,1,0,0,0,0|2,0,0]=4 2320 B12R1.374 Cc1ccc(c(c1)OCC=O)Cl 7a_100000211493_200015260668 [1,1,0,0,0,0|2,0,0]=4 2321 B12R1.374 Cc1ccc(c(c1)OCC=O)F 34a_100000759540_200009817547 [1,1,0,0,0,0|2,0,0]=4 2322 B12R1.374 Cc1ccc(c(c1)OCC=O)F 7a_100000759540_200015260668 [1,1,0,0,0,0|2,0,0]=4 2323 B12R1.374 Cc1ccc(c(c1)OCC=O)N 34a_100000211527_200009817547 [1,1,0,0,0,0|2,0,0]=4 2324 B12R1.374 Cc1ccc(c(c1)OCC=O)N 7a_100000211527_200015260668 [1,1,0,0,0,0|2,0,0]=4 2325 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_100012353751_200015260668 [1,1,0,0,0,0|2,0,0]=4 2326 B12R1.374 Cc1ccc(c(c1)SCC=O)Br 62a_200015260668_100012353751 [1,1,0,0,0,0|2,0,0]=4 2327 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_100000210833_200015260668 [1,1,0,0,0,0|2,0,0]=4 2328 B12R1.374 Cc1ccc(c(c1)SCC=O)C 62a_200015260668_100000210833 [1,1,0,0,0,0|2,0,0]=4 2329 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_100012356289_200015260668 [1,1,0,0,0,0|2,0,0]=4 2330 B12R1.374 Cc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012356289 [1,1,0,0,0,0|2,0,0]=4 2331 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_100000736223_200015260668 [1,1,0,0,0,0|2,0,0]=4 2332 B12R1.374 Cc1ccc(c(c1)SCC=O)F 62a_200015260668_100000736223 [1,1,0,0,0,0|2,0,0]=4 2333 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_100011356834_200015260668 [1,1,0,0,0,0|2,0,0]=4 2334 B12R1.374 Cc1ccc(c(c1)SCC=O)N 62a_200015260668_100011356834 [1,1,0,0,0,0|2,0,0]=4 2335 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [1,1,0,0,0,0|1,0,0]=3 2336 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [1,1,0,0,0,0|1,0,0]=3 2337 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000765521 [1,1,0,0,0,0|1,0,1]=4 2338 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000765521_100000211926 [1,1,0,0,0,0|1,0,1]=4 2339 B12R1.374 Cc1ccc(c(n1)SCC=O)O 62a_100000702858_200015260668 [1,1,0,0,0,0|2,0,0]=4 2340 B12R1.374 Cc1ccc(c(n1)SCC=O)O 62a_200015260668_100000702858 [1,1,0,0,0,0|2,0,0]=4 2341 B12R1.374 Cc1ccc(cc1NCC=O)Br 34a_100000741167_200009817547 [1,1,0,0,0,0|2,0,0]=4 2342 B12R1.374 Cc1ccc(cc1NCC=O)Br 7a_100000741167_200015260668 [1,1,0,0,0,0|2,0,0]=4 2343 B12R1.374 Cc1ccc(cc1NCC=O)Cl 34a_100000211374_200009817547 [1,1,0,0,0,0|2,0,0]=4 2344 B12R1.374 Cc1ccc(cc1NCC=O)Cl 7a_100000211374_200015260668 [1,1,0,0,0,0|2,0,0]=4 2345 B12R1.374 Cc1ccc(cc1NCC=O)F 34a_100000211107_200009817547 [1,1,0,0,0,0|2,0,0]=4 2346 B12R1.374 Cc1ccc(cc1NCC=O)F 7a_100000211107_200015260668 [1,1,0,0,0,0|2,0,0]=4 2347 B12R1.374 Cc1ccc(cc1NCC=O)I 7a_100000761890_200015260668 [1,1,0,0,0,0|2,0,0]=4 2348 B12R1.374 Cc1ccc(cc1NCC=O)O 34a_100011216113_200009817547 [1,1,0,0,0,0|1,0,0]=3 2349 B12R1.374 Cc1ccc(cc1NCCO)O 34a_100011216113_100000211926 [1,1,0,0,0,0|1,0,1]=4 2350 B12R1.374 Cc1ccc(cc1OCC=O)Br 34a_100000685420_200009817547 [1,1,0,0,0,0|2,0,0]=4 2351 B12R1.374 Cc1ccc(cc1OCC=O)Br 7a_100000685420_200015260668 [1,1,0,0,0,0|2,0,0]=4 2352 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [1,1,0,0,0,0|2,0,0]=4 2353 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [1,1,0,0,0,0|2,0,0]=4 2354 B12R1.374 Cc1ccc(cc1OCC=O)F 34a_100000690566_200009817547 [1,1,0,0,0,0|2,0,0]=4 2355 B12R1.374 Cc1ccc(cc1OCC=O)F 7a_100000690566_200015260668 [1,1,0,0,0,0|2,0,0]=4 2356 B12R1.374 Cc1ccc(cc1OCC=O)I 7a_100000766334_200015260668 [1,1,0,0,0,0|2,0,0]=4 2357 B12R1.374 Cc1ccc(cc1OCC=O)N 34a_100000759471_200009817547 [1,1,0,0,0,0|2,0,0]=4 2358 B12R1.374 Cc1ccc(cc1OCC=O)N 7a_100000759471_200015260668 [1,1,0,0,0,0|2,0,0]=4 2359 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_100011344865_200015260668 [1,1,0,0,0,0|2,0,0]=4 2360 B12R1.374 Cc1ccc(cc1SCC=O)Br 62a_200015260668_100011344865 [1,1,0,0,0,0|2,0,0]=4 2361 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_100011263213_200015260668 [1,1,0,0,0,0|2,0,0]=4 2362 B12R1.374 Cc1ccc(cc1SCC=O)Cl 62a_200015260668_100011263213 [1,1,0,0,0,0|2,0,0]=4 2363 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_100011218078_200015260668 [1,1,0,0,0,0|2,0,0]=4 2364 B12R1.374 Cc1ccc(cc1SCC=O)F 62a_200015260668_100011218078 [1,1,0,0,0,0|2,0,0]=4 2365 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_100000736455_200015260668 [1,1,0,0,0,0|2,0,0]=4 2366 B12R1.374 Cc1ccc(cc1SCC=O)N 62a_200015260668_100000736455 [1,1,0,0,0,0|2,0,0]=4 2367 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_100011380479_200015260668 [1,1,0,0,0,0|1,0,0]=3 2368 B12R1.374 Cc1ccc(cc1SCC=O)O 62a_200015260668_100011380479 [1,1,0,0,0,0|1,0,0]=3 2369 B12R1.374 Cc1ccc(cc1SCCO)O 62a_100000211926_100011380479 [1,1,0,0,0,0|1,0,1]=4 2370 B12R1.374 Cc1ccc(cc1SCCO)O 62a_100011380479_100000211926 [1,1,0,0,0,0|1,0,1]=4 2371 B12R1.374 Cc1cnc(c(c1)SCC=O)O 62a_100000719714_200015260668 [1,1,0,0,0,0|2,0,0]=4 2372 B12R1.374 Cc1cnc(c(c1)SCC=O)O 62a_200015260668_100000719714 [1,1,0,0,0,0|2,0,0]=4 2373 B12R1.374 Cc1cnc(cc1SCC=O)O 62a_100009831917_200015260668 [1,1,0,0,0,0|2,0,0]=4 2374 B12R1.374 Cc1cnc(cc1SCC=O)O 62a_200015260668_100009831917 [1,1,0,0,0,0|2,0,0]=4 2375 B12R1.374 Cc1ncc(cc1SCC=O)O 62a_100009819603_200015260668 [1,1,0,0,0,0|2,0,0]=4 2376 B12R1.374 Cc1ncc(cc1SCC=O)O 62a_200015260668_100009819603 [1,1,0,0,0,0|2,0,0]=4 2377 B12R1.374 N#CCSc1cc(ccc1O)O 62a_100011215382_100009813629 [1,1,0,0,0,0|1,0,1]=4 2378 B12R1.374 Nc1ccc(c(c1)OCC=O)Cl 34a_100011934209_200009817547 [1,1,0,0,0,0|2,0,0]=4 2379 B12R1.374 Nc1ccc(c(c1)OCC=O)F 34a_100012017398_200009817547 [1,1,0,0,0,0|2,0,0]=4 2380 B12R1.374 Nc1ccc(c(c1)OCC=O)F 7a_100012017398_200015260668 [1,1,0,0,0,0|2,0,0]=4 2381 B12R1.374 Nc1ccc(c(c1)OCC=O)N 34a_100025717382_200009817547 [1,1,0,0,0,0|2,0,0]=4 2382 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_100000750459_200015260668 [1,1,0,0,0,0|2,0,0]=4 2383 B12R1.374 Nc1ccc(c(c1)SCC=O)Br 62a_200015260668_100000750459 [1,1,0,0,0,0|2,0,0]=4 2384 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_100012360549_200015260668 [1,1,0,0,0,0|2,0,0]=4 2385 B12R1.374 Nc1ccc(c(c1)SCC=O)Cl 62a_200015260668_100012360549 [1,1,0,0,0,0|2,0,0]=4 2386 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_100000760356_200015260668 [1,1,0,0,0,0|2,0,0]=4 2387 B12R1.374 Nc1ccc(c(c1)SCC=O)F 62a_200015260668_100000760356 [1,1,0,0,0,0|2,0,0]=4 2388 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_100011534242_200015260668 [1,1,0,0,0,0|2,0,0]=4 2389 B12R1.374 Nc1ccc(c(c1)SCC=O)N 62a_200015260668_100011534242 [1,1,0,0,0,0|2,0,0]=4 2390 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [1,1,0,0,0,0|1,0,0]=3 2391 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [1,1,0,0,0,0|1,0,0]=3 2392 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100000211926_100011534360 [1,1,0,0,0,0|1,0,1]=4 2393 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100011534360_100000211926 [1,1,0,0,0,0|1,0,1]=4 2394 B12R1.374 Nc1ccc(cc1OCC=O)Br 34a_100000739049_200009817547 [1,1,0,0,0,0|2,0,0]=4 2395 B12R1.374 Nc1ccc(cc1OCC=O)Br 7a_100000739049_200015260668 [1,1,0,0,0,0|2,0,0]=4 2396 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [1,1,0,0,0,0|2,0,0]=4 2397 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [1,1,0,0,0,0|2,0,0]=4 2398 B12R1.374 Nc1ccc(cc1OCC=O)F 34a_100000753323_200009817547 [1,1,0,0,0,0|2,0,0]=4 2399 B12R1.374 Nc1ccc(cc1OCC=O)F 7a_100000753323_200015260668 [1,1,0,0,0,0|2,0,0]=4 2400 B12R1.374 Nc1ccc(cc1OCC=O)I 34a_100000057187_200009817547 [1,1,0,0,0,0|2,0,0]=4 2401 B12R1.374 Nc1ccc(cc1OCC=O)I 7a_100000057187_200015260668 [1,1,0,0,0,0|2,0,0]=4 2402 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_100000187925_200015260668 [1,1,0,0,0,0|2,0,0]=4 2403 B12R1.374 Nc1ccc(cc1SCC=O)Br 62a_200015260668_100000187925 [1,1,0,0,0,0|2,0,0]=4 2404 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_100000761889_200015260668 [1,1,0,0,0,0|2,0,0]=4 2405 B12R1.374 Nc1ccc(cc1SCC=O)Cl 62a_200015260668_100000761889 [1,1,0,0,0,0|2,0,0]=4 2406 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_100000760547_200015260668 [1,1,0,0,0,0|2,0,0]=4 2407 B12R1.374 Nc1ccc(cc1SCC=O)F 62a_200015260668_100000760547 [1,1,0,0,0,0|2,0,0]=4 2408 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_100012001276_200015260668 [1,1,0,0,0,0|1,0,0]=3 2409 B12R1.374 Nc1ccc(cc1SCC=O)O 62a_200015260668_100012001276 [1,1,0,0,0,0|1,0,0]=3 2410 B12R1.374 Nc1ccc(cc1SCCO)O 62a_100000211926_100012001276 [1,1,0,0,0,0|1,0,1]=4 2411 B12R1.374 Nc1ccc(cc1SCCO)O 62a_100012001276_100000211926 [1,1,0,0,0,0|1,0,1]=4 2412 B12R1.374 O=CCNc1cc(ccc1Br)Br 34a_100000737762_200009817547 [1,1,0,0,0,0|2,0,0]=4 2413 B12R1.374 O=CCNc1cc(ccc1Br)Cl 34a_100000687073_200009817547 [1,1,0,0,0,0|2,0,0]=4 2414 B12R1.374 O=CCNc1cc(ccc1Br)F 34a_100000687223_200009817547 [1,1,0,0,0,0|2,0,0]=4 2415 B12R1.374 O=CCNc1cc(ccc1Br)O 34a_100011999798_200009817547 [1,1,0,0,0,0|1,0,0]=3 2416 B12R1.374 O=CCNc1cc(ccc1Cl)Br 34a_100000750497_200009817547 [1,1,0,0,0,0|2,0,0]=4 2417 B12R1.374 O=CCNc1cc(ccc1Cl)Cl 34a_100000184485_200009817547 [1,1,0,0,0,0|2,0,0]=4 2418 B12R1.374 O=CCNc1cc(ccc1Cl)F 34a_100000751338_200009817547 [1,1,0,0,0,0|2,0,0]=4 2419 B12R1.374 O=CCNc1cc(ccc1Cl)I 34a_200000761891_200009817547 [1,1,0,0,0,0|2,0,0]=4 2420 B12R1.374 O=CCNc1cc(ccc1Cl)O 34a_100011934297_200009817547 [1,1,0,0,0,0|1,0,0]=3 2421 B12R1.374 O=CCNc1cc(ccc1F)Br 34a_100000740924_200009817547 [1,1,0,0,0,0|2,0,0]=4 2422 B12R1.374 O=CCNc1cc(ccc1F)Cl 34a_100000212115_200009817547 [1,1,0,0,0,0|2,0,0]=4 2423 B12R1.374 O=CCNc1cc(ccc1F)F 34a_100000210742_200009817547 [1,1,0,0,0,0|2,0,0]=4 2424 B12R1.374 O=CCNc1cc(ccc1F)I 34a_100011464823_200009817547 [1,1,0,0,0,0|2,0,0]=4 2425 B12R1.374 O=CCNc1cc(ccc1F)O 34a_100012017239_200009817547 [1,1,0,0,0,0|1,0,0]=3 2426 B12R1.374 O=CCNc1cc(ccc1I)Br 34a_100000743836_200009817547 [1,1,0,0,0,0|2,0,0]=4 2427 B12R1.374 O=CCNc1cc(ccc1I)Cl 34a_100000761886_200009817547 [1,1,0,0,0,0|2,0,0]=4 2428 B12R1.374 O=CCNc1cc(ccc1I)F 34a_100011218093_200009817547 [1,1,0,0,0,0|2,0,0]=4 2429 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [1,1,0,0,0,0|1,0,0]=3 2430 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [1,1,0,0,0,0|1,0,0]=3 2431 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [1,1,0,0,0,0|1,0,0]=3 2432 B12R1.374 O=CCOc1cc(ccc1Br)Br 34a_100011220040_200009817547 [1,1,0,0,0,0|2,0,0]=4 2433 B12R1.374 O=CCOc1cc(ccc1Br)Br 7a_100011220040_200015260668 [1,1,0,0,0,0|2,0,0]=4 2434 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [1,1,0,0,0,0|2,0,0]=4 2435 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [1,1,0,0,0,0|2,0,0]=4 2436 B12R1.374 O=CCOc1cc(ccc1Br)F 34a_100000690578_200009817547 [1,1,0,0,0,0|2,0,0]=4 2437 B12R1.374 O=CCOc1cc(ccc1Br)F 7a_100000690578_200015260668 [1,1,0,0,0,0|2,0,0]=4 2438 B12R1.374 O=CCOc1cc(ccc1Br)I 34a_100012356990_200009817547 [1,1,0,0,0,0|2,0,0]=4 2439 B12R1.374 O=CCOc1cc(ccc1Br)I 7a_100012356990_200015260668 [1,1,0,0,0,0|2,0,0]=4 2440 B12R1.374 O=CCOc1cc(ccc1Cl)Br 34a_100000738945_200009817547 [1,1,0,0,0,0|2,0,0]=4 2441 B12R1.374 O=CCOc1cc(ccc1Cl)Br 7a_100000738945_200015260668 [1,1,0,0,0,0|2,0,0]=4 2442 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [1,1,0,0,0,0|2,0,0]=4 2443 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [1,1,0,0,0,0|2,0,0]=4 2444 B12R1.374 O=CCOc1cc(ccc1Cl)F 34a_100000692107_200009817547 [1,1,0,0,0,0|2,0,0]=4 2445 B12R1.374 O=CCOc1cc(ccc1Cl)F 7a_100000692107_200015260668 [1,1,0,0,0,0|2,0,0]=4 2446 B12R1.374 O=CCOc1cc(ccc1Cl)I 34a_100011356854_200009817547 [1,1,0,0,0,0|2,0,0]=4 2447 B12R1.374 O=CCOc1cc(ccc1Cl)I 7a_100011356854_200015260668 [1,1,0,0,0,0|2,0,0]=4 2448 B12R1.374 O=CCOc1cc(ccc1F)Br 34a_100000686035_200009817547 [1,1,0,0,0,0|2,0,0]=4 2449 B12R1.374 O=CCOc1cc(ccc1F)Br 7a_100000686035_200015260668 [1,1,0,0,0,0|2,0,0]=4 2450 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [1,1,0,0,0,0|2,0,0]=4 2451 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [1,1,0,0,0,0|2,0,0]=4 2452 B12R1.374 O=CCOc1cc(ccc1F)F 34a_100000752141_200009817547 [1,1,0,0,0,0|2,0,0]=4 2453 B12R1.374 O=CCOc1cc(ccc1F)F 7a_100000752141_200015260668 [1,1,0,0,0,0|2,0,0]=4 2454 B12R1.374 O=CCOc1cc(ccc1F)I 34a_100009958187_200009817547 [1,1,0,0,0,0|2,0,0]=4 2455 B12R1.374 O=CCOc1cc(ccc1F)I 7a_100009958187_200015260668 [1,1,0,0,0,0|2,0,0]=4 2456 B12R1.374 O=CCOc1cc(ccc1I)Br 34a_100012344904_200009817547 [1,1,0,0,0,0|2,0,0]=4 2457 B12R1.374 O=CCOc1cc(ccc1I)Br 7a_100012344904_200015260668 [1,1,0,0,0,0|2,0,0]=4 2458 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [1,1,0,0,0,0|2,0,0]=4 2459 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [1,1,0,0,0,0|2,0,0]=4 2460 B12R1.374 O=CCOc1cc(ccc1I)F 34a_100010084537_200009817547 [1,1,0,0,0,0|2,0,0]=4 2461 B12R1.374 O=CCOc1cc(ccc1I)F 7a_100010084537_200015260668 [1,1,0,0,0,0|2,0,0]=4 2462 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_100011483371_200015260668 [1,1,0,0,0,0|2,0,0]=4 2463 B12R1.374 O=CCSc1cc(ccc1Br)Br 62a_200015260668_100011483371 [1,1,0,0,0,0|2,0,0]=4 2464 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_100012339723_200015260668 [1,1,0,0,0,0|2,0,0]=4 2465 B12R1.374 O=CCSc1cc(ccc1Br)Cl 62a_200015260668_100012339723 [1,1,0,0,0,0|2,0,0]=4 2466 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_100011217576_200015260668 [1,1,0,0,0,0|2,0,0]=4 2467 B12R1.374 O=CCSc1cc(ccc1Br)F 62a_200015260668_100011217576 [1,1,0,0,0,0|2,0,0]=4 2468 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_100012339312_200015260668 [1,1,0,0,0,0|1,0,0]=3 2469 B12R1.374 O=CCSc1cc(ccc1Br)O 62a_200015260668_100012339312 [1,1,0,0,0,0|1,0,0]=3 2470 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_100011772130_200015260668 [1,1,0,0,0,0|2,0,0]=4 2471 B12R1.374 O=CCSc1cc(ccc1Cl)Br 62a_200015260668_100011772130 [1,1,0,0,0,0|2,0,0]=4 2472 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_100000707729_200015260668 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.374 O=CCSc1cc(ccc1Cl)Cl 62a_200015260668_100000707729 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_100011217299_200015260668 [1,1,0,0,0,0|2,0,0]=4 2475 B12R1.374 O=CCSc1cc(ccc1Cl)F 62a_200015260668_100011217299 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_100000049588_200015260668 [1,1,0,0,0,0|1,0,0]=3 2477 B12R1.374 O=CCSc1cc(ccc1Cl)O 62a_200015260668_100000049588 [1,1,0,0,0,0|1,0,0]=3 2478 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_100011217312_200015260668 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.374 O=CCSc1cc(ccc1F)Br 62a_200015260668_100011217312 [1,1,0,0,0,0|2,0,0]=4 2480 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_100011218116_200015260668 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.374 O=CCSc1cc(ccc1F)Cl 62a_200015260668_100011218116 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.374 O=CCSc1cc(ccc1F)F 62a_100011219198_200015260668 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.374 O=CCSc1cc(ccc1F)F 62a_200015260668_100011219198 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.374 O=CCSc1cc(ccc1F)O 62a_100000693481_200015260668 [1,1,0,0,0,0|1,0,0]=3 2485 B12R1.374 O=CCSc1cc(ccc1F)O 62a_200015260668_100000693481 [1,1,0,0,0,0|1,0,0]=3 2486 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [1,1,0,0,0,0|1,0,0]=3 2487 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [1,1,0,0,0,0|1,0,0]=3 2488 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [1,1,0,0,0,0|1,0,0]=3 2489 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [1,1,0,0,0,0|1,0,0]=3 2490 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [1,1,0,0,0,0|1,0,0]=3 2491 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [1,1,0,0,0,0|1,0,0]=3 2492 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [1,1,0,0,0,0|0,0,0]=2 2493 B12R1.374 O=CCSc1cc(cnc1F)O 62a_100009817267_200015260668 [1,1,0,0,0,0|2,0,0]=4 2494 B12R1.374 O=CCSc1cc(cnc1F)O 62a_200015260668_100009817267 [1,1,0,0,0,0|2,0,0]=4 2495 B12R1.374 O=CCSc1cc(cnc1O)Br 62a_100010197142_200015260668 [1,1,0,0,0,0|2,0,0]=4 2496 B12R1.374 O=CCSc1cc(cnc1O)Br 62a_200015260668_100010197142 [1,1,0,0,0,0|2,0,0]=4 2497 B12R1.374 O=CCSc1cc(cnc1O)Cl 62a_100010188700_200015260668 [1,1,0,0,0,0|2,0,0]=4 2498 B12R1.374 O=CCSc1cc(cnc1O)Cl 62a_200015260668_100010188700 [1,1,0,0,0,0|2,0,0]=4 2499 B12R1.374 O=CCSc1cc(ncc1O)Cl 62a_100000698892_200015260668 [1,1,0,0,0,0|2,0,0]=4 2500 B12R1.374 O=CCSc1cc(ncc1O)Cl 62a_200015260668_100000698892 [1,1,0,0,0,0|2,0,0]=4 2501 B12R1.374 O=CCSc1cc(nnc1O)O 62a_200015260668_100000759565 [1,1,0,0,0,0|2,0,0]=4 2502 B12R1.374 O=CCSc1nc(ccc1O)Br 62a_100010253912_200015260668 [1,1,0,0,0,0|2,0,0]=4 2503 B12R1.374 O=CCSc1nc(ccc1O)Br 62a_200015260668_100010253912 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.374 O=CCSc1nc(ccc1O)Cl 62a_200015260668_100000696390 [1,1,0,0,0,0|2,0,0]=4 2505 B12R1.374 O=CCSc1nc(ccc1O)F 62a_100010382442_200015260668 [1,1,0,0,0,0|2,0,0]=4 2506 B12R1.374 O=CCSc1nc(ccc1O)F 62a_200015260668_100010382442 [1,1,0,0,0,0|2,0,0]=4 2507 B12R1.374 OCCNc1cc(ccc1Br)O 34a_100011999798_100000211926 [1,1,0,0,0,0|1,0,1]=4 2508 B12R1.374 OCCNc1cc(ccc1Cl)O 34a_100011934297_100000211926 [1,1,0,0,0,0|1,0,1]=4 2509 B12R1.374 OCCNc1cc(ccc1F)O 34a_100012017239_100000211926 [1,1,0,0,0,0|1,0,1]=4 2510 B12R1.374 OCCNc1cc(ccc1O)Br 34a_100000752626_100000211926 [1,1,0,0,0,0|1,0,1]=4 2511 B12R1.374 OCCNc1cc(ccc1O)Cl 34a_100000210500_100000211926 [1,1,0,0,0,0|1,0,1]=4 2512 B12R1.374 OCCNc1cc(ccc1O)F 34a_100000759472_100000211926 [1,1,0,0,0,0|1,0,1]=4 2513 B12R1.374 OCCSc1cc(ccc1Br)O 62a_100000211926_100012339312 [1,1,0,0,0,0|1,0,1]=4 2514 B12R1.374 OCCSc1cc(ccc1Br)O 62a_100012339312_100000211926 [1,1,0,0,0,0|1,0,1]=4 2515 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000049588_100000211926 [1,1,0,0,0,0|1,0,1]=4 2516 B12R1.374 OCCSc1cc(ccc1Cl)O 62a_100000211926_100000049588 [1,1,0,0,0,0|1,0,1]=4 2517 B12R1.374 OCCSc1cc(ccc1F)O 62a_100000211926_100000693481 [1,1,0,0,0,0|1,0,1]=4 2518 B12R1.374 OCCSc1cc(ccc1F)O 62a_100000693481_100000211926 [1,1,0,0,0,0|1,0,1]=4 2519 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100000211926_100012355227 [1,1,0,0,0,0|1,0,1]=4 2520 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100012355227_100000211926 [1,1,0,0,0,0|1,0,1]=4 2521 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100000211926_100011356953 [1,1,0,0,0,0|1,0,1]=4 2522 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100011356953_100000211926 [1,1,0,0,0,0|1,0,1]=4 2523 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211926_100000211999 [1,1,0,0,0,0|1,0,1]=4 2524 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211999_100000211926 [1,1,0,0,0,0|1,0,1]=4 2525 B12R1.374 OCCSc1cc(ccc1O)O 62a_100000211926_100009813629 [1,1,0,0,0,0|0,0,1]=3 2526 B12R1.374 Oc1ccc(c(c1)SCCF)O 62a_100011217306_100009813629 [1,1,0,0,0,0|1,0,1]=4 2527 B12R1.46 C=C(C)c1cc(ccc1CO)O 271570a_100000694244_100010146404 [0,1,0,0,1,0|2,0,0]=4 2528 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,1,0,0,1,0|2,0,0]=4 2529 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,1,0,0,1,0|2,0,0]=4 2530 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,1,0,0,1,0|2,0,0]=4 2531 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,1,0,0,1,0|2,0,0]=4 2532 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,1,0,0,1,0|2,0,0]=4 2533 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,1,0,0,1,0|2,0,0]=4 2534 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,1,0,0,1,0|2,0,0]=4 2535 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,1,0,0,1,0|2,0,0]=4 2536 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,1,0,0,1,0|2,0,0]=4 2537 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,1,0,0,1,0|2,0,0]=4 2538 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [0,1,0,0,1,0|2,0,0]=4 2539 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [0,1,0,0,1,0|1,0,1]=4 2540 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,1,0,0,1,0|2,0,0]=4 2541 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,1,0,0,1,0|2,0,0]=4 2542 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,1,0,0,1,0|2,0,0]=4 2543 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,1,0,0,1,0|2,0,0]=4 2544 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,1,0,0,1,0|2,0,0]=4 2545 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,1,0,0,1,0|2,0,0]=4 2546 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,1,0,0,1,0|2,0,0]=4 2547 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,1,0,0,1,0|2,0,0]=4 2548 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,1,0,0,1,0|2,0,0]=4 2549 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,1,0,0,1,0|2,0,0]=4 2550 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,1,0,0,1,0|2,0,0]=4 2551 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,1,0,0,1,0|2,0,0]=4 2552 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,1,0,0,1,0|2,0,0]=4 2553 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,1,0,0,1,0|2,0,0]=4 2554 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,1,0,0,1,0|1,0,0]=3 2555 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,1,0,0,1,0|1,0,0]=3 2556 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,1,0,0,1,0|2,0,0]=4 2557 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,1,0,0,1,0|2,0,0]=4 2558 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,1,0,0,1,0|2,0,0]=4 2559 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,1,0,0,1,0|2,0,0]=4 2560 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,1,0,0,1,0|2,0,0]=4 2561 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,1,0,0,1,0|2,0,0]=4 2562 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,1,0,0,1,0|2,0,0]=4 2563 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,1,0,0,1,0|2,0,0]=4 2564 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,1,0,0,1,0|2,0,0]=4 2565 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,1,0,0,1,0|2,0,0]=4 2566 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,1,0,0,1,0|2,0,0]=4 2567 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,1,0,0,1,0|2,0,0]=4 2568 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,1,0,0,1,0|2,0,0]=4 2569 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,1,0,0,1,0|2,0,0]=4 2570 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,1,0,0,1,0|2,0,0]=4 2571 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,1,0,0,1,0|1,0,0]=3 2572 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,1,0,0,1,0|2,0,0]=4 2573 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [0,1,0,0,1,0|1,1,0]=4 2574 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,1,0,0,1,0|2,0,0]=4 2575 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,1,0,0,1,0|2,0,0]=4 2576 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,1,0,0,1,0|2,0,0]=4 2577 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,1,0,0,1,0|2,0,0]=4 2578 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,1,0,0,1,0|2,0,0]=4 2579 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,1,0,0,1,0|2,0,0]=4 2580 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,1,0,0,1,0|2,0,0]=4 2581 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,1,0,0,1,0|2,0,0]=4 2582 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,1,0,0,1,0|2,0,0]=4 2583 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,1,0,0,1,0|2,0,0]=4 2584 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [0,1,0,0,1,0|1,1,0]=4 2585 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [0,1,0,0,1,0|1,0,1]=4 2586 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,1,0,0,1,0|2,0,0]=4 2587 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,1,0,0,1,0|2,0,0]=4 2588 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,1,0,0,1,0|2,0,0]=4 2589 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,1,0,0,1,0|2,0,0]=4 2590 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,1,0,0,1,0|2,0,0]=4 2591 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,1,0|1,0,0]=3 2592 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,1,0,0,1,0|2,0,0]=4 2593 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,1,0,0,1,0|2,0,0]=4 2594 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,1,0,0,1,0|2,0,0]=4 2595 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,1,0,0,1,0|2,0,0]=4 2596 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,1,0,0,1,0|2,0,0]=4 2597 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,1,0,0,1,0|1,0,0]=3 2598 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,1,0|2,0,0]=4 2599 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,1,0|2,0,0]=4 2600 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,1,0|2,0,0]=4 2601 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,1,0,0,1,0|2,0,0]=4 2602 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,1,0,0,1,0|2,0,0]=4 2603 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,1,0,0,1,0|2,0,0]=4 2604 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,1,0,0,1,0|2,0,0]=4 2605 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,1,0,0,1,0|2,0,0]=4 2606 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,1,0,0,1,0|2,0,0]=4 2607 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,1,0,0,1,0|2,0,0]=4 2608 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,1,0,0,1,0|2,0,0]=4 2609 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,1,0,0,1,0|2,0,0]=4 2610 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,1,0,0,1,0|2,0,0]=4 2611 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,1,0|2,0,0]=4 2612 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,1,0,0,1,0|2,0,0]=4 2613 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,1,0,0,1,0|2,0,0]=4 2614 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,0,0,1,0|2,0,0]=4 2615 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,1,0,0,1,0|2,0,0]=4 2616 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,1,0,0,1,0|2,0,0]=4 2617 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,1,0,0,1,0|2,0,0]=4 2618 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,1,0,0,1,0|2,0,0]=4 2619 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,1,0,0,1,0|2,0,0]=4 2620 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,1,0,0,1,0|2,0,0]=4 2621 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,1,0,0,1,0|2,0,0]=4 2622 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,1,0|1,0,0]=3 2623 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,1,0|2,0,0]=4 2624 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,1,0|2,0,0]=4 2625 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,1,0,0,1,0|1,0,1]=4 2626 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,1,0,0,1,0|2,0,0]=4 2627 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,1,0,0,1,0|2,0,0]=4 2628 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,1,0,0,1,0|2,0,0]=4 2629 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,1,0,0,1,0|2,0,0]=4 2630 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,1,0,0,1,0|2,0,0]=4 2631 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,1,0,0,1,0|2,0,0]=4 2632 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,1,0,0,1,0|2,0,0]=4 2633 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,1,0,0,1,0|2,0,0]=4 2634 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,1,0,0,1,0|2,0,0]=4 2635 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,1,0|1,0,0]=3 2636 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,1,0|1,0,0]=3 2637 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,1,0,0,1,0|1,0,0]=3 2638 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,1,0,0,1,0|2,0,0]=4 2639 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,1,0,0,1,0|2,0,0]=4 2640 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,1,0,0,1,0|2,0,0]=4 2641 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,1,0,0,1,0|2,0,0]=4 2642 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,1,0,0,1,0|2,0,0]=4 2643 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,1,0|1,0,0]=3 2644 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,1,0,0,1,0|1,1,0]=4 2645 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,1,0,0,1,0|2,0,0]=4 2646 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,1,0,0,1,0|2,0,0]=4 2647 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,1,0|1,0,0]=3 2648 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,1,0,0,1,0|1,1,0]=4 2649 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,1,0,0,1,0|2,0,0]=4 2650 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,1,0,0,1,0|2,0,0]=4 2651 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,1,0,0,1,0|2,0,0]=4 2652 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,1,0,0,1,0|2,0,0]=4 2653 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,1,0,0,1,0|2,0,0]=4 2654 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,1,0,0,1,0|2,0,0]=4 2655 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,1,0,0,1,0|2,0,0]=4 2656 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,1,0,0,1,0|2,0,0]=4 2657 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,1,0,0,1,0|2,0,0]=4 2658 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,1,0,0,1,0|2,0,0]=4 2659 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,1,0,0,1,0|2,0,0]=4 2660 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,1,0,0,1,0|2,0,0]=4 2661 B12R1.511 NC(=O)c1cc(cc(c1O)O)F 271570a_203496583355_200135271384 [0,1,0,0,1,0|2,0,0]=4 2662 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,1,0,0,1,0|2,0,0]=4 2663 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,1,0,0,1,0|2,0,0]=4 2664 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,1,0,0,1,0|2,0,0]=4 2665 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,1,0,0,1,0|2,0,0]=4 2666 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,1,0,0,1,0|2,0,0]=4 2667 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,1,0,0,1,0|2,0,0]=4 2668 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,1,0,0,1,0|2,0,0]=4 2669 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,1,0,0,1,0|2,0,0]=4 2670 B12R1.894 CC(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200000210301 [0,1,0,0,1,0|2,0,0]=4 2671 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2672 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,1,0,0,1,0|2,0,0]=4 2673 B12R1.894 OB(O)c1c(ccc(c1F)O)O 271570a_203496583355_200010254889 [0,1,0,0,1,0|1,0,1]=4 2674 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,1,0,0,1,0|2,0,0]=4 2675 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)O)F 1458a_100000068660_200025704644 [0,1,0,0,1,0|2,0,0]=4 2676 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2677 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,1,0,0,1,0|2,0,0]=4 2678 B14R1.820 C=CC(=O)NCc1cc(ccc1C)O 240690a_200009844824_200121576911 [0,1,0,0,0,1|2,0,0]=4 2679 B14R1.820 C=CC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_200121576911 [0,1,0,0,0,1|2,0,0]=4 2680 B14R1.820 C=CC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_200121576911 [0,1,0,0,0,1|2,0,0]=4 2681 B14R1.820 C=CC(O)CSc1cc(ccc1O)O 62a_100000730141_100009813629 [0,1,0,0,0,1|1,0,1]=4 2682 B14R1.820 CCC(=O)CSc1cc(ccc1Br)O 62a_100000747405_100012339312 [0,1,0,0,0,1|2,0,0]=4 2683 B14R1.820 CCC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000747405 [0,1,0,0,0,1|2,0,0]=4 2684 B14R1.820 CCC(=O)CSc1cc(ccc1C)O 62a_100000747405_100011380479 [0,1,0,0,0,1|2,0,0]=4 2685 B14R1.820 CCC(=O)CSc1cc(ccc1C)O 62a_100011380479_100000747405 [0,1,0,0,0,1|2,0,0]=4 2686 B14R1.820 CCC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000747405 [0,1,0,0,0,1|2,0,0]=4 2687 B14R1.820 CCC(=O)CSc1cc(ccc1Cl)O 62a_100000747405_100000049588 [0,1,0,0,0,1|2,0,0]=4 2688 B14R1.820 CCC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000747405 [0,1,0,0,0,1|2,0,0]=4 2689 B14R1.820 CCC(=O)CSc1cc(ccc1F)O 62a_100000747405_100000693481 [0,1,0,0,0,1|2,0,0]=4 2690 B14R1.820 CCC(=O)CSc1cc(ccc1N)O 62a_100000747405_100012001276 [0,1,0,0,0,1|2,0,0]=4 2691 B14R1.820 CCC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000747405 [0,1,0,0,0,1|2,0,0]=4 2692 B14R1.820 CCC(=O)CSc1cc(ccc1O)Br 62a_100000747405_100012355227 [0,1,0,0,0,1|2,0,0]=4 2693 B14R1.820 CCC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747405 [0,1,0,0,0,1|2,0,0]=4 2694 B14R1.820 CCC(=O)CSc1cc(ccc1O)C 62a_100000747405_100000765521 [0,1,0,0,0,1|2,0,0]=4 2695 B14R1.820 CCC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000747405 [0,1,0,0,0,1|2,0,0]=4 2696 B14R1.820 CCC(=O)CSc1cc(ccc1O)Cl 62a_100000747405_100011356953 [0,1,0,0,0,1|2,0,0]=4 2697 B14R1.820 CCC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747405 [0,1,0,0,0,1|2,0,0]=4 2698 B14R1.820 CCC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747405 [0,1,0,0,0,1|2,0,0]=4 2699 B14R1.820 CCC(=O)CSc1cc(ccc1O)F 62a_100000747405_100000211999 [0,1,0,0,0,1|2,0,0]=4 2700 B14R1.820 CCC(=O)CSc1cc(ccc1O)N 62a_100000747405_100011534360 [0,1,0,0,0,1|2,0,0]=4 2701 B14R1.820 CCC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747405 [0,1,0,0,0,1|2,0,0]=4 2702 B14R1.820 CCC(=O)CSc1cc(ccc1O)O 62a_100000747405_100009813629 [0,1,0,0,0,1|1,0,0]=3 2703 B14R1.820 CCC(=O)NCc1cc(ccc1C)O 240690a_200009844824_100000210414 [0,1,0,0,0,1|2,0,0]=4 2704 B14R1.820 CCC(=O)NCc1cc(ccc1C)O 527a_200009844824_100000210414 [0,1,0,0,0,1|2,0,0]=4 2705 B14R1.820 CCC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100000210414 [0,1,0,0,0,1|2,0,0]=4 2706 B14R1.820 CCC(=O)NCc1cc(ccc1O)Br 527a_100000730032_100000210414 [0,1,0,0,0,1|2,0,0]=4 2707 B14R1.820 CCC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100000210414 [0,1,0,0,0,1|2,0,0]=4 2708 B14R1.820 CCC(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100000210414 [0,1,0,0,0,1|2,0,0]=4 2709 B14R1.820 CCC(O)CSc1cc(ccc1O)O 62a_100011218378_100009813629 [0,1,0,0,0,1|1,0,1]=4 2710 B14R1.820 CNC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000183359 [0,1,0,0,0,1|2,0,0]=4 2711 B14R1.820 CNC(=O)CNc1cc(ccc1C)O 34a_100011216113_100000183359 [0,1,0,0,0,1|2,0,0]=4 2712 B14R1.820 CNC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000183359 [0,1,0,0,0,1|2,0,0]=4 2713 B14R1.820 CNC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000183359 [0,1,0,0,0,1|2,0,0]=4 2714 B14R1.820 CNC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000183359 [0,1,0,0,0,1|2,0,0]=4 2715 B14R1.820 CNC(=O)CNc1cc(ccc1O)C 34a_100011215204_100000183359 [0,1,0,0,0,1|2,0,0]=4 2716 B14R1.820 CNC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000183359 [0,1,0,0,0,1|2,0,0]=4 2717 B14R1.820 CNC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000183359 [0,1,0,0,0,1|2,0,0]=4 2718 B14R1.820 CNC(=O)CSc1cc(ccc1Br)O 62a_100000183359_100012339312 [0,1,0,0,0,1|2,0,0]=4 2719 B14R1.820 CNC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000183359 [0,1,0,0,0,1|2,0,0]=4 2720 B14R1.820 CNC(=O)CSc1cc(ccc1C)O 62a_100000183359_100011380479 [0,1,0,0,0,1|2,0,0]=4 2721 B14R1.820 CNC(=O)CSc1cc(ccc1C)O 62a_100011380479_100000183359 [0,1,0,0,0,1|2,0,0]=4 2722 B14R1.820 CNC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000183359 [0,1,0,0,0,1|2,0,0]=4 2723 B14R1.820 CNC(=O)CSc1cc(ccc1Cl)O 62a_100000183359_100000049588 [0,1,0,0,0,1|2,0,0]=4 2724 B14R1.820 CNC(=O)CSc1cc(ccc1F)O 62a_100000183359_100000693481 [0,1,0,0,0,1|2,0,0]=4 2725 B14R1.820 CNC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000183359 [0,1,0,0,0,1|2,0,0]=4 2726 B14R1.820 CNC(=O)CSc1cc(ccc1N)O 62a_100000183359_100012001276 [0,1,0,0,0,1|2,0,0]=4 2727 B14R1.820 CNC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000183359 [0,1,0,0,0,1|2,0,0]=4 2728 B14R1.820 CNC(=O)CSc1cc(ccc1O)Br 62a_100000183359_100012355227 [0,1,0,0,0,1|2,0,0]=4 2729 B14R1.820 CNC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000183359 [0,1,0,0,0,1|2,0,0]=4 2730 B14R1.820 CNC(=O)CSc1cc(ccc1O)C 62a_100000183359_100000765521 [0,1,0,0,0,1|2,0,0]=4 2731 B14R1.820 CNC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000183359 [0,1,0,0,0,1|2,0,0]=4 2732 B14R1.820 CNC(=O)CSc1cc(ccc1O)Cl 62a_100000183359_100011356953 [0,1,0,0,0,1|2,0,0]=4 2733 B14R1.820 CNC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000183359 [0,1,0,0,0,1|2,0,0]=4 2734 B14R1.820 CNC(=O)CSc1cc(ccc1O)F 62a_100000183359_100000211999 [0,1,0,0,0,1|2,0,0]=4 2735 B14R1.820 CNC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000183359 [0,1,0,0,0,1|2,0,0]=4 2736 B14R1.820 CNC(=O)CSc1cc(ccc1O)N 62a_100000183359_100011534360 [0,1,0,0,0,1|2,0,0]=4 2737 B14R1.820 CNC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000183359 [0,1,0,0,0,1|2,0,0]=4 2738 B14R1.820 CNC(=O)CSc1cc(ccc1O)O 62a_100000183359_100009813629 [0,1,0,0,0,1|1,0,0]=3 2739 B14R1.820 CNC(=O)NCc1cc(ccc1C)O 2708a_100102657272_200009844824 [0,1,0,0,0,1|2,0,0]=4 2740 B14R1.820 CNC(=O)NCc1cc(ccc1C)O 2708a_200009844824_106832991635 [0,1,0,0,0,1|2,0,0]=4 2741 B14R1.820 CNC(=O)NCc1cc(ccc1C)O 273464a_100102657272_200009844824 [0,1,0,0,0,1|2,0,0]=4 2742 B14R1.820 CNC(=O)NCc1cc(ccc1C)O 273464a_200009844824_100102657272 [0,1,0,0,0,1|2,0,0]=4 2743 B14R1.820 CNC(=O)NCc1cc(ccc1C)O 512a_106832991638_200009844824 [0,1,0,0,0,1|2,0,0]=4 2744 B14R1.820 CNC(=O)NCc1cc(ccc1C)O 512a_200009844824_100102657272 [0,1,0,0,0,1|2,0,0]=4 2745 B14R1.820 CNC(=O)NCc1cc(ccc1O)Br 2708a_100000730032_106832991635 [0,1,0,0,0,1|2,0,0]=4 2746 B14R1.820 CNC(=O)NCc1cc(ccc1O)Br 2708a_100102657272_100000730032 [0,1,0,0,0,1|2,0,0]=4 2747 B14R1.820 CNC(=O)NCc1cc(ccc1O)Br 273464a_100000730032_100102657272 [0,1,0,0,0,1|2,0,0]=4 2748 B14R1.820 CNC(=O)NCc1cc(ccc1O)Br 273464a_100102657272_100000730032 [0,1,0,0,0,1|2,0,0]=4 2749 B14R1.820 CNC(=O)NCc1cc(ccc1O)Br 512a_100000730032_100102657272 [0,1,0,0,0,1|2,0,0]=4 2750 B14R1.820 CNC(=O)NCc1cc(ccc1O)Br 512a_106832991638_100000730032 [0,1,0,0,0,1|2,0,0]=4 2751 B14R1.820 CNC(=O)NCc1cc(ccc1O)Cl 2708a_100000238540_106832991635 [0,1,0,0,0,1|2,0,0]=4 2752 B14R1.820 CNC(=O)NCc1cc(ccc1O)Cl 2708a_100102657272_100000238540 [0,1,0,0,0,1|2,0,0]=4 2753 B14R1.820 CNC(=O)NCc1cc(ccc1O)Cl 273464a_100000238540_100102657272 [0,1,0,0,0,1|2,0,0]=4 2754 B14R1.820 CNC(=O)NCc1cc(ccc1O)Cl 273464a_100102657272_100000238540 [0,1,0,0,0,1|2,0,0]=4 2755 B14R1.820 COC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000747449 [0,1,0,0,0,1|2,0,0]=4 2756 B14R1.820 COC(=O)CNc1cc(ccc1Br)C 34a_100000745044_100000747449 [0,1,0,0,0,1|2,0,0]=4 2757 B14R1.820 COC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000747449 [0,1,0,0,0,1|2,0,0]=4 2758 B14R1.820 COC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000747449 [0,1,0,0,0,1|2,0,0]=4 2759 B14R1.820 COC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000747449 [0,1,0,0,0,1|1,0,0]=3 2760 B14R1.820 COC(=O)CNc1cc(ccc1C)Br 34a_100000741167_100000747449 [0,1,0,0,0,1|2,0,0]=4 2761 B14R1.820 COC(=O)CNc1cc(ccc1C)Br 7a_100000741167_100000747449 [0,1,0,0,0,1|2,0,0]=4 2762 B14R1.820 COC(=O)CNc1cc(ccc1C)C 2230a_100000185781_100000747449 [0,1,0,0,0,1|2,0,0]=4 2763 B14R1.820 COC(=O)CNc1cc(ccc1C)C 34a_100000185781_100000747449 [0,1,0,0,0,1|2,0,0]=4 2764 B14R1.820 COC(=O)CNc1cc(ccc1C)C 7a_100000185781_100000747449 [0,1,0,0,0,1|2,0,0]=4 2765 B14R1.820 COC(=O)CNc1cc(ccc1C)Cl 34a_100000211374_100000747449 [0,1,0,0,0,1|2,0,0]=4 2766 B14R1.820 COC(=O)CNc1cc(ccc1C)Cl 7a_100000211374_100000747449 [0,1,0,0,0,1|2,0,0]=4 2767 B14R1.820 COC(=O)CNc1cc(ccc1C)F 34a_100000211107_100000747449 [0,1,0,0,0,1|2,0,0]=4 2768 B14R1.820 COC(=O)CNc1cc(ccc1C)F 7a_100000211107_100000747449 [0,1,0,0,0,1|2,0,0]=4 2769 B14R1.820 COC(=O)CNc1cc(ccc1C)I 7a_100000761890_100000747449 [0,1,0,0,0,1|2,0,0]=4 2770 B14R1.820 COC(=O)CNc1cc(ccc1C)O 34a_100011216113_100000747449 [0,1,0,0,0,1|1,0,0]=3 2771 B14R1.820 COC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000747449 [0,1,0,0,0,1|2,0,0]=4 2772 B14R1.820 COC(=O)CNc1cc(ccc1Cl)C 34a_100011215360_100000747449 [0,1,0,0,0,1|2,0,0]=4 2773 B14R1.820 COC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000747449 [0,1,0,0,0,1|2,0,0]=4 2774 B14R1.820 COC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000747449 [0,1,0,0,0,1|2,0,0]=4 2775 B14R1.820 COC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000747449 [0,1,0,0,0,1|2,0,0]=4 2776 B14R1.820 COC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000747449 [0,1,0,0,0,1|1,0,0]=3 2777 B14R1.820 COC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000747449 [0,1,0,0,0,1|2,0,0]=4 2778 B14R1.820 COC(=O)CNc1cc(ccc1F)C 34a_100000211285_100000747449 [0,1,0,0,0,1|2,0,0]=4 2779 B14R1.820 COC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000747449 [0,1,0,0,0,1|2,0,0]=4 2780 B14R1.820 COC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000747449 [0,1,0,0,0,1|2,0,0]=4 2781 B14R1.820 COC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000747449 [0,1,0,0,0,1|2,0,0]=4 2782 B14R1.820 COC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000747449 [0,1,0,0,0,1|1,0,0]=3 2783 B14R1.820 COC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000747449 [0,1,0,0,0,1|2,0,0]=4 2784 B14R1.820 COC(=O)CNc1cc(ccc1I)C 34a_100011216686_100000747449 [0,1,0,0,0,1|2,0,0]=4 2785 B14R1.820 COC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000747449 [0,1,0,0,0,1|2,0,0]=4 2786 B14R1.820 COC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000747449 [0,1,0,0,0,1|2,0,0]=4 2787 B14R1.820 COC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000747449 [0,1,0,0,0,1|1,0,0]=3 2788 B14R1.820 COC(=O)CNc1cc(ccc1O)C 34a_100011215204_100000747449 [0,1,0,0,0,1|1,0,0]=3 2789 B14R1.820 COC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000747449 [0,1,0,0,0,1|1,0,0]=3 2790 B14R1.820 COC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000747449 [0,1,0,0,0,1|1,0,0]=3 2791 B14R1.820 COC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000747449 [0,1,0,0,0,1|2,0,0]=4 2792 B14R1.820 COC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000747449 [0,1,0,0,0,1|2,0,0]=4 2793 B14R1.820 COC(=O)COc1cc(ccc1Br)C 34a_100012002257_100000747449 [0,1,0,0,0,1|2,0,0]=4 2794 B14R1.820 COC(=O)COc1cc(ccc1Br)C 7a_100012002257_100000747449 [0,1,0,0,0,1|2,0,0]=4 2795 B14R1.820 COC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000747449 [0,1,0,0,0,1|2,0,0]=4 2796 B14R1.820 COC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000747449 [0,1,0,0,0,1|2,0,0]=4 2797 B14R1.820 COC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000747449 [0,1,0,0,0,1|2,0,0]=4 2798 B14R1.820 COC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000747449 [0,1,0,0,0,1|2,0,0]=4 2799 B14R1.820 COC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000747449 [0,1,0,0,0,1|2,0,0]=4 2800 B14R1.820 COC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000747449 [0,1,0,0,0,1|2,0,0]=4 2801 B14R1.820 COC(=O)COc1cc(ccc1C)Br 34a_100000685420_100000747449 [0,1,0,0,0,1|2,0,0]=4 2802 B14R1.820 COC(=O)COc1cc(ccc1C)Br 7a_100000685420_100000747449 [0,1,0,0,0,1|2,0,0]=4 2803 B14R1.820 COC(=O)COc1cc(ccc1C)C 34a_100000210931_100000747449 [0,1,0,0,0,1|2,0,0]=4 2804 B14R1.820 COC(=O)COc1cc(ccc1C)C 7a_100000210931_100000747449 [0,1,0,0,0,1|2,0,0]=4 2805 B14R1.820 COC(=O)COc1cc(ccc1C)Cl 34a_100000756515_100000747449 [0,1,0,0,0,1|2,0,0]=4 2806 B14R1.820 COC(=O)COc1cc(ccc1C)Cl 7a_100000756515_100000747449 [0,1,0,0,0,1|2,0,0]=4 2807 B14R1.820 COC(=O)COc1cc(ccc1C)F 34a_100000690566_100000747449 [0,1,0,0,0,1|2,0,0]=4 2808 B14R1.820 COC(=O)COc1cc(ccc1C)F 7a_100000690566_100000747449 [0,1,0,0,0,1|2,0,0]=4 2809 B14R1.820 COC(=O)COc1cc(ccc1C)I 7a_100000766334_100000747449 [0,1,0,0,0,1|2,0,0]=4 2810 B14R1.820 COC(=O)COc1cc(ccc1C)N 34a_100000759471_100000747449 [0,1,0,0,0,1|2,0,0]=4 2811 B14R1.820 COC(=O)COc1cc(ccc1C)N 7a_100000759471_100000747449 [0,1,0,0,0,1|2,0,0]=4 2812 B14R1.820 COC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000747449 [0,1,0,0,0,1|2,0,0]=4 2813 B14R1.820 COC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000747449 [0,1,0,0,0,1|2,0,0]=4 2814 B14R1.820 COC(=O)COc1cc(ccc1Cl)C 34a_100000211493_100000747449 [0,1,0,0,0,1|2,0,0]=4 2815 B14R1.820 COC(=O)COc1cc(ccc1Cl)C 7a_100000211493_100000747449 [0,1,0,0,0,1|2,0,0]=4 2816 B14R1.820 COC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000747449 [0,1,0,0,0,1|2,0,0]=4 2817 B14R1.820 COC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000747449 [0,1,0,0,0,1|2,0,0]=4 2818 B14R1.820 COC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000747449 [0,1,0,0,0,1|2,0,0]=4 2819 B14R1.820 COC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000747449 [0,1,0,0,0,1|2,0,0]=4 2820 B14R1.820 COC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000747449 [0,1,0,0,0,1|2,0,0]=4 2821 B14R1.820 COC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000747449 [0,1,0,0,0,1|2,0,0]=4 2822 B14R1.820 COC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000747449 [0,1,0,0,0,1|2,0,0]=4 2823 B14R1.820 COC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000747449 [0,1,0,0,0,1|2,0,0]=4 2824 B14R1.820 COC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000747449 [0,1,0,0,0,1|2,0,0]=4 2825 B14R1.820 COC(=O)COc1cc(ccc1F)C 34a_100000759540_100000747449 [0,1,0,0,0,1|2,0,0]=4 2826 B14R1.820 COC(=O)COc1cc(ccc1F)C 7a_100000759540_100000747449 [0,1,0,0,0,1|2,0,0]=4 2827 B14R1.820 COC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000747449 [0,1,0,0,0,1|2,0,0]=4 2828 B14R1.820 COC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000747449 [0,1,0,0,0,1|2,0,0]=4 2829 B14R1.820 COC(=O)COc1cc(ccc1F)F 34a_100000752141_100000747449 [0,1,0,0,0,1|2,0,0]=4 2830 B14R1.820 COC(=O)COc1cc(ccc1F)F 7a_100000752141_100000747449 [0,1,0,0,0,1|2,0,0]=4 2831 B14R1.820 COC(=O)COc1cc(ccc1F)I 34a_100009958187_100000747449 [0,1,0,0,0,1|2,0,0]=4 2832 B14R1.820 COC(=O)COc1cc(ccc1F)I 7a_100009958187_100000747449 [0,1,0,0,0,1|2,0,0]=4 2833 B14R1.820 COC(=O)COc1cc(ccc1F)N 34a_100012017398_100000747449 [0,1,0,0,0,1|2,0,0]=4 2834 B14R1.820 COC(=O)COc1cc(ccc1F)N 7a_100012017398_100000747449 [0,1,0,0,0,1|2,0,0]=4 2835 B14R1.820 COC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000747449 [0,1,0,0,0,1|2,0,0]=4 2836 B14R1.820 COC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000747449 [0,1,0,0,0,1|2,0,0]=4 2837 B14R1.820 COC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000747449 [0,1,0,0,0,1|2,0,0]=4 2838 B14R1.820 COC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000747449 [0,1,0,0,0,1|2,0,0]=4 2839 B14R1.820 COC(=O)COc1cc(ccc1I)F 34a_100010084537_100000747449 [0,1,0,0,0,1|2,0,0]=4 2840 B14R1.820 COC(=O)COc1cc(ccc1I)F 7a_100010084537_100000747449 [0,1,0,0,0,1|2,0,0]=4 2841 B14R1.820 COC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000747449 [0,1,0,0,0,1|2,0,0]=4 2842 B14R1.820 COC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000747449 [0,1,0,0,0,1|2,0,0]=4 2843 B14R1.820 COC(=O)COc1cc(ccc1N)C 34a_100000211527_100000747449 [0,1,0,0,0,1|2,0,0]=4 2844 B14R1.820 COC(=O)COc1cc(ccc1N)C 7a_100000211527_100000747449 [0,1,0,0,0,1|2,0,0]=4 2845 B14R1.820 COC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000747449 [0,1,0,0,0,1|2,0,0]=4 2846 B14R1.820 COC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000747449 [0,1,0,0,0,1|2,0,0]=4 2847 B14R1.820 COC(=O)COc1cc(ccc1N)F 34a_100000753323_100000747449 [0,1,0,0,0,1|2,0,0]=4 2848 B14R1.820 COC(=O)COc1cc(ccc1N)F 7a_100000753323_100000747449 [0,1,0,0,0,1|2,0,0]=4 2849 B14R1.820 COC(=O)COc1cc(ccc1N)I 34a_100000057187_100000747449 [0,1,0,0,0,1|2,0,0]=4 2850 B14R1.820 COC(=O)COc1cc(ccc1N)I 7a_100000057187_100000747449 [0,1,0,0,0,1|2,0,0]=4 2851 B14R1.820 COC(=O)COc1cc(ccc1N)N 34a_100025717382_100000747449 [0,1,0,0,0,1|2,0,0]=4 2852 B14R1.820 COC(=O)COc1cc(ccc1O)F 271570a_203496583355_200012936119 [0,1,0,0,0,1|1,0,0]=3 2853 B14R1.820 COC(=O)CSc1cc(ccc1Br)Br 62a_100000747449_100011483371 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.820 COC(=O)CSc1cc(ccc1Br)Br 62a_100011483371_100000747449 [0,1,0,0,0,1|2,0,0]=4 2855 B14R1.820 COC(=O)CSc1cc(ccc1Br)C 62a_100000747449_100012353751 [0,1,0,0,0,1|2,0,0]=4 2856 B14R1.820 COC(=O)CSc1cc(ccc1Br)C 62a_100012353751_100000747449 [0,1,0,0,0,1|2,0,0]=4 2857 B14R1.820 COC(=O)CSc1cc(ccc1Br)Cl 62a_100000747449_100012339723 [0,1,0,0,0,1|2,0,0]=4 2858 B14R1.820 COC(=O)CSc1cc(ccc1Br)Cl 62a_100012339723_100000747449 [0,1,0,0,0,1|2,0,0]=4 2859 B14R1.820 COC(=O)CSc1cc(ccc1Br)F 62a_100000747449_100011217576 [0,1,0,0,0,1|2,0,0]=4 2860 B14R1.820 COC(=O)CSc1cc(ccc1Br)F 62a_100011217576_100000747449 [0,1,0,0,0,1|2,0,0]=4 2861 B14R1.820 COC(=O)CSc1cc(ccc1Br)N 62a_100000747449_100000750459 [0,1,0,0,0,1|2,0,0]=4 2862 B14R1.820 COC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000747449 [0,1,0,0,0,1|2,0,0]=4 2863 B14R1.820 COC(=O)CSc1cc(ccc1Br)O 62a_100000747449_100012339312 [0,1,0,0,0,1|1,0,0]=3 2864 B14R1.820 COC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000747449 [0,1,0,0,0,1|1,0,0]=3 2865 B14R1.820 COC(=O)CSc1cc(ccc1C)Br 62a_100000747449_100011344865 [0,1,0,0,0,1|2,0,0]=4 2866 B14R1.820 COC(=O)CSc1cc(ccc1C)Br 62a_100011344865_100000747449 [0,1,0,0,0,1|2,0,0]=4 2867 B14R1.820 COC(=O)CSc1cc(ccc1C)C 62a_100000210833_100000747449 [0,1,0,0,0,1|2,0,0]=4 2868 B14R1.820 COC(=O)CSc1cc(ccc1C)C 62a_100000747449_100000210833 [0,1,0,0,0,1|2,0,0]=4 2869 B14R1.820 COC(=O)CSc1cc(ccc1C)Cl 62a_100000747449_100011263213 [0,1,0,0,0,1|2,0,0]=4 2870 B14R1.820 COC(=O)CSc1cc(ccc1C)Cl 62a_100011263213_100000747449 [0,1,0,0,0,1|2,0,0]=4 2871 B14R1.820 COC(=O)CSc1cc(ccc1C)F 62a_100000747449_100011218078 [0,1,0,0,0,1|2,0,0]=4 2872 B14R1.820 COC(=O)CSc1cc(ccc1C)F 62a_100011218078_100000747449 [0,1,0,0,0,1|2,0,0]=4 2873 B14R1.820 COC(=O)CSc1cc(ccc1C)N 62a_100000736455_100000747449 [0,1,0,0,0,1|2,0,0]=4 2874 B14R1.820 COC(=O)CSc1cc(ccc1C)N 62a_100000747449_100000736455 [0,1,0,0,0,1|2,0,0]=4 2875 B14R1.820 COC(=O)CSc1cc(ccc1C)O 62a_100000747449_100011380479 [0,1,0,0,0,1|1,0,0]=3 2876 B14R1.820 COC(=O)CSc1cc(ccc1C)O 62a_100011380479_100000747449 [0,1,0,0,0,1|1,0,0]=3 2877 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Br 62a_100000747449_100011772130 [0,1,0,0,0,1|2,0,0]=4 2878 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Br 62a_100011772130_100000747449 [0,1,0,0,0,1|2,0,0]=4 2879 B14R1.820 COC(=O)CSc1cc(ccc1Cl)C 62a_100000747449_100012356289 [0,1,0,0,0,1|2,0,0]=4 2880 B14R1.820 COC(=O)CSc1cc(ccc1Cl)C 62a_100012356289_100000747449 [0,1,0,0,0,1|2,0,0]=4 2881 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000747449 [0,1,0,0,0,1|2,0,0]=4 2882 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Cl 62a_100000747449_100000707729 [0,1,0,0,0,1|2,0,0]=4 2883 B14R1.820 COC(=O)CSc1cc(ccc1Cl)F 62a_100000747449_100011217299 [0,1,0,0,0,1|2,0,0]=4 2884 B14R1.820 COC(=O)CSc1cc(ccc1Cl)F 62a_100011217299_100000747449 [0,1,0,0,0,1|2,0,0]=4 2885 B14R1.820 COC(=O)CSc1cc(ccc1Cl)N 62a_100000747449_100012360549 [0,1,0,0,0,1|2,0,0]=4 2886 B14R1.820 COC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000747449 [0,1,0,0,0,1|2,0,0]=4 2887 B14R1.820 COC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000747449 [0,1,0,0,0,1|1,0,0]=3 2888 B14R1.820 COC(=O)CSc1cc(ccc1Cl)O 62a_100000747449_100000049588 [0,1,0,0,0,1|1,0,0]=3 2889 B14R1.820 COC(=O)CSc1cc(ccc1F)Br 62a_100000747449_100011217312 [0,1,0,0,0,1|2,0,0]=4 2890 B14R1.820 COC(=O)CSc1cc(ccc1F)Br 62a_100011217312_100000747449 [0,1,0,0,0,1|2,0,0]=4 2891 B14R1.820 COC(=O)CSc1cc(ccc1F)C 62a_100000736223_100000747449 [0,1,0,0,0,1|2,0,0]=4 2892 B14R1.820 COC(=O)CSc1cc(ccc1F)C 62a_100000747449_100000736223 [0,1,0,0,0,1|2,0,0]=4 2893 B14R1.820 COC(=O)CSc1cc(ccc1F)Cl 62a_100000747449_100011218116 [0,1,0,0,0,1|2,0,0]=4 2894 B14R1.820 COC(=O)CSc1cc(ccc1F)Cl 62a_100011218116_100000747449 [0,1,0,0,0,1|2,0,0]=4 2895 B14R1.820 COC(=O)CSc1cc(ccc1F)F 62a_100000747449_100011219198 [0,1,0,0,0,1|2,0,0]=4 2896 B14R1.820 COC(=O)CSc1cc(ccc1F)F 62a_100011219198_100000747449 [0,1,0,0,0,1|2,0,0]=4 2897 B14R1.820 COC(=O)CSc1cc(ccc1F)N 62a_100000747449_100000760356 [0,1,0,0,0,1|2,0,0]=4 2898 B14R1.820 COC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000747449 [0,1,0,0,0,1|2,0,0]=4 2899 B14R1.820 COC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000747449 [0,1,0,0,0,1|1,0,0]=3 2900 B14R1.820 COC(=O)CSc1cc(ccc1F)O 62a_100000747449_100000693481 [0,1,0,0,0,1|1,0,0]=3 2901 B14R1.820 COC(=O)CSc1cc(ccc1N)Br 62a_100000187925_100000747449 [0,1,0,0,0,1|2,0,0]=4 2902 B14R1.820 COC(=O)CSc1cc(ccc1N)Br 62a_100000747449_100000187925 [0,1,0,0,0,1|2,0,0]=4 2903 B14R1.820 COC(=O)CSc1cc(ccc1N)C 62a_100000747449_100011356834 [0,1,0,0,0,1|2,0,0]=4 2904 B14R1.820 COC(=O)CSc1cc(ccc1N)C 62a_100011356834_100000747449 [0,1,0,0,0,1|2,0,0]=4 2905 B14R1.820 COC(=O)CSc1cc(ccc1N)Cl 62a_100000747449_100000761889 [0,1,0,0,0,1|2,0,0]=4 2906 B14R1.820 COC(=O)CSc1cc(ccc1N)Cl 62a_100000761889_100000747449 [0,1,0,0,0,1|2,0,0]=4 2907 B14R1.820 COC(=O)CSc1cc(ccc1N)F 62a_100000747449_100000760547 [0,1,0,0,0,1|2,0,0]=4 2908 B14R1.820 COC(=O)CSc1cc(ccc1N)F 62a_100000760547_100000747449 [0,1,0,0,0,1|2,0,0]=4 2909 B14R1.820 COC(=O)CSc1cc(ccc1N)N 62a_100000747449_100011534242 [0,1,0,0,0,1|2,0,0]=4 2910 B14R1.820 COC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000747449 [0,1,0,0,0,1|2,0,0]=4 2911 B14R1.820 COC(=O)CSc1cc(ccc1N)O 62a_100000747449_100012001276 [0,1,0,0,0,1|1,0,0]=3 2912 B14R1.820 COC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000747449 [0,1,0,0,0,1|1,0,0]=3 2913 B14R1.820 COC(=O)CSc1cc(ccc1O)Br 62a_100000747449_100012355227 [0,1,0,0,0,1|1,0,0]=3 2914 B14R1.820 COC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747449 [0,1,0,0,0,1|1,0,0]=3 2915 B14R1.820 COC(=O)CSc1cc(ccc1O)C 62a_100000747449_100000765521 [0,1,0,0,0,1|1,0,0]=3 2916 B14R1.820 COC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000747449 [0,1,0,0,0,1|1,0,0]=3 2917 B14R1.820 COC(=O)CSc1cc(ccc1O)Cl 62a_100000747449_100011356953 [0,1,0,0,0,1|1,0,0]=3 2918 B14R1.820 COC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747449 [0,1,0,0,0,1|1,0,0]=3 2919 B14R1.820 COC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747449 [0,1,0,0,0,1|1,0,0]=3 2920 B14R1.820 COC(=O)CSc1cc(ccc1O)F 62a_100000747449_100000211999 [0,1,0,0,0,1|1,0,0]=3 2921 B14R1.820 COC(=O)CSc1cc(ccc1O)N 62a_100000747449_100011534360 [0,1,0,0,0,1|1,0,0]=3 2922 B14R1.820 COC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747449 [0,1,0,0,0,1|1,0,0]=3 2923 B14R1.820 COC(=O)CSc1cc(ccc1O)O 62a_100000747449_100009813629 [0,1,0,0,0,1|0,0,0]=2 2924 B14R1.820 COC(=O)CSc1cc(cnc1C)O 62a_100000747449_100009819603 [0,1,0,0,0,1|2,0,0]=4 2925 B14R1.820 COC(=O)CSc1cc(cnc1C)O 62a_100009819603_100000747449 [0,1,0,0,0,1|2,0,0]=4 2926 B14R1.820 COC(=O)CSc1cc(cnc1F)O 62a_100000747449_100009817267 [0,1,0,0,0,1|2,0,0]=4 2927 B14R1.820 COC(=O)CSc1cc(cnc1F)O 62a_100009817267_100000747449 [0,1,0,0,0,1|2,0,0]=4 2928 B14R1.820 COC(=O)CSc1cc(cnc1O)Br 62a_100000747449_100010197142 [0,1,0,0,0,1|2,0,0]=4 2929 B14R1.820 COC(=O)CSc1cc(cnc1O)Br 62a_100010197142_100000747449 [0,1,0,0,0,1|2,0,0]=4 2930 B14R1.820 COC(=O)CSc1cc(cnc1O)C 62a_100000719714_100000747449 [0,1,0,0,0,1|2,0,0]=4 2931 B14R1.820 COC(=O)CSc1cc(cnc1O)C 62a_100000747449_100000719714 [0,1,0,0,0,1|2,0,0]=4 2932 B14R1.820 COC(=O)CSc1cc(cnc1O)Cl 62a_100000747449_100010188700 [0,1,0,0,0,1|2,0,0]=4 2933 B14R1.820 COC(=O)CSc1cc(cnc1O)Cl 62a_100010188700_100000747449 [0,1,0,0,0,1|2,0,0]=4 2934 B14R1.820 COC(=O)CSc1cc(ncc1C)O 62a_100000747449_100009831917 [0,1,0,0,0,1|2,0,0]=4 2935 B14R1.820 COC(=O)CSc1cc(ncc1C)O 62a_100009831917_100000747449 [0,1,0,0,0,1|2,0,0]=4 2936 B14R1.820 COC(=O)CSc1cc(ncc1O)C 62a_100000747449_100009843476 [0,1,0,0,0,1|2,0,0]=4 2937 B14R1.820 COC(=O)CSc1cc(ncc1O)C 62a_100009843476_100000747449 [0,1,0,0,0,1|2,0,0]=4 2938 B14R1.820 COC(=O)CSc1cc(ncc1O)Cl 62a_100000698892_100000747449 [0,1,0,0,0,1|2,0,0]=4 2939 B14R1.820 COC(=O)CSc1cc(ncc1O)Cl 62a_100000747449_100000698892 [0,1,0,0,0,1|2,0,0]=4 2940 B14R1.820 COC(=O)CSc1cc(nnc1O)O 62a_100000747449_100000759565 [0,1,0,0,0,1|2,0,0]=4 2941 B14R1.820 COC(=O)CSc1nc(ccc1O)Br 62a_100000747449_100010253912 [0,1,0,0,0,1|2,0,0]=4 2942 B14R1.820 COC(=O)CSc1nc(ccc1O)Br 62a_100010253912_100000747449 [0,1,0,0,0,1|2,0,0]=4 2943 B14R1.820 COC(=O)CSc1nc(ccc1O)C 62a_100000702858_100000747449 [0,1,0,0,0,1|2,0,0]=4 2944 B14R1.820 COC(=O)CSc1nc(ccc1O)C 62a_100000747449_100000702858 [0,1,0,0,0,1|2,0,0]=4 2945 B14R1.820 COC(=O)CSc1nc(ccc1O)Cl 62a_100000747449_100000696390 [0,1,0,0,0,1|2,0,0]=4 2946 B14R1.820 COC(=O)CSc1nc(ccc1O)F 62a_100000747449_100010382442 [0,1,0,0,0,1|2,0,0]=4 2947 B14R1.820 COC(=O)CSc1nc(ccc1O)F 62a_100010382442_100000747449 [0,1,0,0,0,1|2,0,0]=4 2948 B14R1.820 C[C@@H](CO)CSc1cc(ccc1O)O 62a_100000059175_100009813629 [0,1,0,0,0,1|1,0,1]=4 2949 B14R1.820 Cc1ccc(c(c1)CNC(=O)CO)C 240690a_100000174964_100000210174 [0,1,0,0,0,1|2,0,0]=4 2950 B14R1.820 Cc1ccc(c(c1)CNC(=O)CO)C 527a_100000174964_100000210174 [0,1,0,0,0,1|2,0,0]=4 2951 B14R1.820 Cc1ccc(c(c1)CNC(=O)CO)Cl 240690a_100025705715_100000210174 [0,1,0,0,0,1|2,0,0]=4 2952 B14R1.820 Cc1ccc(c(c1)CNC(=O)CO)Cl 527a_100025705715_100000210174 [0,1,0,0,0,1|2,0,0]=4 2953 B14R1.820 Cc1ccc(c(c1)CNC(=O)CO)F 240690a_100102693586_100000210174 [0,1,0,0,0,1|2,0,0]=4 2954 B14R1.820 Cc1ccc(c(c1)CNC(=O)CO)F 527a_100102693586_100000210174 [0,1,0,0,0,1|2,0,0]=4 2955 B14R1.820 Cc1ccc(cc1CNC(=O)CO)Cl 240690a_100000717755_100000210174 [0,1,0,0,0,1|2,0,0]=4 2956 B14R1.820 Cc1ccc(cc1CNC(=O)CO)Cl 527a_100000717755_100000210174 [0,1,0,0,0,1|2,0,0]=4 2957 B14R1.820 Cc1ccc(cc1CNC(=O)CO)F 240690a_100011217291_100000210174 [0,1,0,0,0,1|2,0,0]=4 2958 B14R1.820 Cc1ccc(cc1CNC(=O)CO)F 527a_100011217291_100000210174 [0,1,0,0,0,1|2,0,0]=4 2959 B14R1.820 Cc1ccc(cc1CNC(=O)CO)O 240690a_200009844824_100000210174 [0,1,0,0,0,1|1,0,0]=3 2960 B14R1.820 Cc1ccc(cc1CNC(=O)CO)O 527a_200009844824_100000210174 [0,1,0,0,0,1|1,0,0]=3 2961 B14R1.820 O=C(CO)CCc1cc(ccc1F)F 1458a_100000210174_100011755056 [0,1,0,0,0,1|2,0,0]=4 2962 B14R1.820 O=C(CO)NCc1cc(ccc1Br)Br 240690a_100000707832_100000210174 [0,1,0,0,0,1|2,0,0]=4 2963 B14R1.820 O=C(CO)NCc1cc(ccc1Br)Br 527a_100000707832_100000210174 [0,1,0,0,0,1|2,0,0]=4 2964 B14R1.820 O=C(CO)NCc1cc(ccc1Br)F 240690a_100000742738_100000210174 [0,1,0,0,0,1|2,0,0]=4 2965 B14R1.820 O=C(CO)NCc1cc(ccc1Br)F 527a_100000742738_100000210174 [0,1,0,0,0,1|2,0,0]=4 2966 B14R1.820 O=C(CO)NCc1cc(ccc1Cl)Br 240690a_100025772652_100000210174 [0,1,0,0,0,1|2,0,0]=4 2967 B14R1.820 O=C(CO)NCc1cc(ccc1Cl)Br 527a_100025772652_100000210174 [0,1,0,0,0,1|2,0,0]=4 2968 B14R1.820 O=C(CO)NCc1cc(ccc1Cl)Cl 240690a_100102946428_100000210174 [0,1,0,0,0,1|2,0,0]=4 2969 B14R1.820 O=C(CO)NCc1cc(ccc1Cl)Cl 527a_100102946428_100000210174 [0,1,0,0,0,1|2,0,0]=4 2970 B14R1.820 O=C(CO)NCc1cc(ccc1Cl)F 240690a_100011830483_100000210174 [0,1,0,0,0,1|2,0,0]=4 2971 B14R1.820 O=C(CO)NCc1cc(ccc1Cl)F 527a_100011830483_100000210174 [0,1,0,0,0,1|2,0,0]=4 2972 B14R1.820 O=C(CO)NCc1cc(ccc1F)Br 240690a_100009815772_100000210174 [0,1,0,0,0,1|2,0,0]=4 2973 B14R1.820 O=C(CO)NCc1cc(ccc1F)Br 527a_100009815772_100000210174 [0,1,0,0,0,1|2,0,0]=4 2974 B14R1.820 O=C(CO)NCc1cc(ccc1F)Cl 240690a_100011211646_100000210174 [0,1,0,0,0,1|2,0,0]=4 2975 B14R1.820 O=C(CO)NCc1cc(ccc1F)Cl 527a_100011211646_100000210174 [0,1,0,0,0,1|2,0,0]=4 2976 B14R1.820 O=C(CO)NCc1cc(ccc1F)F 240690a_100000752317_100000210174 [0,1,0,0,0,1|2,0,0]=4 2977 B14R1.820 O=C(CO)NCc1cc(ccc1F)F 527a_100000752317_100000210174 [0,1,0,0,0,1|2,0,0]=4 2978 B14R1.820 O=C(CO)NCc1cc(ccc1O)Br 240690a_100000730032_100000210174 [0,1,0,0,0,1|1,0,0]=3 2979 B14R1.820 O=C(CO)NCc1cc(ccc1O)Br 527a_100000730032_100000210174 [0,1,0,0,0,1|1,0,0]=3 2980 B14R1.820 O=C(CO)NCc1cc(ccc1O)Cl 240690a_100000238540_100000210174 [0,1,0,0,0,1|1,0,0]=3 2981 B14R1.820 O=C(CO)NCc1cc(ccc1O)Cl 527a_100000238540_100000210174 [0,1,0,0,0,1|1,0,0]=3 2982 B14R1.820 OCC(O)CSc1cc(ccc1O)O 62a_100011219619_100009813629 [0,1,0,0,0,1|0,0,2]=4 2983 B14R1.820 OC[C@H](O)CSc1cc(ccc1O)O 62a_100009815848_100009813629 [0,1,0,0,0,1|0,0,2]=4 2984 B14R1.820 Oc1ccc(c(c1)SC[C@@H](O)CF)O 62a_100015614560_100009813629 [0,1,0,0,0,1|1,0,1]=4 2985 B14R1.1865 C=C(C)CSc1cc(ccc1CO)O 62a_100000748629_100010146404 [0,1,0,0,0,1|2,0,0]=4 2986 B14R1.1865 C=C(C)CSc1cc(ccc1CO)O 62a_100010146404_100000211660 [0,1,0,0,0,1|2,0,0]=4 2987 B14R1.1865 C=C(C)CSc1cc(ccc1OC)O 62a_100000748629_100010234764 [0,1,0,0,0,1|2,0,0]=4 2988 B14R1.1865 C=C(C)CSc1cc(ccc1OC)O 62a_100010234764_100000211660 [0,1,0,0,0,1|2,0,0]=4 2989 B14R1.1865 C=C(F)CSc1cc(ccc1CO)O 62a_100000042424_100010146404 [0,1,0,0,0,1|2,0,0]=4 2990 B14R1.1865 C=C(F)CSc1cc(ccc1CO)O 62a_100010146404_100000042424 [0,1,0,0,0,1|2,0,0]=4 2991 B14R1.1865 C=C(F)CSc1cc(ccc1OC)O 62a_100000042424_100010234764 [0,1,0,0,0,1|2,0,0]=4 2992 B14R1.1865 C=C(F)CSc1cc(ccc1OC)O 62a_100010234764_100000042424 [0,1,0,0,0,1|2,0,0]=4 2993 B14R1.1865 CC(O)CSc1cc(ccc1CO)O 62a_100010146404_100011218427 [0,1,0,0,0,1|1,0,1]=4 2994 B14R1.1865 CC(O)CSc1cc(ccc1CO)O 62a_100011218427_100010146404 [0,1,0,0,0,1|1,0,1]=4 2995 B14R1.1865 COc1ccc(cc1CCC(=O)C)Br 1458a_100000758749_200000210301 [0,1,0,0,0,1|2,0,0]=4 2996 B14R1.1865 COc1ccc(cc1CCC(=O)C)F 1458a_100012180723_200000210301 [0,1,0,0,0,1|2,0,0]=4 2997 B14R1.1865 COc1ccc(cc1CCC(=O)[13CH3])Br 1458a_100000758749_200025704644 [0,1,0,0,0,1|2,0,0]=4 2998 B14R1.1865 COc1ccc(cc1CCC(=O)[13CH3])F 1458a_100012180723_200025704644 [0,1,0,0,0,1|2,0,0]=4 2999 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 11a_100000690498_100015343762 [0,1,0,0,0,1|2,0,0]=4 3000 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 1626a_100000690498_100015343762 [0,1,0,0,0,1|2,0,0]=4 3001 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 240690a_100000690498_100015343762 [0,1,0,0,0,1|2,0,0]=4 3002 B14R1.1865 COc1ccc(cc1CNC(=O)C)Br 527a_100000690498_100103153847 [0,1,0,0,0,1|2,0,0]=4 3003 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 11a_100000740580_100015343762 [0,1,0,0,0,1|2,0,0]=4 3004 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 1626a_100000740580_100015343762 [0,1,0,0,0,1|2,0,0]=4 3005 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 240690a_100000740580_100015343762 [0,1,0,0,0,1|2,0,0]=4 3006 B14R1.1865 COc1ccc(cc1CNC(=O)C)Cl 527a_100000740580_100103153847 [0,1,0,0,0,1|2,0,0]=4 3007 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 11a_100011199032_100015343762 [0,1,0,0,0,1|2,0,0]=4 3008 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 1626a_100011199032_100015343762 [0,1,0,0,0,1|2,0,0]=4 3009 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 240690a_100011199032_100015343762 [0,1,0,0,0,1|2,0,0]=4 3010 B14R1.1865 COc1ccc(cc1CNC(=O)C)F 527a_100011199032_100103153847 [0,1,0,0,0,1|2,0,0]=4 3011 B14R1.1865 COc1ccc(cc1NCC(=O)N)Br 34a_100000743470_100000187820 [0,1,0,0,0,1|2,0,0]=4 3012 B14R1.1865 COc1ccc(cc1NCC(=O)N)C 2230a_100000210980_100000747473 [0,1,0,0,0,1|2,0,0]=4 3013 B14R1.1865 COc1ccc(cc1NCC(=O)N)C 34a_100000210980_100000187820 [0,1,0,0,0,1|2,0,0]=4 3014 B14R1.1865 COc1ccc(cc1NCC(=O)N)Cl 34a_100000182114_100000187820 [0,1,0,0,0,1|2,0,0]=4 3015 B14R1.1865 COc1ccc(cc1NCC(=O)N)F 34a_100000757179_100000187820 [0,1,0,0,0,1|2,0,0]=4 3016 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])Br 34a_100000743470_100020667443 [0,1,0,0,0,1|1,0,1]=4 3017 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])C 34a_100000210980_100020667443 [0,1,0,0,0,1|1,0,1]=4 3018 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])Cl 34a_100000182114_100020667443 [0,1,0,0,0,1|1,0,1]=4 3019 B14R1.1865 COc1ccc(cc1NCC(=O)[O-])F 34a_100000757179_100020667443 [0,1,0,0,0,1|1,0,1]=4 3020 B14R1.1865 COc1ccc(cc1OCC(=O)N)Br 34a_100009816560_100000187820 [0,1,0,0,0,1|2,0,0]=4 3021 B14R1.1865 COc1ccc(cc1OCC(=O)N)Br 7a_100009816560_100000187820 [0,1,0,0,0,1|2,0,0]=4 3022 B14R1.1865 COc1ccc(cc1OCC(=O)N)C 34a_100011216497_100000187820 [0,1,0,0,0,1|2,0,0]=4 3023 B14R1.1865 COc1ccc(cc1OCC(=O)N)C 7a_100011216497_100000187820 [0,1,0,0,0,1|2,0,0]=4 3024 B14R1.1865 COc1ccc(cc1OCC(=O)N)Cl 34a_100000101779_100000187820 [0,1,0,0,0,1|2,0,0]=4 3025 B14R1.1865 COc1ccc(cc1OCC(=O)N)Cl 7a_100000101779_100000187820 [0,1,0,0,0,1|2,0,0]=4 3026 B14R1.1865 COc1ccc(cc1OCC(=O)N)F 34a_100000034962_100000187820 [0,1,0,0,0,1|2,0,0]=4 3027 B14R1.1865 COc1ccc(cc1OCC(=O)N)F 7a_100000034962_100000187820 [0,1,0,0,0,1|2,0,0]=4 3028 B14R1.1865 COc1ccc(cc1OCC(=O)N)N 34a_100000211920_100000187820 [0,1,0,0,0,1|2,0,0]=4 3029 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])Br 34a_100009816560_100020667443 [0,1,0,0,0,1|1,0,1]=4 3030 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])C 34a_100011216497_100020667443 [0,1,0,0,0,1|1,0,1]=4 3031 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])Cl 34a_100000101779_100020667443 [0,1,0,0,0,1|1,0,1]=4 3032 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])F 34a_100000034962_100020667443 [0,1,0,0,0,1|1,0,1]=4 3033 B14R1.1865 COc1ccc(cc1OCC(=O)[O-])N 34a_100000211920_100020667443 [0,1,0,0,0,1|1,0,1]=4 3034 B14R1.1865 COc1ccc(cc1SCC(=O)N)Br 62a_100000747473_100012351588 [0,1,0,0,0,1|2,0,0]=4 3035 B14R1.1865 COc1ccc(cc1SCC(=O)N)Br 62a_100012351588_100000747473 [0,1,0,0,0,1|2,0,0]=4 3036 B14R1.1865 COc1ccc(cc1SCC(=O)N)C 62a_100000186399_100000747473 [0,1,0,0,0,1|2,0,0]=4 3037 B14R1.1865 COc1ccc(cc1SCC(=O)N)C 62a_100000747473_100000186399 [0,1,0,0,0,1|2,0,0]=4 3038 B14R1.1865 COc1ccc(cc1SCC(=O)N)Cl 62a_100000747473_100011215930 [0,1,0,0,0,1|2,0,0]=4 3039 B14R1.1865 COc1ccc(cc1SCC(=O)N)Cl 62a_100011215930_100000747473 [0,1,0,0,0,1|2,0,0]=4 3040 B14R1.1865 COc1ccc(cc1SCC(=O)N)F 62a_100000171694_100000747473 [0,1,0,0,0,1|2,0,0]=4 3041 B14R1.1865 COc1ccc(cc1SCC(=O)N)F 62a_100000747473_100000171694 [0,1,0,0,0,1|2,0,0]=4 3042 B14R1.1865 COc1ccc(cc1SCC(=O)N)N 62a_100000747473_100011356947 [0,1,0,0,0,1|2,0,0]=4 3043 B14R1.1865 COc1ccc(cc1SCC(=O)N)N 62a_100011356947_100000747473 [0,1,0,0,0,1|2,0,0]=4 3044 B14R1.1865 COc1ccc(cc1SCC(=O)N)O 62a_100000747473_100010234764 [0,1,0,0,0,1|1,0,0]=3 3045 B14R1.1865 COc1ccc(cc1SCC(=O)N)O 62a_100010234764_100000747473 [0,1,0,0,0,1|1,0,0]=3 3046 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Br 62a_100012351588_100020667443 [0,1,0,0,0,1|1,0,1]=4 3047 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Br 62a_100020667443_100012351588 [0,1,0,0,0,1|1,0,1]=4 3048 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])C 62a_100000186399_100020667443 [0,1,0,0,0,1|1,0,1]=4 3049 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])C 62a_100020667443_100000186399 [0,1,0,0,0,1|1,0,1]=4 3050 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Cl 62a_100011215930_100020667443 [0,1,0,0,0,1|1,0,1]=4 3051 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])Cl 62a_100020667443_100011215930 [0,1,0,0,0,1|1,0,1]=4 3052 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])F 62a_100000171694_100020667443 [0,1,0,0,0,1|1,0,1]=4 3053 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])F 62a_100020667443_100000171694 [0,1,0,0,0,1|1,0,1]=4 3054 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])N 62a_100011356947_100020667443 [0,1,0,0,0,1|1,0,1]=4 3055 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])N 62a_100020667443_100011356947 [0,1,0,0,0,1|1,0,1]=4 3056 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])O 62a_100010234764_100020667443 [0,1,0,0,0,1|0,0,1]=3 3057 B14R1.1865 COc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100010234764 [0,1,0,0,0,1|0,0,1]=3 3058 B14R1.1865 COc1ccc(cc1SCC(C)O)O 62a_100010234764_100011218427 [0,1,0,0,0,1|1,0,1]=4 3059 B14R1.1865 COc1ccc(cc1SCC(C)O)O 62a_100011218427_100010234764 [0,1,0,0,0,1|1,0,1]=4 3060 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)O 62a_100009817552_100010234764 [0,1,0,0,0,1|1,0,1]=4 3061 B14R1.1865 COc1ccc(cc1SC[C@@H](C)O)O 62a_100010234764_100009817552 [0,1,0,0,0,1|1,0,1]=4 3062 B14R1.1865 COc1ccc(cc1SC[N+](=O)[O-])O 62a_100010234764_100000761209 [0,1,0,0,0,1|1,0,1]=4 3063 B14R1.1865 C[C@@H](O)CSc1cc(ccc1CO)O 62a_100009817552_100010146404 [0,1,0,0,0,1|1,0,1]=4 3064 B14R1.1865 C[C@@H](O)CSc1cc(ccc1CO)O 62a_100010146404_100009817552 [0,1,0,0,0,1|1,0,1]=4 3065 B14R1.1865 Cc1ccc(c(c1)NCC(=O)N)CO 34a_100000087799_100000187820 [0,1,0,0,0,1|2,0,0]=4 3066 B14R1.1865 Cc1ccc(c(c1)NCC(=O)[O-])CO 34a_100000087799_100020667443 [0,1,0,0,0,1|1,0,1]=4 3067 B14R1.1865 N#Cc1ccc(cc1SCC(=O)N)O 62a_100000747473_100012184851 [0,1,0,0,0,1|2,0,0]=4 3068 B14R1.1865 N#Cc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100012184851 [0,1,0,0,0,1|1,0,1]=4 3069 B14R1.1865 NC(=O)CNc1cc(ccc1CO)Br 34a_100000718831_100000187820 [0,1,0,0,0,1|2,0,0]=4 3070 B14R1.1865 NC(=O)CNc1cc(ccc1CO)Cl 34a_100000238622_100000187820 [0,1,0,0,0,1|2,0,0]=4 3071 B14R1.1865 NC(=O)CNc1cc(ccc1CO)F 34a_100011996588_100000187820 [0,1,0,0,0,1|2,0,0]=4 3072 B14R1.1865 NC(=O)COc1cc(ccc1CO)Br 34a_100000071718_100000187820 [0,1,0,0,0,1|2,0,0]=4 3073 B14R1.1865 NC(=O)COc1cc(ccc1CO)Br 7a_100000071718_100000187820 [0,1,0,0,0,1|2,0,0]=4 3074 B14R1.1865 NC(=O)CSc1cc(ccc1C=O)O 62a_100000747473_100011236494 [0,1,0,0,0,1|1,0,1]=4 3075 B14R1.1865 NC(=O)CSc1cc(ccc1C=O)O 62a_100011236494_100000747473 [0,1,0,0,0,1|1,0,1]=4 3076 B14R1.1865 NC(=O)CSc1cc(ccc1CO)Br 62a_100000747473_100010146605 [0,1,0,0,0,1|2,0,0]=4 3077 B14R1.1865 NC(=O)CSc1cc(ccc1CO)Br 62a_100010146605_100000747473 [0,1,0,0,0,1|2,0,0]=4 3078 B14R1.1865 NC(=O)CSc1cc(ccc1CO)Cl 62a_100000722340_100000747473 [0,1,0,0,0,1|2,0,0]=4 3079 B14R1.1865 NC(=O)CSc1cc(ccc1CO)Cl 62a_100000747473_100000722340 [0,1,0,0,0,1|2,0,0]=4 3080 B14R1.1865 NC(=O)CSc1cc(ccc1CO)F 62a_100000744086_100000747473 [0,1,0,0,0,1|2,0,0]=4 3081 B14R1.1865 NC(=O)CSc1cc(ccc1CO)F 62a_100000747473_100000744086 [0,1,0,0,0,1|2,0,0]=4 3082 B14R1.1865 NC(=O)CSc1cc(ccc1CO)O 62a_100000747473_100010146404 [0,1,0,0,0,1|1,0,0]=3 3083 B14R1.1865 NC(=O)CSc1cc(ccc1CO)O 62a_100010146404_100000747473 [0,1,0,0,0,1|1,0,0]=3 3084 B14R1.1865 O=C([O-])CNc1cc(ccc1CO)Br 34a_100000718831_100020667443 [0,1,0,0,0,1|1,0,1]=4 3085 B14R1.1865 O=C([O-])CNc1cc(ccc1CO)Cl 34a_100000238622_100020667443 [0,1,0,0,0,1|1,0,1]=4 3086 B14R1.1865 O=C([O-])CNc1cc(ccc1CO)F 34a_100011996588_100020667443 [0,1,0,0,0,1|1,0,1]=4 3087 B14R1.1865 O=C([O-])COc1cc(ccc1CO)Br 34a_100000071718_100020667443 [0,1,0,0,0,1|1,0,1]=4 3088 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)Br 62a_100010146605_100020667443 [0,1,0,0,0,1|1,0,1]=4 3089 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)Br 62a_100020667443_100010146605 [0,1,0,0,0,1|1,0,1]=4 3090 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)Cl 62a_100000722340_100020667443 [0,1,0,0,0,1|1,0,1]=4 3091 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)Cl 62a_100020667443_100000722340 [0,1,0,0,0,1|1,0,1]=4 3092 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)F 62a_100000744086_100020667443 [0,1,0,0,0,1|1,0,1]=4 3093 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)F 62a_100020667443_100000744086 [0,1,0,0,0,1|1,0,1]=4 3094 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)O 62a_100010146404_100020667443 [0,1,0,0,0,1|0,0,1]=3 3095 B14R1.1865 O=C([O-])CSc1cc(ccc1CO)O 62a_100020667443_100010146404 [0,1,0,0,0,1|0,0,1]=3 3096 B14R1.1865 O=Cc1ccc(cc1SCC(=O)[O-])O 62a_100011236494_100020667443 [0,1,0,0,0,1|0,0,2]=4 3097 B14R1.1865 O=Cc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100011236494 [0,1,0,0,0,1|0,0,2]=4 3098 B14R1.1865 O=[N+]([O-])CSc1cc(ccc1CO)O 62a_100010146404_100000761209 [0,1,0,0,0,1|1,0,1]=4 3099 B14R1.2335 C=C(C)CNc1cc(ccc1O)CO 34a_100000123545_100000748629 [0,1,0,0,0,1|2,0,0]=4 3100 B14R1.2335 C=C(C)CNc1cc(ccc1O)OC 34a_100000188146_100000748629 [0,1,0,0,0,1|2,0,0]=4 3101 B14R1.2335 C=C(C)CSc1cc(ccc1O)CO 62a_100000748629_100011191544 [0,1,0,0,0,1|2,0,0]=4 3102 B14R1.2335 C=C(C)CSc1cc(ccc1O)CO 62a_100011191544_100000211660 [0,1,0,0,0,1|2,0,0]=4 3103 B14R1.2335 C=C(C)CSc1cc(ccc1O)OC 62a_100000748629_100000685887 [0,1,0,0,0,1|2,0,0]=4 3104 B14R1.2335 C=C(F)CNc1cc(ccc1O)CO 34a_100000123545_100009893438 [0,1,0,0,0,1|2,0,0]=4 3105 B14R1.2335 C=C(F)CNc1cc(ccc1O)OC 34a_100000188146_100009893438 [0,1,0,0,0,1|2,0,0]=4 3106 B14R1.2335 C=C(F)CSc1cc(ccc1O)CO 62a_100000042424_100011191544 [0,1,0,0,0,1|2,0,0]=4 3107 B14R1.2335 C=C(F)CSc1cc(ccc1O)CO 62a_100011191544_100000042424 [0,1,0,0,0,1|2,0,0]=4 3108 B14R1.2335 C=C(F)CSc1cc(ccc1O)OC 62a_100000042424_100000685887 [0,1,0,0,0,1|2,0,0]=4 3109 B14R1.2335 CC(O)CNc1cc(ccc1O)CO 34a_100000123545_100011218427 [0,1,0,0,0,1|1,0,1]=4 3110 B14R1.2335 CC(O)CSc1cc(ccc1O)CO 62a_100011191544_100011218427 [0,1,0,0,0,1|1,0,1]=4 3111 B14R1.2335 CC(O)CSc1cc(ccc1O)CO 62a_100011218427_100011191544 [0,1,0,0,0,1|1,0,1]=4 3112 B14R1.2335 CCc1ccc(c(c1)NCC(=O)N)O 34a_100000765835_100000187820 [0,1,0,0,0,1|2,0,0]=4 3113 B14R1.2335 CCc1ccc(c(c1)NCC(=O)[O-])O 34a_100000765835_100020667443 [0,1,0,0,0,1|1,0,1]=4 3114 B14R1.2335 CCc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100012339963 [0,1,0,0,0,1|2,0,0]=4 3115 B14R1.2335 CCc1ccc(c(c1)SCC(=O)N)O 62a_100012339963_100000747473 [0,1,0,0,0,1|2,0,0]=4 3116 B14R1.2335 CCc1ccc(c(c1)SCC(=O)[O-])O 62a_100012339963_100020667443 [0,1,0,0,0,1|1,0,1]=4 3117 B14R1.2335 CCc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100012339963 [0,1,0,0,0,1|1,0,1]=4 3118 B14R1.2335 COc1ccc(c(c1)CCC(=O)C)Br 1458a_200012259420_200000210301 [0,1,0,0,0,1|2,0,0]=4 3119 B14R1.2335 COc1ccc(c(c1)CCC(=O)[13CH3])Br 1458a_200012259420_200025704644 [0,1,0,0,0,1|2,0,0]=4 3120 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 11a_100000741592_100015343762 [0,1,0,0,0,1|2,0,0]=4 3121 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 1626a_100000741592_100015343762 [0,1,0,0,0,1|2,0,0]=4 3122 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 240690a_100000741592_100015343762 [0,1,0,0,0,1|2,0,0]=4 3123 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)Br 527a_100000741592_100103153847 [0,1,0,0,0,1|2,0,0]=4 3124 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 11a_100012180165_100015343762 [0,1,0,0,0,1|2,0,0]=4 3125 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 1626a_100012180165_100015343762 [0,1,0,0,0,1|2,0,0]=4 3126 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 240690a_100012180165_100015343762 [0,1,0,0,0,1|2,0,0]=4 3127 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)C 527a_100012180165_100103153847 [0,1,0,0,0,1|2,0,0]=4 3128 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 11a_100016995475_100015343762 [0,1,0,0,0,1|2,0,0]=4 3129 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 1626a_100016995475_100015343762 [0,1,0,0,0,1|2,0,0]=4 3130 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 240690a_100016995475_100015343762 [0,1,0,0,0,1|2,0,0]=4 3131 B14R1.2335 COc1ccc(c(c1)CNC(=O)C)F 527a_100016995475_100103153847 [0,1,0,0,0,1|2,0,0]=4 3132 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)Br 34a_100000748603_100000187820 [0,1,0,0,0,1|2,0,0]=4 3133 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)C 2230a_100000760359_100000747473 [0,1,0,0,0,1|2,0,0]=4 3134 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)C 34a_100000760359_100000187820 [0,1,0,0,0,1|2,0,0]=4 3135 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)Cl 34a_100000745576_100000187820 [0,1,0,0,0,1|2,0,0]=4 3136 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)F 34a_100000764331_100000187820 [0,1,0,0,0,1|2,0,0]=4 3137 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)I 34a_100000748021_100000187820 [0,1,0,0,0,1|2,0,0]=4 3138 B14R1.2335 COc1ccc(c(c1)NCC(=O)N)O 34a_100000188146_100000187820 [0,1,0,0,0,1|1,0,0]=3 3139 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])Br 34a_100000748603_100020667443 [0,1,0,0,0,1|1,0,1]=4 3140 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])C 34a_100000760359_100020667443 [0,1,0,0,0,1|1,0,1]=4 3141 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])Cl 34a_100000745576_100020667443 [0,1,0,0,0,1|1,0,1]=4 3142 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])F 34a_100000764331_100020667443 [0,1,0,0,0,1|1,0,1]=4 3143 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])I 34a_100000748021_100020667443 [0,1,0,0,0,1|1,0,1]=4 3144 B14R1.2335 COc1ccc(c(c1)NCC(=O)[O-])O 34a_100000188146_100020667443 [0,1,0,0,0,1|0,0,1]=3 3145 B14R1.2335 COc1ccc(c(c1)NCC(C)O)O 34a_100000188146_100011218427 [0,1,0,0,0,1|1,0,1]=4 3146 B14R1.2335 COc1ccc(c(c1)NC[C@@H](C)O)O 34a_100000188146_100009817552 [0,1,0,0,0,1|1,0,1]=4 3147 B14R1.2335 COc1ccc(c(c1)NC[N+](=O)[O-])O 34a_100000188146_100000761209 [0,1,0,0,0,1|1,0,1]=4 3148 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)Br 34a_100000719091_100000187820 [0,1,0,0,0,1|2,0,0]=4 3149 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)Br 7a_100000719091_100000187820 [0,1,0,0,0,1|2,0,0]=4 3150 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)C 34a_100012179981_100000187820 [0,1,0,0,0,1|2,0,0]=4 3151 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)C 7a_100012179981_100000187820 [0,1,0,0,0,1|2,0,0]=4 3152 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)Cl 34a_100011516019_100000187820 [0,1,0,0,0,1|2,0,0]=4 3153 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)Cl 7a_100011516019_100000187820 [0,1,0,0,0,1|2,0,0]=4 3154 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)F 34a_100012178750_100000187820 [0,1,0,0,0,1|2,0,0]=4 3155 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)F 7a_100012178750_100000187820 [0,1,0,0,0,1|2,0,0]=4 3156 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)I 34a_100010168831_100000187820 [0,1,0,0,0,1|2,0,0]=4 3157 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)I 7a_100010168831_100000187820 [0,1,0,0,0,1|2,0,0]=4 3158 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)N 34a_100016989039_100000187820 [0,1,0,0,0,1|2,0,0]=4 3159 B14R1.2335 COc1ccc(c(c1)OCC(=O)N)N 7a_100016989039_100000187820 [0,1,0,0,0,1|2,0,0]=4 3160 B14R1.2335 COc1ccc(c(c1)OCC(=O)[O-])Br 34a_100000719091_100020667443 [0,1,0,0,0,1|1,0,1]=4 3161 B14R1.2335 COc1ccc(c(c1)OCC(=O)[O-])C 34a_100012179981_100020667443 [0,1,0,0,0,1|1,0,1]=4 3162 B14R1.2335 COc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100011516019_100020667443 [0,1,0,0,0,1|1,0,1]=4 3163 B14R1.2335 COc1ccc(c(c1)OCC(=O)[O-])F 34a_100012178750_100020667443 [0,1,0,0,0,1|1,0,1]=4 3164 B14R1.2335 COc1ccc(c(c1)OCC(=O)[O-])I 34a_100010168831_100020667443 [0,1,0,0,0,1|1,0,1]=4 3165 B14R1.2335 COc1ccc(c(c1)OCC(=O)[O-])N 34a_100016989039_100020667443 [0,1,0,0,0,1|1,0,1]=4 3166 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)Br 62a_100000747473_100009992028 [0,1,0,0,0,1|2,0,0]=4 3167 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)Br 62a_100009992028_100000747473 [0,1,0,0,0,1|2,0,0]=4 3168 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)C 62a_100000747473_100012349166 [0,1,0,0,0,1|2,0,0]=4 3169 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)C 62a_100012349166_100000747473 [0,1,0,0,0,1|2,0,0]=4 3170 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)Cl 62a_100000747473_100011356938 [0,1,0,0,0,1|2,0,0]=4 3171 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)Cl 62a_100011356938_100000747473 [0,1,0,0,0,1|2,0,0]=4 3172 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)F 62a_100000699733_100000747473 [0,1,0,0,0,1|2,0,0]=4 3173 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)F 62a_100000747473_100000699733 [0,1,0,0,0,1|2,0,0]=4 3174 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)N 62a_100000747473_100015195136 [0,1,0,0,0,1|2,0,0]=4 3175 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)N 62a_100015195136_100000747473 [0,1,0,0,0,1|2,0,0]=4 3176 B14R1.2335 COc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000685887 [0,1,0,0,0,1|1,0,0]=3 3177 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])Br 62a_100009992028_100020667443 [0,1,0,0,0,1|1,0,1]=4 3178 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100009992028 [0,1,0,0,0,1|1,0,1]=4 3179 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])C 62a_100012349166_100020667443 [0,1,0,0,0,1|1,0,1]=4 3180 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])C 62a_100020667443_100012349166 [0,1,0,0,0,1|1,0,1]=4 3181 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100011356938_100020667443 [0,1,0,0,0,1|1,0,1]=4 3182 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100011356938 [0,1,0,0,0,1|1,0,1]=4 3183 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])F 62a_100000699733_100020667443 [0,1,0,0,0,1|1,0,1]=4 3184 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000699733 [0,1,0,0,0,1|1,0,1]=4 3185 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])N 62a_100015195136_100020667443 [0,1,0,0,0,1|1,0,1]=4 3186 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100015195136 [0,1,0,0,0,1|1,0,1]=4 3187 B14R1.2335 COc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000685887 [0,1,0,0,0,1|0,0,1]=3 3188 B14R1.2335 COc1ccc(c(c1)SCC(C)O)O 62a_100011218427_100000685887 [0,1,0,0,0,1|1,0,1]=4 3189 B14R1.2335 COc1ccc(c(c1)SC[C@@H](C)O)O 62a_100009817552_100000685887 [0,1,0,0,0,1|1,0,1]=4 3190 B14R1.2335 C[C@@H](O)CNc1cc(ccc1O)CO 34a_100000123545_100009817552 [0,1,0,0,0,1|1,0,1]=4 3191 B14R1.2335 C[C@@H](O)CSc1cc(ccc1O)CO 62a_100009817552_100011191544 [0,1,0,0,0,1|1,0,1]=4 3192 B14R1.2335 C[C@@H](O)CSc1cc(ccc1O)CO 62a_100011191544_100009817552 [0,1,0,0,0,1|1,0,1]=4 3193 B14R1.2335 Cc1ccc(cc1NCC(=O)N)CO 2230a_100000758420_100000747473 [0,1,0,0,0,1|2,0,0]=4 3194 B14R1.2335 Cc1ccc(cc1NCC(=O)N)CO 34a_100000758420_100000187820 [0,1,0,0,0,1|2,0,0]=4 3195 B14R1.2335 Cc1ccc(cc1NCC(=O)[O-])CO 34a_100000758420_100020667443 [0,1,0,0,0,1|1,0,1]=4 3196 B14R1.2335 Cc1ccc(cc1SCC(=O)N)CO 62a_100000708995_100000747473 [0,1,0,0,0,1|2,0,0]=4 3197 B14R1.2335 Cc1ccc(cc1SCC(=O)N)CO 62a_100000747473_100000708995 [0,1,0,0,0,1|2,0,0]=4 3198 B14R1.2335 Cc1ccc(cc1SCC(=O)[O-])CO 62a_100000708995_100020667443 [0,1,0,0,0,1|1,0,1]=4 3199 B14R1.2335 Cc1ccc(cc1SCC(=O)[O-])CO 62a_100020667443_100000708995 [0,1,0,0,0,1|1,0,1]=4 3200 B14R1.2335 N#Cc1ccc(c(c1)NCC(=O)N)O 34a_100000766272_100000187820 [0,1,0,0,0,1|2,0,0]=4 3201 B14R1.2335 N#Cc1ccc(c(c1)NCC(=O)N)O 7a_100000766272_100000187820 [0,1,0,0,0,1|2,0,0]=4 3202 B14R1.2335 N#Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100000766272_100020667443 [0,1,0,0,0,1|1,0,1]=4 3203 B14R1.2335 N#Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000725478 [0,1,0,0,0,1|2,0,0]=4 3204 B14R1.2335 N#Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000725478 [0,1,0,0,0,1|1,0,1]=4 3205 B14R1.2335 NC(=O)CNc1cc(ccc1Br)CO 34a_100012347568_100000187820 [0,1,0,0,0,1|2,0,0]=4 3206 B14R1.2335 NC(=O)CNc1cc(ccc1Cl)CO 34a_106256033963_100000187820 [0,1,0,0,0,1|2,0,0]=4 3207 B14R1.2335 NC(=O)CNc1cc(ccc1F)CO 2230a_102125399562_100000747473 [0,1,0,0,0,1|2,0,0]=4 3208 B14R1.2335 NC(=O)CNc1cc(ccc1F)CO 34a_102125399562_100000187820 [0,1,0,0,0,1|2,0,0]=4 3209 B14R1.2335 NC(=O)CNc1cc(ccc1O)CO 34a_100000123545_100000187820 [0,1,0,0,0,1|1,0,0]=3 3210 B14R1.2335 NC(=O)COc1cc(ccc1Br)CO 34a_100010191536_100000187820 [0,1,0,0,0,1|2,0,0]=4 3211 B14R1.2335 NC(=O)COc1cc(ccc1Br)CO 7a_100010191536_100000187820 [0,1,0,0,0,1|2,0,0]=4 3212 B14R1.2335 NC(=O)COc1cc(ccc1Cl)CO 34a_100009876509_100000187820 [0,1,0,0,0,1|2,0,0]=4 3213 B14R1.2335 NC(=O)COc1cc(ccc1Cl)CO 7a_100009876509_100000187820 [0,1,0,0,0,1|2,0,0]=4 3214 B14R1.2335 NC(=O)COc1cc(ccc1F)CO 34a_100009842347_100000187820 [0,1,0,0,0,1|2,0,0]=4 3215 B14R1.2335 NC(=O)COc1cc(ccc1F)CO 7a_100009842347_100000187820 [0,1,0,0,0,1|2,0,0]=4 3216 B14R1.2335 NC(=O)COc1cc(ccc1I)CO 34a_100000049605_100000187820 [0,1,0,0,0,1|2,0,0]=4 3217 B14R1.2335 NC(=O)COc1cc(ccc1I)CO 7a_100000049605_100000187820 [0,1,0,0,0,1|2,0,0]=4 3218 B14R1.2335 NC(=O)CSc1cc(ccc1F)CO 62a_100000246287_100000747473 [0,1,0,0,0,1|2,0,0]=4 3219 B14R1.2335 NC(=O)CSc1cc(ccc1F)CO 62a_100000747473_100000246287 [0,1,0,0,0,1|2,0,0]=4 3220 B14R1.2335 NC(=O)CSc1cc(ccc1O)C=O 62a_100000184552_100000747473 [0,1,0,0,0,1|1,0,1]=4 3221 B14R1.2335 NC(=O)CSc1cc(ccc1O)C=O 62a_100000747473_100000184552 [0,1,0,0,0,1|1,0,1]=4 3222 B14R1.2335 NC(=O)CSc1cc(ccc1O)CO 62a_100000747473_100011191544 [0,1,0,0,0,1|1,0,0]=3 3223 B14R1.2335 NC(=O)CSc1cc(ccc1O)CO 62a_100011191544_100000747473 [0,1,0,0,0,1|1,0,0]=3 3224 B14R1.2335 NC(=O)CSc1nc(ccc1O)CO 62a_100000747473_200000118097 [0,1,0,0,0,1|2,0,0]=4 3225 B14R1.2335 NC(=O)CSc1nc(ccc1O)CO 62a_200009817064_100000747473 [0,1,0,0,0,1|2,0,0]=4 3226 B14R1.2335 O=C([O-])CNc1cc(ccc1Br)CO 34a_100012347568_100020667443 [0,1,0,0,0,1|1,0,1]=4 3227 B14R1.2335 O=C([O-])CNc1cc(ccc1Cl)CO 34a_106256033963_100020667443 [0,1,0,0,0,1|1,0,1]=4 3228 B14R1.2335 O=C([O-])CNc1cc(ccc1F)CO 34a_102125399562_100020667443 [0,1,0,0,0,1|1,0,1]=4 3229 B14R1.2335 O=C([O-])CNc1cc(ccc1O)CO 34a_100000123545_100020667443 [0,1,0,0,0,1|0,0,1]=3 3230 B14R1.2335 O=C([O-])COc1cc(ccc1Br)CO 34a_100010191536_100020667443 [0,1,0,0,0,1|1,0,1]=4 3231 B14R1.2335 O=C([O-])COc1cc(ccc1Cl)CO 34a_100009876509_100020667443 [0,1,0,0,0,1|1,0,1]=4 3232 B14R1.2335 O=C([O-])COc1cc(ccc1F)CO 34a_100009842347_100020667443 [0,1,0,0,0,1|1,0,1]=4 3233 B14R1.2335 O=C([O-])COc1cc(ccc1I)CO 34a_100000049605_100020667443 [0,1,0,0,0,1|1,0,1]=4 3234 B14R1.2335 O=C([O-])CSc1cc(ccc1F)CO 62a_100000246287_100020667443 [0,1,0,0,0,1|1,0,1]=4 3235 B14R1.2335 O=C([O-])CSc1cc(ccc1F)CO 62a_100020667443_100000246287 [0,1,0,0,0,1|1,0,1]=4 3236 B14R1.2335 O=C([O-])CSc1cc(ccc1O)CO 62a_100011191544_100020667443 [0,1,0,0,0,1|0,0,1]=3 3237 B14R1.2335 O=C([O-])CSc1cc(ccc1O)CO 62a_100020667443_100011191544 [0,1,0,0,0,1|0,0,1]=3 3238 B14R1.2335 O=C([O-])CSc1nc(ccc1O)CO 62a_100020667443_200000118097 [0,1,0,0,0,1|1,0,1]=4 3239 B14R1.2335 O=C([O-])CSc1nc(ccc1O)CO 62a_200009817064_100020667443 [0,1,0,0,0,1|1,0,1]=4 3240 B14R1.2335 O=Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000184552_100020667443 [0,1,0,0,0,1|0,0,2]=4 3241 B14R1.2335 O=Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000184552 [0,1,0,0,0,1|0,0,2]=4 3242 B14R1.2335 O=[N+]([O-])CNc1cc(ccc1O)CO 34a_100000123545_100000761209 [0,1,0,0,0,1|1,0,1]=4 3243 B14R1.2335 O=[N+]([O-])CSc1cc(ccc1O)CO 62a_100011191544_100000761209 [0,1,0,0,0,1|1,0,1]=4 3244 B14R1.3150 Cc1cc(c(c(c1)NCC(=O)N)O)C 34a_100011216242_100000187820 [0,1,0,0,0,1|2,0,0]=4 3245 B14R1.3150 Cc1cc(c(c(c1)NCC(=O)N)O)C 7a_100011216242_100000187820 [0,1,0,0,0,1|2,0,0]=4 3246 B14R1.3150 Cc1cc(c(c(c1)NCC(=O)[O-])O)C 34a_100011216242_100020667443 [0,1,0,0,0,1|1,0,1]=4 3247 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)N)O)C 62a_100000747473_100011934984 [0,1,0,0,0,1|2,0,0]=4 3248 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)N)O)C 62a_100011934984_100000747473 [0,1,0,0,0,1|2,0,0]=4 3249 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)N)O)F 62a_100000747473_200135191068 [0,1,0,0,0,1|2,0,0]=4 3250 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)N)O)F 62a_200135191068_100000747473 [0,1,0,0,0,1|2,0,0]=4 3251 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)[O-])O)C 62a_100011934984_100020667443 [0,1,0,0,0,1|1,0,1]=4 3252 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)[O-])O)C 62a_100020667443_100011934984 [0,1,0,0,0,1|1,0,1]=4 3253 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)[O-])O)F 62a_100020667443_200135191068 [0,1,0,0,0,1|1,0,1]=4 3254 B14R1.3150 Cc1cc(c(c(c1)SCC(=O)[O-])O)F 62a_200135191068_100020667443 [0,1,0,0,0,1|1,0,1]=4 3255 B14R1.3150 Cc1cc(cc(c1C)SCC(=O)N)O 62a_100000747473_100010068915 [0,1,0,0,0,1|2,0,0]=4 3256 B14R1.3150 Cc1cc(cc(c1C)SCC(=O)N)O 62a_100010068915_100000747473 [0,1,0,0,0,1|2,0,0]=4 3257 B14R1.3150 Cc1cc(cc(c1C)SCC(=O)[O-])O 62a_100010068915_100020667443 [0,1,0,0,0,1|1,0,1]=4 3258 B14R1.3150 Cc1cc(cc(c1C)SCC(=O)[O-])O 62a_100020667443_100010068915 [0,1,0,0,0,1|1,0,1]=4 3259 B14R1.3150 Cc1cc(cc(c1O)NCC(=O)N)Br 34a_100011825904_100000187820 [0,1,0,0,0,1|2,0,0]=4 3260 B14R1.3150 Cc1cc(cc(c1O)NCC(=O)N)Br 7a_100011825904_100000187820 [0,1,0,0,0,1|2,0,0]=4 3261 B14R1.3150 Cc1cc(cc(c1O)NCC(=O)N)F 34a_100000130126_100000187820 [0,1,0,0,0,1|2,0,0]=4 3262 B14R1.3150 Cc1cc(cc(c1O)NCC(=O)N)F 7a_100000130126_100000187820 [0,1,0,0,0,1|2,0,0]=4 3263 B14R1.3150 Cc1cc(cc(c1O)NCC(=O)[O-])Br 34a_100011825904_100020667443 [0,1,0,0,0,1|1,0,1]=4 3264 B14R1.3150 Cc1cc(cc(c1O)NCC(=O)[O-])F 34a_100000130126_100020667443 [0,1,0,0,0,1|1,0,1]=4 3265 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)N)Cl 62a_100000747473_100012343667 [0,1,0,0,0,1|2,0,0]=4 3266 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)N)Cl 62a_100012343667_100000747473 [0,1,0,0,0,1|2,0,0]=4 3267 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)N)N 62a_100000747473_100010064301 [0,1,0,0,0,1|2,0,0]=4 3268 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)N)N 62a_100010064301_100000747473 [0,1,0,0,0,1|2,0,0]=4 3269 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)[O-])Cl 62a_100012343667_100020667443 [0,1,0,0,0,1|1,0,1]=4 3270 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)[O-])Cl 62a_100020667443_100012343667 [0,1,0,0,0,1|1,0,1]=4 3271 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)[O-])N 62a_100010064301_100020667443 [0,1,0,0,0,1|1,0,1]=4 3272 B14R1.3150 Cc1cc(cc(c1O)SCC(=O)[O-])N 62a_100020667443_100010064301 [0,1,0,0,0,1|1,0,1]=4 3273 B14R1.3150 NC(=O)CNc1cc(cc(c1O)Br)Br 34a_100010781877_100000187820 [0,1,0,0,0,1|2,0,0]=4 3274 B14R1.3150 NC(=O)CNc1cc(cc(c1O)Br)Cl 34a_106741647128_100000187820 [0,1,0,0,0,1|2,0,0]=4 3275 B14R1.3150 NC(=O)CNc1cc(cc(c1O)Br)F 34a_200011217456_100000187820 [0,1,0,0,0,1|2,0,0]=4 3276 B14R1.3150 NC(=O)CNc1cc(cc(c1O)Cl)Br 34a_100000694353_100000187820 [0,1,0,0,0,1|2,0,0]=4 3277 B14R1.3150 NC(=O)CNc1cc(cc(c1O)Cl)Cl 34a_100000695819_100000187820 [0,1,0,0,0,1|2,0,0]=4 3278 B14R1.3150 NC(=O)CNc1cc(cc(c1O)F)Br 34a_100011217383_100000187820 [0,1,0,0,0,1|2,0,0]=4 3279 B14R1.3150 NC(=O)CNc1cc(cc(c1O)F)Br 7a_100011217383_100000187820 [0,1,0,0,0,1|2,0,0]=4 3280 B14R1.3150 NC(=O)CNc1cc(cc(c1O)F)F 34a_100015205836_100000187820 [0,1,0,0,0,1|2,0,0]=4 3281 B14R1.3150 NC(=O)CSc1cc(cc(c1O)Br)F 62a_100000747473_200013085147 [0,1,0,0,0,1|2,0,0]=4 3282 B14R1.3150 NC(=O)CSc1cc(cc(c1O)Br)F 62a_200013085147_100000747473 [0,1,0,0,0,1|2,0,0]=4 3283 B14R1.3150 NC(=O)CSc1cc(cc(c1O)Cl)Cl 62a_100000747473_200012339341 [0,1,0,0,0,1|2,0,0]=4 3284 B14R1.3150 NC(=O)CSc1cc(cc(c1O)Cl)Cl 62a_200012339341_100000747473 [0,1,0,0,0,1|2,0,0]=4 3285 B14R1.3150 NC(=O)CSc1cc(cc(c1O)F)Br 62a_100000747473_100013354677 [0,1,0,0,0,1|2,0,0]=4 3286 B14R1.3150 NC(=O)CSc1cc(cc(c1O)F)Br 62a_100013354677_100000747473 [0,1,0,0,0,1|2,0,0]=4 3287 B14R1.3150 NC(=O)CSc1cc(cc(c1O)F)F 62a_100000688693_100000747473 [0,1,0,0,0,1|2,0,0]=4 3288 B14R1.3150 NC(=O)CSc1cc(cc(c1O)F)F 62a_100000747473_100000688693 [0,1,0,0,0,1|2,0,0]=4 3289 B14R1.3150 NC(=O)CSc1cc(cc(c1O)N)Br 62a_100000747473_100016071998 [0,1,0,0,0,1|2,0,0]=4 3290 B14R1.3150 NC(=O)CSc1cc(cc(c1O)N)Br 62a_100016071998_100000747473 [0,1,0,0,0,1|2,0,0]=4 3291 B14R1.3150 NC(=O)CSc1cc(cc(c1O)N)F 62a_100000747473_200011217456 [0,1,0,0,0,1|2,0,0]=4 3292 B14R1.3150 NC(=O)CSc1cc(cc(c1O)N)F 62a_200011217456_100000747473 [0,1,0,0,0,1|2,0,0]=4 3293 B14R1.3150 Nc1cc(cc(c1O)SCC(=O)[O-])Br 62a_100016071998_100020667443 [0,1,0,0,0,1|1,0,1]=4 3294 B14R1.3150 Nc1cc(cc(c1O)SCC(=O)[O-])Br 62a_100020667443_100016071998 [0,1,0,0,0,1|1,0,1]=4 3295 B14R1.3150 Nc1cc(cc(c1O)SCC(=O)[O-])F 62a_100020667443_200011217456 [0,1,0,0,0,1|1,0,1]=4 3296 B14R1.3150 Nc1cc(cc(c1O)SCC(=O)[O-])F 62a_200011217456_100020667443 [0,1,0,0,0,1|1,0,1]=4 3297 B14R1.3150 O=C([O-])CNc1cc(cc(c1O)Br)Br 34a_100010781877_100020667443 [0,1,0,0,0,1|1,0,1]=4 3298 B14R1.3150 O=C([O-])CNc1cc(cc(c1O)Br)Cl 34a_106741647128_100020667443 [0,1,0,0,0,1|1,0,1]=4 3299 B14R1.3150 O=C([O-])CNc1cc(cc(c1O)Br)F 34a_200011217456_100020667443 [0,1,0,0,0,1|1,0,1]=4 3300 B14R1.3150 O=C([O-])CNc1cc(cc(c1O)Cl)Br 34a_100000694353_100020667443 [0,1,0,0,0,1|1,0,1]=4 3301 B14R1.3150 O=C([O-])CNc1cc(cc(c1O)Cl)Cl 34a_100000695819_100020667443 [0,1,0,0,0,1|1,0,1]=4 3302 B14R1.3150 O=C([O-])CNc1cc(cc(c1O)F)Br 34a_100011217383_100020667443 [0,1,0,0,0,1|1,0,1]=4 3303 B14R1.3150 O=C([O-])CNc1cc(cc(c1O)F)F 34a_100015205836_100020667443 [0,1,0,0,0,1|1,0,1]=4 3304 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)Br)F 62a_100020667443_200013085147 [0,1,0,0,0,1|1,0,1]=4 3305 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)Br)F 62a_200013085147_100020667443 [0,1,0,0,0,1|1,0,1]=4 3306 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)Cl)Cl 62a_100020667443_200012339341 [0,1,0,0,0,1|1,0,1]=4 3307 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)Cl)Cl 62a_200012339341_100020667443 [0,1,0,0,0,1|1,0,1]=4 3308 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)F)Br 62a_100013354677_100020667443 [0,1,0,0,0,1|1,0,1]=4 3309 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)F)Br 62a_100020667443_100013354677 [0,1,0,0,0,1|1,0,1]=4 3310 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)F)F 62a_100000688693_100020667443 [0,1,0,0,0,1|1,0,1]=4 3311 B14R1.3150 O=C([O-])CSc1cc(cc(c1O)F)F 62a_100020667443_100000688693 [0,1,0,0,0,1|1,0,1]=4 3312 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Br)O 62a_100009814033_100012339312 [0,1,0,0,0,1|2,0,0]=4 3313 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Br)O 62a_100012339312_100009814033 [0,1,0,0,0,1|2,0,0]=4 3314 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1C)O 62a_100009814033_100011380479 [0,1,0,0,0,1|2,0,0]=4 3315 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1C)O 62a_100011380479_100009814033 [0,1,0,0,0,1|2,0,0]=4 3316 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Cl)O 62a_100000049588_100009814033 [0,1,0,0,0,1|2,0,0]=4 3317 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Cl)O 62a_100009814033_100000049588 [0,1,0,0,0,1|2,0,0]=4 3318 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1F)O 62a_100000693481_100009814033 [0,1,0,0,0,1|2,0,0]=4 3319 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1F)O 62a_100009814033_100000693481 [0,1,0,0,0,1|2,0,0]=4 3320 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1N)O 62a_100009814033_100012001276 [0,1,0,0,0,1|2,0,0]=4 3321 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1N)O 62a_100012001276_100009814033 [0,1,0,0,0,1|2,0,0]=4 3322 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)Br 62a_100009814033_100012355227 [0,1,0,0,0,1|2,0,0]=4 3323 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)Br 62a_100012355227_100009814033 [0,1,0,0,0,1|2,0,0]=4 3324 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)C 62a_100000765521_100009814033 [0,1,0,0,0,1|2,0,0]=4 3325 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)C 62a_100009814033_100000765521 [0,1,0,0,0,1|2,0,0]=4 3326 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)Cl 62a_100009814033_100011356953 [0,1,0,0,0,1|2,0,0]=4 3327 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)Cl 62a_100011356953_100009814033 [0,1,0,0,0,1|2,0,0]=4 3328 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)F 62a_100000211999_100009814033 [0,1,0,0,0,1|2,0,0]=4 3329 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)F 62a_100009814033_100000211999 [0,1,0,0,0,1|2,0,0]=4 3330 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)N 62a_100009814033_100011534360 [0,1,0,0,0,1|2,0,0]=4 3331 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)N 62a_100011534360_100009814033 [0,1,0,0,0,1|2,0,0]=4 3332 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)O 62a_100009814033_100009813629 [0,1,0,0,0,1|1,0,0]=3 3333 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)Br 240690a_100011602694_100015343762 [0,1,0,0,0,1|2,0,0]=4 3334 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)Br 527a_100011602694_100103153847 [0,1,0,0,0,1|2,0,0]=4 3335 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)Cl 240690a_100000712467_100015343762 [0,1,0,0,0,1|2,0,0]=4 3336 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)Cl 527a_100000712467_100103153847 [0,1,0,0,0,1|2,0,0]=4 3337 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)F 240690a_114855342409_100015343762 [0,1,0,0,0,1|2,0,0]=4 3338 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)F 527a_114855342409_100103153847 [0,1,0,0,0,1|2,0,0]=4 3339 B14R1.4474 CC(Nc1cc(ccc1Br)O)C(=O)N 34a_100011999798_100000702099 [0,1,0,0,0,1|2,0,0]=4 3340 B14R1.4474 CC(Nc1cc(ccc1Cl)O)C(=O)N 34a_100011934297_100000702099 [0,1,0,0,0,1|2,0,0]=4 3341 B14R1.4474 CC(Nc1cc(ccc1F)O)C(=O)N 34a_100012017239_100000702099 [0,1,0,0,0,1|2,0,0]=4 3342 B14R1.4474 CC(Nc1cc(ccc1O)Br)C(=O)N 34a_100000752626_100000702099 [0,1,0,0,0,1|2,0,0]=4 3343 B14R1.4474 CC(Nc1cc(ccc1O)Cl)C(=O)N 34a_100000210500_100000702099 [0,1,0,0,0,1|2,0,0]=4 3344 B14R1.4474 CC(Nc1cc(ccc1O)F)C(=O)N 34a_100000759472_100000702099 [0,1,0,0,0,1|2,0,0]=4 3345 B14R1.4474 CC(Sc1cc(ccc1Br)O)C(=O)N 62a_100000702099_100012339312 [0,1,0,0,0,1|2,0,0]=4 3346 B14R1.4474 CC(Sc1cc(ccc1Br)O)C(=O)N 62a_100012339312_100000702099 [0,1,0,0,0,1|2,0,0]=4 3347 B14R1.4474 CC(Sc1cc(ccc1Cl)O)C(=O)N 62a_100000049588_100000702099 [0,1,0,0,0,1|2,0,0]=4 3348 B14R1.4474 CC(Sc1cc(ccc1Cl)O)C(=O)N 62a_100000702099_100000049588 [0,1,0,0,0,1|2,0,0]=4 3349 B14R1.4474 CC(Sc1cc(ccc1F)O)C(=O)N 62a_100000693481_100000702099 [0,1,0,0,0,1|2,0,0]=4 3350 B14R1.4474 CC(Sc1cc(ccc1F)O)C(=O)N 62a_100000702099_100000693481 [0,1,0,0,0,1|2,0,0]=4 3351 B14R1.4474 CC(Sc1cc(ccc1N)O)C(=O)N 62a_100000702099_100012001276 [0,1,0,0,0,1|2,0,0]=4 3352 B14R1.4474 CC(Sc1cc(ccc1N)O)C(=O)N 62a_100012001276_100000702099 [0,1,0,0,0,1|2,0,0]=4 3353 B14R1.4474 CC(Sc1cc(ccc1O)Br)C(=O)N 62a_100000702099_100012355227 [0,1,0,0,0,1|2,0,0]=4 3354 B14R1.4474 CC(Sc1cc(ccc1O)Br)C(=O)N 62a_100012355227_100000702099 [0,1,0,0,0,1|2,0,0]=4 3355 B14R1.4474 CC(Sc1cc(ccc1O)Cl)C(=O)N 62a_100000702099_100011356953 [0,1,0,0,0,1|2,0,0]=4 3356 B14R1.4474 CC(Sc1cc(ccc1O)Cl)C(=O)N 62a_100011356953_100000702099 [0,1,0,0,0,1|2,0,0]=4 3357 B14R1.4474 CC(Sc1cc(ccc1O)F)C(=O)N 62a_100000211999_100000702099 [0,1,0,0,0,1|2,0,0]=4 3358 B14R1.4474 CC(Sc1cc(ccc1O)F)C(=O)N 62a_100000702099_100000211999 [0,1,0,0,0,1|2,0,0]=4 3359 B14R1.4474 CC(Sc1cc(ccc1O)N)C(=O)N 62a_100000702099_100011534360 [0,1,0,0,0,1|2,0,0]=4 3360 B14R1.4474 CC(Sc1cc(ccc1O)N)C(=O)N 62a_100011534360_100000702099 [0,1,0,0,0,1|2,0,0]=4 3361 B14R1.4474 CC(Sc1cc(ccc1O)O)C(=O)N 62a_100000702099_100009813629 [0,1,0,0,0,1|1,0,0]=3 3362 B14R1.4474 Cc1ccc(c(c1)NC(C)C(=O)N)O 34a_100011215204_100000702099 [0,1,0,0,0,1|2,0,0]=4 3363 B14R1.4474 Cc1ccc(c(c1)NC(F)C(=O)N)O 34a_100011215204_100009813875 [0,1,0,0,0,1|2,0,0]=4 3364 B14R1.4474 Cc1ccc(c(c1)NC(F)C(=O)[O-])O 34a_100011215204_100020610796 [0,1,0,0,0,1|1,0,1]=4 3365 B14R1.4474 Cc1ccc(c(c1)SC(C)C(=O)N)O 62a_100000702099_100000765521 [0,1,0,0,0,1|2,0,0]=4 3366 B14R1.4474 Cc1ccc(c(c1)SC(C)C(=O)N)O 62a_100000765521_100000702099 [0,1,0,0,0,1|2,0,0]=4 3367 B14R1.4474 Cc1ccc(c(c1)SC(F)C(=O)N)O 62a_100000765521_100009813875 [0,1,0,0,0,1|2,0,0]=4 3368 B14R1.4474 Cc1ccc(c(c1)SC(F)C(=O)N)O 62a_100009813875_100000765521 [0,1,0,0,0,1|2,0,0]=4 3369 B14R1.4474 Cc1ccc(c(c1)SC(F)C(=O)[O-])O 62a_100000765521_100020610796 [0,1,0,0,0,1|1,0,1]=4 3370 B14R1.4474 Cc1ccc(c(c1)SC(F)C(=O)[O-])O 62a_100020610796_100000765521 [0,1,0,0,0,1|1,0,1]=4 3371 B14R1.4474 Cc1ccc(cc1NC(C)C(=O)N)O 34a_100011216113_100000702099 [0,1,0,0,0,1|2,0,0]=4 3372 B14R1.4474 Cc1ccc(cc1NC(F)C(=O)N)O 34a_100011216113_100009813875 [0,1,0,0,0,1|2,0,0]=4 3373 B14R1.4474 Cc1ccc(cc1NC(F)C(=O)[O-])O 34a_100011216113_100020610796 [0,1,0,0,0,1|1,0,1]=4 3374 B14R1.4474 Cc1ccc(cc1SC(C)C(=O)N)O 62a_100000702099_100011380479 [0,1,0,0,0,1|2,0,0]=4 3375 B14R1.4474 Cc1ccc(cc1SC(C)C(=O)N)O 62a_100011380479_100000702099 [0,1,0,0,0,1|2,0,0]=4 3376 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)N)O 62a_100009813875_100011380479 [0,1,0,0,0,1|2,0,0]=4 3377 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)N)O 62a_100011380479_100009813875 [0,1,0,0,0,1|2,0,0]=4 3378 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)[O-])O 62a_100011380479_100020610796 [0,1,0,0,0,1|1,0,1]=4 3379 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)[O-])O 62a_100020610796_100011380479 [0,1,0,0,0,1|1,0,1]=4 3380 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1Br)O 34a_100011999798_100009813875 [0,1,0,0,0,1|2,0,0]=4 3381 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1Cl)O 34a_100011934297_100009813875 [0,1,0,0,0,1|2,0,0]=4 3382 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1F)O 34a_100012017239_100009813875 [0,1,0,0,0,1|2,0,0]=4 3383 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1O)Br 34a_100000752626_100009813875 [0,1,0,0,0,1|2,0,0]=4 3384 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1O)Cl 34a_100000210500_100009813875 [0,1,0,0,0,1|2,0,0]=4 3385 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1O)F 34a_100000759472_100009813875 [0,1,0,0,0,1|2,0,0]=4 3386 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Br)O 62a_100009813875_100012339312 [0,1,0,0,0,1|2,0,0]=4 3387 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Br)O 62a_100012339312_100009813875 [0,1,0,0,0,1|2,0,0]=4 3388 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Cl)O 62a_100000049588_100009813875 [0,1,0,0,0,1|2,0,0]=4 3389 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Cl)O 62a_100009813875_100000049588 [0,1,0,0,0,1|2,0,0]=4 3390 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1F)O 62a_100000693481_100009813875 [0,1,0,0,0,1|2,0,0]=4 3391 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1F)O 62a_100009813875_100000693481 [0,1,0,0,0,1|2,0,0]=4 3392 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1N)O 62a_100009813875_100012001276 [0,1,0,0,0,1|2,0,0]=4 3393 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1N)O 62a_100012001276_100009813875 [0,1,0,0,0,1|2,0,0]=4 3394 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)Br 62a_100009813875_100012355227 [0,1,0,0,0,1|2,0,0]=4 3395 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)Br 62a_100012355227_100009813875 [0,1,0,0,0,1|2,0,0]=4 3396 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)Cl 62a_100009813875_100011356953 [0,1,0,0,0,1|2,0,0]=4 3397 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)Cl 62a_100011356953_100009813875 [0,1,0,0,0,1|2,0,0]=4 3398 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)F 62a_100000211999_100009813875 [0,1,0,0,0,1|2,0,0]=4 3399 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)F 62a_100009813875_100000211999 [0,1,0,0,0,1|2,0,0]=4 3400 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)N 62a_100009813875_100011534360 [0,1,0,0,0,1|2,0,0]=4 3401 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)N 62a_100011534360_100009813875 [0,1,0,0,0,1|2,0,0]=4 3402 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)O 62a_100009813875_100009813629 [0,1,0,0,0,1|1,0,0]=3 3403 B14R1.4474 Nc1ccc(c(c1)SC(F)C(=O)[O-])O 62a_100011534360_100020610796 [0,1,0,0,0,1|1,0,1]=4 3404 B14R1.4474 Nc1ccc(c(c1)SC(F)C(=O)[O-])O 62a_100020610796_100011534360 [0,1,0,0,0,1|1,0,1]=4 3405 B14R1.4474 Nc1ccc(cc1SC(F)C(=O)[O-])O 62a_100012001276_100020610796 [0,1,0,0,0,1|1,0,1]=4 3406 B14R1.4474 Nc1ccc(cc1SC(F)C(=O)[O-])O 62a_100020610796_100012001276 [0,1,0,0,0,1|1,0,1]=4 3407 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1Br)O 34a_100011999798_100020610796 [0,1,0,0,0,1|1,0,1]=4 3408 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1Cl)O 34a_100011934297_100020610796 [0,1,0,0,0,1|1,0,1]=4 3409 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1F)O 34a_100012017239_100020610796 [0,1,0,0,0,1|1,0,1]=4 3410 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1O)Br 34a_100000752626_100020610796 [0,1,0,0,0,1|1,0,1]=4 3411 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1O)Cl 34a_100000210500_100020610796 [0,1,0,0,0,1|1,0,1]=4 3412 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1O)F 34a_100000759472_100020610796 [0,1,0,0,0,1|1,0,1]=4 3413 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Br)O 62a_100012339312_100020610796 [0,1,0,0,0,1|1,0,1]=4 3414 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Br)O 62a_100020610796_100012339312 [0,1,0,0,0,1|1,0,1]=4 3415 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Cl)O 62a_100000049588_100020610796 [0,1,0,0,0,1|1,0,1]=4 3416 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Cl)O 62a_100020610796_100000049588 [0,1,0,0,0,1|1,0,1]=4 3417 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1F)O 62a_100000693481_100020610796 [0,1,0,0,0,1|1,0,1]=4 3418 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1F)O 62a_100020610796_100000693481 [0,1,0,0,0,1|1,0,1]=4 3419 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)Br 62a_100012355227_100020610796 [0,1,0,0,0,1|1,0,1]=4 3420 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)Br 62a_100020610796_100012355227 [0,1,0,0,0,1|1,0,1]=4 3421 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)Cl 62a_100011356953_100020610796 [0,1,0,0,0,1|1,0,1]=4 3422 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)Cl 62a_100020610796_100011356953 [0,1,0,0,0,1|1,0,1]=4 3423 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)F 62a_100000211999_100020610796 [0,1,0,0,0,1|1,0,1]=4 3424 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)F 62a_100020610796_100000211999 [0,1,0,0,0,1|1,0,1]=4 3425 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)O 62a_100020610796_100009813629 [0,1,0,0,0,1|0,0,1]=3 3426 B14R1.6036 Cc1cc(c(cc1Br)NCC(=O)N)O 34a_200010235796_100000187820 [0,1,0,0,0,1|2,0,0]=4 3427 B14R1.6036 Cc1cc(c(cc1Br)NCC(=O)N)O 7a_200010235796_100000187820 [0,1,0,0,0,1|2,0,0]=4 3428 B14R1.6036 Cc1cc(c(cc1Br)NCC(=O)[O-])O 34a_200010235796_100020667443 [0,1,0,0,0,1|1,0,1]=4 3429 B14R1.6036 Cc1cc(c(cc1Br)O)NCC(=O)N 34a_200010107346_100000187820 [0,1,0,0,0,1|2,0,0]=4 3430 B14R1.6036 Cc1cc(c(cc1Br)O)NCC(=O)[O-] 34a_200010107346_100020667443 [0,1,0,0,0,1|1,0,1]=4 3431 B14R1.6036 Cc1cc(c(cc1C)NCC(=O)N)O 34a_100133014134_100000187820 [0,1,0,0,0,1|2,0,0]=4 3432 B14R1.6036 Cc1cc(c(cc1C)NCC(=O)N)O 7a_100133014134_100000187820 [0,1,0,0,0,1|2,0,0]=4 3433 B14R1.6036 Cc1cc(c(cc1C)NCC(=O)[O-])O 34a_100133014134_100020667443 [0,1,0,0,0,1|1,0,1]=4 3434 B14R1.6036 Cc1cc(c(cc1C)SCC(=O)N)O 62a_100000747473_100009814663 [0,1,0,0,0,1|2,0,0]=4 3435 B14R1.6036 Cc1cc(c(cc1C)SCC(=O)N)O 62a_100009814663_100000747473 [0,1,0,0,0,1|2,0,0]=4 3436 B14R1.6036 Cc1cc(c(cc1C)SCC(=O)[O-])O 62a_100009814663_100020667443 [0,1,0,0,0,1|1,0,1]=4 3437 B14R1.6036 Cc1cc(c(cc1C)SCC(=O)[O-])O 62a_100020667443_100009814663 [0,1,0,0,0,1|1,0,1]=4 3438 B14R1.6036 Cc1cc(c(cc1Cl)NCC(=O)N)O 34a_100000091707_100000187820 [0,1,0,0,0,1|2,0,0]=4 3439 B14R1.6036 Cc1cc(c(cc1Cl)NCC(=O)[O-])O 34a_100000091707_100020667443 [0,1,0,0,0,1|1,0,1]=4 3440 B14R1.6036 Cc1cc(c(cc1F)O)NCC(=O)N 34a_100012022779_100000187820 [0,1,0,0,0,1|2,0,0]=4 3441 B14R1.6036 Cc1cc(c(cc1F)O)NCC(=O)N 7a_100012022779_100000187820 [0,1,0,0,0,1|2,0,0]=4 3442 B14R1.6036 Cc1cc(c(cc1F)O)NCC(=O)[O-] 34a_100012022779_100020667443 [0,1,0,0,0,1|1,0,1]=4 3443 B14R1.6036 Cc1cc(c(cc1NCC(=O)N)O)Cl 34a_100009961766_100000187820 [0,1,0,0,0,1|2,0,0]=4 3444 B14R1.6036 Cc1cc(c(cc1NCC(=O)N)O)Cl 7a_100009961766_100000187820 [0,1,0,0,0,1|2,0,0]=4 3445 B14R1.6036 Cc1cc(c(cc1NCC(=O)[O-])O)Cl 34a_100009961766_100020667443 [0,1,0,0,0,1|1,0,1]=4 3446 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)Cl 34a_100000092876_100000187820 [0,1,0,0,0,1|2,0,0]=4 3447 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)Cl 7a_100000092876_100000187820 [0,1,0,0,0,1|2,0,0]=4 3448 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)F 34a_100000117193_100000187820 [0,1,0,0,0,1|2,0,0]=4 3449 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)N)F 7a_100000117193_100000187820 [0,1,0,0,0,1|2,0,0]=4 3450 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)[O-])Cl 34a_100000092876_100020667443 [0,1,0,0,0,1|1,0,1]=4 3451 B14R1.6036 Cc1cc(c(cc1O)NCC(=O)[O-])F 34a_100000117193_100020667443 [0,1,0,0,0,1|1,0,1]=4 3452 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)N)F 62a_100000747473_100014242602 [0,1,0,0,0,1|2,0,0]=4 3453 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)N)F 62a_100014242602_100000747473 [0,1,0,0,0,1|2,0,0]=4 3454 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)[O-])F 62a_100014242602_100020667443 [0,1,0,0,0,1|1,0,1]=4 3455 B14R1.6036 Cc1cc(c(cc1O)SCC(=O)[O-])F 62a_100020667443_100014242602 [0,1,0,0,0,1|1,0,1]=4 3456 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)F 62a_100000747473_100010068922 [0,1,0,0,0,1|2,0,0]=4 3457 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)F 62a_100010068922_100000747473 [0,1,0,0,0,1|2,0,0]=4 3458 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)N 62a_100000747473_200010107346 [0,1,0,0,0,1|2,0,0]=4 3459 B14R1.6036 Cc1cc(c(cc1SCC(=O)N)O)N 62a_200010107346_100000747473 [0,1,0,0,0,1|2,0,0]=4 3460 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)F 62a_100010068922_100020667443 [0,1,0,0,0,1|1,0,1]=4 3461 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)F 62a_100020667443_100010068922 [0,1,0,0,0,1|1,0,1]=4 3462 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)N 62a_100020667443_200010107346 [0,1,0,0,0,1|1,0,1]=4 3463 B14R1.6036 Cc1cc(c(cc1SCC(=O)[O-])O)N 62a_200010107346_100020667443 [0,1,0,0,0,1|1,0,1]=4 3464 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100000187820 [0,1,0,0,0,1|2,0,0]=4 3465 B14R1.6036 NC(=O)CNc1cc(c(cc1Cl)Cl)O 7a_100000037174_100000187820 [0,1,0,0,0,1|2,0,0]=4 3466 B14R1.6036 NC(=O)CNc1cc(c(cc1F)Cl)O 34a_100000042052_100000187820 [0,1,0,0,0,1|2,0,0]=4 3467 B14R1.6036 NC(=O)CNc1cc(c(cc1F)Cl)O 7a_100000042052_100000187820 [0,1,0,0,0,1|2,0,0]=4 3468 B14R1.6036 NC(=O)CNc1cc(c(cc1F)F)O 34a_100011219470_100000187820 [0,1,0,0,0,1|2,0,0]=4 3469 B14R1.6036 NC(=O)CNc1cc(c(cc1F)F)O 7a_100011219470_100000187820 [0,1,0,0,0,1|2,0,0]=4 3470 B14R1.6036 NC(=O)CNc1cc(c(cc1O)Br)Br 7a_200010781931_100000187820 [0,1,0,0,0,1|2,0,0]=4 3471 B14R1.6036 NC(=O)CNc1cc(c(cc1O)Br)F 34a_100013038943_100000187820 [0,1,0,0,0,1|2,0,0]=4 3472 B14R1.6036 NC(=O)CNc1cc(c(cc1O)Br)F 7a_100013038943_100000187820 [0,1,0,0,0,1|2,0,0]=4 3473 B14R1.6036 NC(=O)CNc1cc(c(cc1O)Cl)Br 34a_100013488937_100000187820 [0,1,0,0,0,1|2,0,0]=4 3474 B14R1.6036 NC(=O)CNc1cc(c(cc1O)Cl)Br 7a_100013488937_100000187820 [0,1,0,0,0,1|2,0,0]=4 3475 B14R1.6036 NC(=O)CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100000187820 [0,1,0,0,0,1|2,0,0]=4 3476 B14R1.6036 NC(=O)CNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100000187820 [0,1,0,0,0,1|2,0,0]=4 3477 B14R1.6036 NC(=O)CNc1cc(c(cc1O)F)Br 34a_100012359894_100000187820 [0,1,0,0,0,1|2,0,0]=4 3478 B14R1.6036 NC(=O)CNc1cc(c(cc1O)F)Br 7a_100012359894_100000187820 [0,1,0,0,0,1|2,0,0]=4 3479 B14R1.6036 NC(=O)CNc1cc(c(cc1O)F)F 2230a_106722365970_100000747473 [0,1,0,0,0,1|2,0,0]=4 3480 B14R1.6036 NC(=O)CNc1cc(c(cc1O)F)F 34a_106722365970_100000187820 [0,1,0,0,0,1|2,0,0]=4 3481 B14R1.6036 NC(=O)CNc1cc(c(cc1O)F)F 7a_106722365970_100000187820 [0,1,0,0,0,1|2,0,0]=4 3482 B14R1.6036 NC(=O)CSc1cc(c(cc1Br)Cl)O 62a_100000747473_100021297947 [0,1,0,0,0,1|2,0,0]=4 3483 B14R1.6036 NC(=O)CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100000747473 [0,1,0,0,0,1|2,0,0]=4 3484 B14R1.6036 NC(=O)CSc1cc(c(cc1F)Cl)O 62a_100000747473_100010735246 [0,1,0,0,0,1|2,0,0]=4 3485 B14R1.6036 NC(=O)CSc1cc(c(cc1F)Cl)O 62a_100010735246_100000747473 [0,1,0,0,0,1|2,0,0]=4 3486 B14R1.6036 NC(=O)CSc1cc(c(cc1F)F)O 62a_100000747473_100012457948 [0,1,0,0,0,1|2,0,0]=4 3487 B14R1.6036 NC(=O)CSc1cc(c(cc1F)F)O 62a_100012457948_100000747473 [0,1,0,0,0,1|2,0,0]=4 3488 B14R1.6036 NC(=O)CSc1cc(c(cc1F)N)O 62a_100000747473_100013038943 [0,1,0,0,0,1|2,0,0]=4 3489 B14R1.6036 NC(=O)CSc1cc(c(cc1F)N)O 62a_100013038943_100000747473 [0,1,0,0,0,1|2,0,0]=4 3490 B14R1.6036 NC(=O)CSc1cc(c(cc1O)F)F 62a_100000747473_100009813768 [0,1,0,0,0,1|2,0,0]=4 3491 B14R1.6036 NC(=O)CSc1cc(c(cc1O)F)F 62a_100009813768_100000747473 [0,1,0,0,0,1|2,0,0]=4 3492 B14R1.6036 Nc1cc(c(cc1O)SCC(=O)[O-])F 62a_100013038943_100020667443 [0,1,0,0,0,1|1,0,1]=4 3493 B14R1.6036 Nc1cc(c(cc1O)SCC(=O)[O-])F 62a_100020667443_100013038943 [0,1,0,0,0,1|1,0,1]=4 3494 B14R1.6036 O=C([O-])CNc1cc(c(cc1Cl)Cl)O 34a_100000037174_100020667443 [0,1,0,0,0,1|1,0,1]=4 3495 B14R1.6036 O=C([O-])CNc1cc(c(cc1F)Cl)O 34a_100000042052_100020667443 [0,1,0,0,0,1|1,0,1]=4 3496 B14R1.6036 O=C([O-])CNc1cc(c(cc1F)F)O 34a_100011219470_100020667443 [0,1,0,0,0,1|1,0,1]=4 3497 B14R1.6036 O=C([O-])CNc1cc(c(cc1O)Br)F 34a_100013038943_100020667443 [0,1,0,0,0,1|1,0,1]=4 3498 B14R1.6036 O=C([O-])CNc1cc(c(cc1O)Cl)Br 34a_100013488937_100020667443 [0,1,0,0,0,1|1,0,1]=4 3499 B14R1.6036 O=C([O-])CNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100020667443 [0,1,0,0,0,1|1,0,1]=4 3500 B14R1.6036 O=C([O-])CNc1cc(c(cc1O)F)Br 34a_100012359894_100020667443 [0,1,0,0,0,1|1,0,1]=4 3501 B14R1.6036 O=C([O-])CNc1cc(c(cc1O)F)F 34a_106722365970_100020667443 [0,1,0,0,0,1|1,0,1]=4 3502 B14R1.6036 O=C([O-])CSc1cc(c(cc1Br)Cl)O 62a_100020667443_100021297947 [0,1,0,0,0,1|1,0,1]=4 3503 B14R1.6036 O=C([O-])CSc1cc(c(cc1Br)Cl)O 62a_100021297947_100020667443 [0,1,0,0,0,1|1,0,1]=4 3504 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)Cl)O 62a_100010735246_100020667443 [0,1,0,0,0,1|1,0,1]=4 3505 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)Cl)O 62a_100020667443_100010735246 [0,1,0,0,0,1|1,0,1]=4 3506 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)F)O 62a_100012457948_100020667443 [0,1,0,0,0,1|1,0,1]=4 3507 B14R1.6036 O=C([O-])CSc1cc(c(cc1F)F)O 62a_100020667443_100012457948 [0,1,0,0,0,1|1,0,1]=4 3508 B14R1.6036 O=C([O-])CSc1cc(c(cc1O)F)F 62a_100009813768_100020667443 [0,1,0,0,0,1|1,0,1]=4 3509 B14R1.6036 O=C([O-])CSc1cc(c(cc1O)F)F 62a_100020667443_100009813768 [0,1,0,0,0,1|1,0,1]=4 3510 B14R1.6052 C=C(C)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000748629 [0,1,0,0,0,1|2,0,0]=4 3511 B14R1.6052 C=C(F)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100009893438 [0,1,0,0,0,1|2,0,0]=4 3512 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000070787_200009828000 [0,1,0,0,0,1|2,0,0]=4 3513 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000070787_200009816716 [0,1,0,0,0,1|2,0,0]=4 3514 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000070787_100000047744 [0,1,0,0,0,1|2,0,0]=4 3515 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000070787_100009814097 [0,1,0,0,0,1|1,0,0]=3 3516 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1O)F 240690a_100160469477_100015343762 [0,1,0,0,0,1|2,0,0]=4 3517 B14R1.6052 CC(=O)N[C@@H](C)c1cc(ccc1O)F 527a_100160469477_100103153847 [0,1,0,0,0,1|2,0,0]=4 3518 B14R1.6052 CC(=O)N[C@H](C)c1cc(ccc1O)Cl 240690a_100011853016_100015343762 [0,1,0,0,0,1|2,0,0]=4 3519 B14R1.6052 CC(=O)N[C@H](C)c1cc(ccc1O)Cl 527a_100011853016_100103153847 [0,1,0,0,0,1|2,0,0]=4 3520 B14R1.6052 CC(O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100011218427 [0,1,0,0,0,1|1,0,1]=4 3521 B14R1.6052 Cc1ccc(c(c1)C(=O)CC(=O)N)O 1458a_100000229998_100000187820 [0,1,0,0,0,1|2,0,0]=4 3522 B14R1.6052 Cc1ccc(c(c1)C(=O)CC(=O)[O-])O 1458a_100000229998_100020667443 [0,1,0,0,0,1|1,0,1]=4 3523 B14R1.6052 Cc1ccc(cc1C(=O)CC(=O)N)O 1458a_100000687834_100000187820 [0,1,0,0,0,1|2,0,0]=4 3524 B14R1.6052 Cc1ccc(cc1C(=O)CC(=O)[O-])O 1458a_100000687834_100020667443 [0,1,0,0,0,1|1,0,1]=4 3525 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000187820 [0,1,0,0,0,1|2,0,0]=4 3526 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000187820 [0,1,0,0,0,1|2,0,0]=4 3527 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1F)O 1458a_100000037260_100000187820 [0,1,0,0,0,1|2,0,0]=4 3528 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1I)O 1458a_200009995701_100000187820 [0,1,0,0,0,1|2,0,0]=4 3529 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000187820 [0,1,0,0,0,1|2,0,0]=4 3530 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000187820 [0,1,0,0,0,1|2,0,0]=4 3531 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000742286_100000187820 [0,1,0,0,0,1|2,0,0]=4 3532 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)I 1458a_100000212111_100000187820 [0,1,0,0,0,1|2,0,0]=4 3533 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000187820 [0,1,0,0,0,1|1,0,0]=3 3534 B14R1.6052 O=C(C[N+](=O)[O-])c1cc(ccc1O)O 1458a_100000758025_100000761209 [0,1,0,0,0,1|1,0,1]=4 3535 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100020667443 [0,1,0,0,0,1|1,0,1]=4 3536 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100020667443 [0,1,0,0,0,1|1,0,1]=4 3537 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1F)O 1458a_100000037260_100020667443 [0,1,0,0,0,1|1,0,1]=4 3538 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1I)O 1458a_200009995701_100020667443 [0,1,0,0,0,1|1,0,1]=4 3539 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100020667443 [0,1,0,0,0,1|1,0,1]=4 3540 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100020667443 [0,1,0,0,0,1|1,0,1]=4 3541 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)F 1458a_100000742286_100020667443 [0,1,0,0,0,1|1,0,1]=4 3542 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)I 1458a_100000212111_100020667443 [0,1,0,0,0,1|1,0,1]=4 3543 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)O 1458a_100000758025_100020667443 [0,1,0,0,0,1|0,0,1]=3 3544 B14R1.6054 Cc1c(ccc(c1NCC(=O)N)O)Br 34a_100013039247_100000187820 [0,1,0,0,0,1|2,0,0]=4 3545 B14R1.6054 Cc1c(ccc(c1NCC(=O)[O-])O)Br 34a_100013039247_100020667443 [0,1,0,0,0,1|1,0,1]=4 3546 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)O 62a_100000747473_100010659238 [0,1,0,0,0,1|2,0,0]=4 3547 B14R1.6054 Cc1ccc(c(c1SCC(=O)N)C)O 62a_100010659238_100000747473 [0,1,0,0,0,1|2,0,0]=4 3548 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)O 62a_100010659238_100020667443 [0,1,0,0,0,1|1,0,1]=4 3549 B14R1.6054 Cc1ccc(c(c1SCC(=O)[O-])C)O 62a_100020667443_100010659238 [0,1,0,0,0,1|1,0,1]=4 3550 B14R1.6054 NC(=O)CNc1c(ccc(c1Cl)O)Cl 34a_100016988457_100000187820 [0,1,0,0,0,1|2,0,0]=4 3551 B14R1.6054 NC(=O)CNc1c(ccc(c1Cl)O)Cl 7a_100016988457_100000187820 [0,1,0,0,0,1|2,0,0]=4 3552 B14R1.6054 O=C([O-])CNc1c(ccc(c1Cl)O)Cl 34a_100016988457_100020667443 [0,1,0,0,0,1|1,0,1]=4 3553 B14R1.6073 CC(C)(O)CSc1cc(ccc1O)O 62a_100000764493_100009813629 [0,1,0,0,0,1|1,0,1]=4 3554 B14R1.6073 NS(=O)(=O)CSc1cc(ccc1O)O 62a_100000741382_100009813629 [0,1,0,0,0,1|1,0,1]=4 3555 B14R1.6073 O=S(=O)([O-])CSc1cc(ccc1O)O 62a_100009817235_100009813629 [0,1,0,0,0,1|1,0,1]=4 3556 B14R1.489 C=C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100015277604_200010006938 [0,2,0,0,0,0|2,0,0]=4 3557 B14R1.489 CC(=O)Cc1cc(ccc1O)SCF 62a_100015361967_200010006938 [0,2,0,0,0,0|1,1,0]=4 3558 B14R1.489 CC(=O)Cc1cc(ccc1O)SCF 62a_200010006938_100015361967 [0,2,0,0,0,0|1,1,0]=4 3559 B14R1.489 CC=Cc1ccc(c(c1)CC(=O)C)O 271570a_100016259895_200010006938 [0,2,0,0,0,0|2,0,0]=4 3560 B14R1.489 CCSc1ccc(c(c1)CC(=O)C)O 62a_100000210202_200010006938 [0,2,0,0,0,0|1,1,0]=4 3561 B14R1.489 CCSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_100000210202 [0,2,0,0,0,0|1,1,0]=4 3562 B14R1.578 COc1cc(c(c(c1)NC(=O)C)O)Br 11a_200010008348_100015343762 [0,2,0,0,0,0|2,0,0]=4 3563 B14R1.578 COc1cc(c(c(c1)NC(=O)C)O)Br 22a_200010008348_100000070787 [0,2,0,0,0,0|2,0,0]=4 3564 B14R1.578 COc1cc(c(c(c1)NC(=O)C)O)Br 527a_200010008348_100103153847 [0,2,0,0,0,0|2,0,0]=4 3565 B14R1.676 C=C(C)c1ccc(c(c1)CC(=O)C)O 271570a_100000694244_200010006938 [0,2,0,0,0,0|2,0,0]=4 3566 B14R1.676 CC(=O)Cc1cc(ccc1F)B(O)O 1458a_100000070787_100011092044 [0,2,0,0,0,0|2,0,0]=4 3567 B14R1.676 CC(=O)Cc1cc(ccc1O)[N+](=O)[O-] 1458a_100000070787_200009813932 [0,2,0,0,0,0|1,0,1]=4 3568 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)C 1458a_100009814189_200000210301 [0,2,0,0,0,0|2,0,0]=4 3569 B14R1.881 COc1cc(c(cc1O)Br)CC(=O)[13CH3] 1458a_100009814189_200025704644 [0,2,0,0,0,0|2,0,0]=4 3570 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)Br 1458a_100000070787_200011099544 [0,2,0,0,0,0|2,0,0]=4 3571 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)Cl 1458a_100000061514_200000210301 [0,2,0,0,0,0|2,0,0]=4 3572 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)Cl 1458a_100000070787_100009814550 [0,2,0,0,0,0|2,0,0]=4 3573 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)F 1458a_100000062057_200000210301 [0,2,0,0,0,0|2,0,0]=4 3574 B14R1.2318 COc1ccc(c(c1F)CC(=O)C)F 1458a_100000070787_100009814547 [0,2,0,0,0,0|2,0,0]=4 3575 B14R1.2318 COc1ccc(c(c1F)CC(=O)[13CH3])Cl 1458a_100000061514_200025704644 [0,2,0,0,0,0|2,0,0]=4 3576 B14R1.2318 COc1ccc(c(c1F)CC(=O)[13CH3])F 1458a_100000062057_200025704644 [0,2,0,0,0,0|2,0,0]=4 3577 B14R1.3723 C=Cc1ccc(c(c1)CC(=O)C)OC 271570a_100011290941_200011493461 [0,2,0,0,0,0|2,0,0]=4 3578 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_100000205131 [0,2,0,0,0,0|1,0,0]=3 3579 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000212042_200000210301 [0,2,0,0,0,0|1,0,0]=3 3580 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 34a_200000075431_200000210301 [0,2,0,0,0,0|1,0,0]=3 3581 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 7a_200000075431_200000210301 [0,2,0,0,0,0|1,0,0]=3 3582 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 34a_200000075431_200025704644 [0,2,0,0,0,0|1,0,0]=3 3583 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 7a_200000075431_200025704644 [0,2,0,0,0,0|1,0,0]=3 3584 B14R1.3723 COc1ccc(c(c1)CC(=O)[13CH3])OC 1458a_100000212042_200025704644 [0,2,0,0,0,0|1,0,0]=3 3585 B14R1.3723 COc1ccc(c(c1)NC(=O)C)CO 22a_100011998734_100000070787 [0,2,0,0,0,0|2,0,0]=4 3586 B14R1.3723 COc1ccc(c(c1)NC(=O)C)CO 527a_100011998734_100103153847 [0,2,0,0,0,0|2,0,0]=4 3587 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 11a_100000184736_100015343762 [0,2,0,0,0,0|2,0,0]=4 3588 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 1626a_100000184736_100015343762 [0,2,0,0,0,0|2,0,0]=4 3589 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC 22a_100000184736_100000070787 [0,2,0,0,0,0|2,0,0]=4 3590 B14R1.3723 COc1ccc(cc1CC(=O)C)C=O 1458a_100000070787_100000028394 [0,2,0,0,0,0|1,0,1]=4 3591 B14R1.3723 COc1ccc(cc1CC(=O)C)SC 62a_200011493461_200000210301 [0,2,0,0,0,0|1,1,0]=4 3592 B14R1.3723 COc1ccc(cc1CC(=O)C)S[13CH3] 62a_200011493461_200025704644 [0,2,0,0,0,0|1,1,0]=4 3593 B14R1.3723 COc1ccc(cc1NC(=O)C)CO 22a_100011269841_100000070787 [0,2,0,0,0,0|2,0,0]=4 3594 B14R1.3724 C#CC(=O)Cc1cc(ccc1Br)OC 1458a_100000211873_100000761528 [0,2,0,0,0,0|2,0,0]=4 3595 B14R1.3724 C#CC(=O)Cc1cc(ccc1Cl)OC 1458a_100000211873_100000718613 [0,2,0,0,0,0|2,0,0]=4 3596 B14R1.3724 C#CC(=O)Cc1cc(ccc1F)OC 1458a_100000211873_100010243555 [0,2,0,0,0,0|2,0,0]=4 3597 B14R1.3724 C=CC(=O)Cc1cc(ccc1Br)OC 1458a_100000185746_100000761528 [0,2,0,0,0,0|2,0,0]=4 3598 B14R1.3724 C=CC(=O)Cc1cc(ccc1Cl)OC 1458a_100000185746_100000718613 [0,2,0,0,0,0|2,0,0]=4 3599 B14R1.3724 C=CC(=O)Cc1cc(ccc1F)OC 1458a_100000185746_100010243555 [0,2,0,0,0,0|2,0,0]=4 3600 B14R1.3724 C=CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000185746 [0,2,0,0,0,0|2,0,0]=4 3601 B14R1.3724 C=CC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000185746 [0,2,0,0,0,0|2,0,0]=4 3602 B14R1.3724 C=Cc1ccc(c(c1)CC(=O)OC)O 271570a_100011290941_100010185610 [0,2,0,0,0,0|1,0,0]=3 3603 B14R1.3724 CCC(=O)Cc1cc(ccc1Br)OC 1458a_100000210414_100000761528 [0,2,0,0,0,0|2,0,0]=4 3604 B14R1.3724 CCC(=O)Cc1cc(ccc1Br)OC 1458a_100000690513_100000210202 [0,2,0,0,0,0|2,0,0]=4 3605 B14R1.3724 CCC(=O)Cc1cc(ccc1Cl)OC 1458a_100000210414_100000718613 [0,2,0,0,0,0|2,0,0]=4 3606 B14R1.3724 CCC(=O)Cc1cc(ccc1Cl)OC 1458a_100010217559_100000210202 [0,2,0,0,0,0|2,0,0]=4 3607 B14R1.3724 CCC(=O)Cc1cc(ccc1F)OC 1458a_100000210414_100010243555 [0,2,0,0,0,0|2,0,0]=4 3608 B14R1.3724 CCC(=O)Cc1cc(ccc1F)OC 1458a_100009868546_100000210202 [0,2,0,0,0,0|2,0,0]=4 3609 B14R1.3724 CCC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000210414 [0,2,0,0,0,0|2,0,0]=4 3610 B14R1.3724 CCC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100000210414 [0,2,0,0,0,0|2,0,0]=4 3611 B14R1.3724 CCC(=O)Nc1cc(ccc1O)OC 22a_100000188146_100000210414 [0,2,0,0,0,0|2,0,0]=4 3612 B14R1.3724 CCC(=O)Nc1cc(ccc1O)OC 527a_100000188146_100000210414 [0,2,0,0,0,0|2,0,0]=4 3613 B14R1.3724 CCc1ccc(c(c1)NC(=O)CO)O 22a_100000765835_100000210174 [0,2,0,0,0,0|2,0,0]=4 3614 B14R1.3724 CCc1ccc(c(c1)NC(=O)CO)O 527a_100000765835_100000210174 [0,2,0,0,0,0|2,0,0]=4 3615 B14R1.3724 CNC(=O)Cc1cc(ccc1Br)OC 11a_106832991635_100000690513 [0,2,0,0,0,0|2,0,0]=4 3616 B14R1.3724 CNC(=O)Cc1cc(ccc1Br)OC 240690a_100102657272_100000690513 [0,2,0,0,0,0|2,0,0]=4 3617 B14R1.3724 CNC(=O)Cc1cc(ccc1Br)OC 527a_100102657272_100000690513 [0,2,0,0,0,0|2,0,0]=4 3618 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 11a_106832991635_100010217559 [0,2,0,0,0,0|2,0,0]=4 3619 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 1626a_100102657272_100010217559 [0,2,0,0,0,0|2,0,0]=4 3620 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 240690a_100102657272_100010217559 [0,2,0,0,0,0|2,0,0]=4 3621 B14R1.3724 CNC(=O)Cc1cc(ccc1Cl)OC 527a_100102657272_100010217559 [0,2,0,0,0,0|2,0,0]=4 3622 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 11a_106832991635_100009868546 [0,2,0,0,0,0|2,0,0]=4 3623 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 1626a_100102657272_100009868546 [0,2,0,0,0,0|2,0,0]=4 3624 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 240690a_100102657272_100009868546 [0,2,0,0,0,0|2,0,0]=4 3625 B14R1.3724 CNC(=O)Cc1cc(ccc1F)OC 527a_100102657272_100009868546 [0,2,0,0,0,0|2,0,0]=4 3626 B14R1.3724 CNC(=O)Nc1cc(ccc1O)OC 2430a_100000188146_100102657272 [0,2,0,0,0,0|2,0,0]=4 3627 B14R1.3724 COC(=O)Cc1cc(ccc1O)SC 62a_100010185610_200000210301 [0,2,0,0,0,0|0,1,0]=3 3628 B14R1.3724 COC(=O)Cc1cc(ccc1O)SC 62a_200000210301_100010185610 [0,2,0,0,0,0|0,1,0]=3 3629 B14R1.3724 COC(=O)Cc1cc(ccc1O)S[13CH3] 62a_100010185610_200025704644 [0,2,0,0,0,0|0,1,0]=3 3630 B14R1.3724 COC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100010185610 [0,2,0,0,0,0|0,1,0]=3 3631 B14R1.3724 COc1ccc(c(c1)CC(=O)CF)Br 1458a_100000690513_100015361967 [0,2,0,0,0,0|2,0,0]=4 3632 B14R1.3724 COc1ccc(c(c1)CC(=O)CF)Cl 1458a_100010217559_100015361967 [0,2,0,0,0,0|2,0,0]=4 3633 B14R1.3724 COc1ccc(c(c1)CC(=O)CF)F 1458a_100009868546_100015361967 [0,2,0,0,0,0|2,0,0]=4 3634 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)Br 1458a_100000210174_100000761528 [0,2,0,0,0,0|1,0,0]=3 3635 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100000718613 [0,2,0,0,0,0|1,0,0]=3 3636 B14R1.3724 COc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100010243555 [0,2,0,0,0,0|1,0,0]=3 3637 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)Br 22a_100000748603_100000210174 [0,2,0,0,0,0|2,0,0]=4 3638 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)C 22a_100000760359_100000210174 [0,2,0,0,0,0|2,0,0]=4 3639 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)C 527a_100000760359_100000210174 [0,2,0,0,0,0|2,0,0]=4 3640 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)Cl 22a_100000745576_100000210174 [0,2,0,0,0,0|2,0,0]=4 3641 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)F 22a_100000764331_100000210174 [0,2,0,0,0,0|2,0,0]=4 3642 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)F 527a_100000764331_100000210174 [0,2,0,0,0,0|2,0,0]=4 3643 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)I 22a_100000748021_100000210174 [0,2,0,0,0,0|2,0,0]=4 3644 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)O 22a_100000188146_100000210174 [0,2,0,0,0,0|1,0,0]=3 3645 B14R1.3724 COc1ccc(c(c1)NC(=O)CO)O 527a_100000188146_100000210174 [0,2,0,0,0,0|1,0,0]=3 3646 B14R1.3724 Cc1ccc(cc1NC(=O)CO)CO 22a_100000758420_100000210174 [0,2,0,0,0,0|2,0,0]=4 3647 B14R1.3724 N#Cc1ccc(c(c1)CC(=O)CO)Br 1458a_100000210174_100012145668 [0,2,0,0,0,0|2,0,0]=4 3648 B14R1.3724 N#Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100000239971 [0,2,0,0,0,0|2,0,0]=4 3649 B14R1.3724 N#Cc1ccc(c(c1)NC(=O)CO)O 22a_100000766272_100000210174 [0,2,0,0,0,0|2,0,0]=4 3650 B14R1.3724 N#Cc1ccc(c(c1)NC(=O)CO)O 527a_100000766272_100000210174 [0,2,0,0,0,0|2,0,0]=4 3651 B14R1.3724 O=C(CO)Nc1cc(ccc1F)CO 22a_102125399562_100000210174 [0,2,0,0,0,0|2,0,0]=4 3652 B14R1.3724 O=C(CO)Nc1cc(ccc1O)CO 22a_100000123545_100000210174 [0,2,0,0,0,0|1,0,0]=3 3653 B14R1.3724 O=C(CO)Nc1cc(ccc1O)CO 527a_100000123545_100000210174 [0,2,0,0,0,0|1,0,0]=3 3654 B14R1.2295 COc1cc(c(cc1CC(=O)C)F)F 1458a_100000070787_100009816015 [0,2,0,0,0,0|2,0,0]=4 3655 B14R1.2295 COc1cc(c(cc1OC(=O)C)O)F 271570a_203496583355_206258170532 [0,2,0,0,0,0|2,0,0]=4 3656 B14R1.20236 COC(=O)Cc1cc(c(cc1F)O)F 271570a_203496583355_200015289655 [0,2,0,0,0,0|2,0,0]=4 3657 B14R1.20236 Cc1cc(c(cc1Br)NC(=O)CO)O 22a_200010235796_100000210174 [0,2,0,0,0,0|2,0,0]=4 3658 B14R1.20236 Cc1cc(c(cc1Br)NC(=O)CO)O 527a_200010235796_100000210174 [0,2,0,0,0,0|2,0,0]=4 3659 B14R1.20236 Cc1cc(c(cc1Br)O)NC(=O)CO 22a_200010107346_100000210174 [0,2,0,0,0,0|2,0,0]=4 3660 B14R1.20236 Cc1cc(c(cc1Br)O)NC(=O)CO 527a_200010107346_100000210174 [0,2,0,0,0,0|2,0,0]=4 3661 B14R1.20236 Cc1cc(c(cc1C)NC(=O)CO)O 22a_100133014134_100000210174 [0,2,0,0,0,0|2,0,0]=4 3662 B14R1.20236 Cc1cc(c(cc1C)NC(=O)CO)O 527a_100133014134_100000210174 [0,2,0,0,0,0|2,0,0]=4 3663 B14R1.20236 Cc1cc(c(cc1Cl)NC(=O)CO)O 22a_100000091707_100000210174 [0,2,0,0,0,0|2,0,0]=4 3664 B14R1.20236 Cc1cc(c(cc1Cl)NC(=O)CO)O 527a_100000091707_100000210174 [0,2,0,0,0,0|2,0,0]=4 3665 B14R1.20236 Cc1cc(c(cc1F)F)CC(=O)CO 1458a_100000210174_100012347589 [0,2,0,0,0,0|2,0,0]=4 3666 B14R1.20236 Cc1cc(c(cc1F)O)NC(=O)CO 22a_100012022779_100000210174 [0,2,0,0,0,0|2,0,0]=4 3667 B14R1.20236 Cc1cc(c(cc1F)O)NC(=O)CO 527a_100012022779_100000210174 [0,2,0,0,0,0|2,0,0]=4 3668 B14R1.20236 Cc1cc(c(cc1NC(=O)CO)O)Cl 22a_100009961766_100000210174 [0,2,0,0,0,0|2,0,0]=4 3669 B14R1.20236 Cc1cc(c(cc1O)NC(=O)CO)Cl 22a_100000092876_100000210174 [0,2,0,0,0,0|2,0,0]=4 3670 B14R1.20236 Cc1cc(c(cc1O)NC(=O)CO)F 22a_100000117193_100000210174 [0,2,0,0,0,0|2,0,0]=4 3671 B14R1.20236 Cc1cc(c(cc1O)NC(=O)CO)F 527a_100000117193_100000210174 [0,2,0,0,0,0|2,0,0]=4 3672 B14R1.20236 O=C(CO)Cc1cc(c(cc1Br)F)F 1458a_100000210174_100010077255 [0,2,0,0,0,0|2,0,0]=4 3673 B14R1.20236 O=C(CO)Cc1cc(c(cc1Cl)Cl)Cl 1458a_100000210174_100010220947 [0,2,0,0,0,0|2,0,0]=4 3674 B14R1.20236 O=C(CO)Cc1cc(c(cc1Cl)Cl)F 1458a_100000210174_100009813697 [0,2,0,0,0,0|2,0,0]=4 3675 B14R1.20236 O=C(CO)Cc1cc(c(cc1Cl)F)F 1458a_100000210174_100011830393 [0,2,0,0,0,0|2,0,0]=4 3676 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)Br)F 1458a_100000210174_100012024439 [0,2,0,0,0,0|2,0,0]=4 3677 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)Cl)F 1458a_100000210174_200012361342 [0,2,0,0,0,0|2,0,0]=4 3678 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)F)Cl 1458a_100000210174_100010994231 [0,2,0,0,0,0|2,0,0]=4 3679 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)F)F 1458a_100000210174_100011218792 [0,2,0,0,0,0|2,0,0]=4 3680 B14R1.20236 O=C(CO)Cc1cc(c(cc1F)F)I 1458a_100000210174_100019984567 [0,2,0,0,0,0|2,0,0]=4 3681 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000210174 [0,2,0,0,0,0|2,0,0]=4 3682 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)F)O 22a_100011219470_100000210174 [0,2,0,0,0,0|2,0,0]=4 3683 B14R1.20236 O=C(CO)Nc1cc(c(cc1F)F)O 527a_100011219470_100000210174 [0,2,0,0,0,0|2,0,0]=4 3684 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Br)Br 22a_200010781931_100000210174 [0,2,0,0,0,0|2,0,0]=4 3685 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Br)Br 527a_200010781931_100000210174 [0,2,0,0,0,0|2,0,0]=4 3686 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Br)F 22a_100013038943_100000210174 [0,2,0,0,0,0|2,0,0]=4 3687 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Br)F 527a_100013038943_100000210174 [0,2,0,0,0,0|2,0,0]=4 3688 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Cl)Br 22a_100013488937_100000210174 [0,2,0,0,0,0|2,0,0]=4 3689 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Cl)Br 527a_100013488937_100000210174 [0,2,0,0,0,0|2,0,0]=4 3690 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Cl)Cl 22a_100000696747_100000210174 [0,2,0,0,0,0|2,0,0]=4 3691 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Cl)Cl 527a_100000696747_100000210174 [0,2,0,0,0,0|2,0,0]=4 3692 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Cl)I 22a_100011011175_100000210174 [0,2,0,0,0,0|2,0,0]=4 3693 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)Cl)I 527a_100011011175_100000210174 [0,2,0,0,0,0|2,0,0]=4 3694 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)F)Br 22a_100012359894_100000210174 [0,2,0,0,0,0|2,0,0]=4 3695 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)F)Br 527a_100012359894_100000210174 [0,2,0,0,0,0|2,0,0]=4 3696 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)F)F 22a_106722365970_100000210174 [0,2,0,0,0,0|2,0,0]=4 3697 B14R1.20236 O=C(CO)Nc1cc(c(cc1O)F)F 527a_106722365970_100000210174 [0,2,0,0,0,0|2,0,0]=4 3698 B14R1.2327 COc1ccc(c(c1CC(=O)C)F)F 1458a_100000062126_200000210301 [0,2,0,0,0,0|2,0,0]=4 3699 B14R1.2327 COc1ccc(c(c1CC(=O)C)F)F 1458a_100000070787_100009814553 [0,2,0,0,0,0|2,0,0]=4 3700 B14R1.2327 COc1ccc(c(c1CC(=O)[13CH3])F)F 1458a_100000062126_200025704644 [0,2,0,0,0,0|2,0,0]=4 3701 B14R1.10182 COC(=O)Cc1c(ccc(c1O)F)F 271570a_203496583355_100015332336 [0,2,0,0,0,0|2,0,0]=4 3702 B14R1.10182 Cc1c(ccc(c1NC(=O)CO)O)Br 22a_100013039247_100000210174 [0,2,0,0,0,0|2,0,0]=4 3703 B14R1.10182 Cc1c(ccc(c1NC(=O)CO)O)Br 527a_100013039247_100000210174 [0,2,0,0,0,0|2,0,0]=4 3704 B14R1.10182 Cc1ccc(c(c1Cl)CC(=O)CO)Cl 1458a_100000210174_200010220899 [0,2,0,0,0,0|2,0,0]=4 3705 B14R1.10182 Cc1ccc(c(c1Cl)CC(=O)CO)F 1458a_100000210174_100009813558 [0,2,0,0,0,0|2,0,0]=4 3706 B14R1.10182 Cc1ccc(c(c1F)CC(=O)CO)Cl 1458a_100000210174_100009813557 [0,2,0,0,0,0|2,0,0]=4 3707 B14R1.10182 Cc1ccc(c(c1F)CC(=O)CO)F 1458a_100000210174_100011217880 [0,2,0,0,0,0|2,0,0]=4 3708 B14R1.10182 O=C(CO)Cc1c(ccc(c1Br)Cl)F 1458a_100000210174_100011099539 [0,2,0,0,0,0|2,0,0]=4 3709 B14R1.10182 O=C(CO)Cc1c(ccc(c1Cl)F)F 1458a_100000210174_100009813715 [0,2,0,0,0,0|2,0,0]=4 3710 B14R1.10182 O=C(CO)Cc1c(ccc(c1F)Br)Cl 1458a_100000210174_100010993448 [0,2,0,0,0,0|2,0,0]=4 3711 B14R1.10182 O=C(CO)Cc1c(ccc(c1F)Cl)Br 1458a_100000210174_100011071994 [0,2,0,0,0,0|2,0,0]=4 3712 B14R1.10182 O=C(CO)Cc1c(ccc(c1F)Cl)Cl 1458a_100000210174_100009814555 [0,2,0,0,0,0|2,0,0]=4 3713 B14R1.10182 O=C(CO)Cc1c(ccc(c1F)Cl)F 1458a_100000210174_100009813610 [0,2,0,0,0,0|2,0,0]=4 3714 B14R1.10182 O=C(CO)Cc1c(ccc(c1F)F)Br 1458a_100000210174_100011070584 [0,2,0,0,0,0|2,0,0]=4 3715 B14R1.10182 O=C(CO)Cc1c(ccc(c1F)F)Cl 1458a_100000210174_100010381632 [0,2,0,0,0,0|2,0,0]=4 3716 B14R1.10182 O=C(CO)Cc1c(ccc(c1F)F)F 1458a_100000210174_100009813269 [0,2,0,0,0,0|2,0,0]=4 3717 B14R1.1008 CNC(C(=O)O)c1cc(ccc1C)C 269956a_100020587285_200000210301 [0,2,0,0,0,0|2,0,0]=4 3718 B14R1.1008 CNC(C(=O)O)c1cc(ccc1Cl)Cl 269956a_100012340239_200000210301 [0,2,0,0,0,0|2,0,0]=4 3719 B14R1.1008 CNC(C(=O)O)c1cc(ccc1F)F 269956a_100020591499_200000210301 [0,2,0,0,0,0|2,0,0]=4 3720 B14R1.1008 Cc1ccc(c(c1)C(N[13CH3])C(=O)O)C 269956a_100020587285_200025704644 [0,2,0,0,0,0|2,0,0]=4 3721 B14R1.1008 [13CH3]NC(C(=O)O)c1cc(ccc1Cl)Cl 269956a_100012340239_200025704644 [0,2,0,0,0,0|2,0,0]=4 3722 B14R1.1008 [13CH3]NC(C(=O)O)c1cc(ccc1F)F 269956a_100020591499_200025704644 [0,2,0,0,0,0|2,0,0]=4 3723 B14R1.12200 COc1c(cc(cc1CC(=O)C)Cl)Cl 1458a_100010004918_200000210301 [0,2,0,0,0,0|2,0,0]=4 3724 B14R1.12200 COc1c(cc(cc1CC(=O)C)F)F 1458a_100000062222_200000210301 [0,2,0,0,0,0|2,0,0]=4 3725 B14R1.12200 COc1c(cc(cc1CC(=O)C)F)F 1458a_100000070787_100009816017 [0,2,0,0,0,0|2,0,0]=4 3726 B14R1.12200 COc1c(cc(cc1CC(=O)[13CH3])Cl)Cl 1458a_100010004918_200025704644 [0,2,0,0,0,0|2,0,0]=4 3727 B14R1.12200 COc1c(cc(cc1CC(=O)[13CH3])F)F 1458a_100000062222_200025704644 [0,2,0,0,0,0|2,0,0]=4 3728 B14R1.19574 C#CC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000211873_200009814416 [0,2,0,0,0,0|2,0,0]=4 3729 B14R1.19574 C=CC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000185746_200009814416 [0,2,0,0,0,0|2,0,0]=4 3730 B14R1.19574 CCC(=O)Cc1cc(cc(c1O)Br)Br 1458a_100000210414_200009814416 [0,2,0,0,0,0|2,0,0]=4 3731 B14R1.19574 CCC(=O)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_100000210202 [0,2,0,0,0,0|2,0,0]=4 3732 B14R1.19574 CCC(=O)Cc1cc(cc(c1O)F)F 1458a_200015623426_100000210202 [0,2,0,0,0,0|2,0,0]=4 3733 B14R1.19574 CNC(=O)Cc1cc(cc(c1O)Cl)Cl 240690a_100102657272_100010323609 [0,2,0,0,0,0|2,0,0]=4 3734 B14R1.19574 CNC(=O)Cc1cc(cc(c1O)F)F 240690a_100102657272_200015623426 [0,2,0,0,0,0|2,0,0]=4 3735 B14R1.19574 CNC(=O)Cc1cc(cc(c1O)F)F 527a_100102657272_200015623426 [0,2,0,0,0,0|2,0,0]=4 3736 B14R1.19574 Cc1cc(c(c(c1)CC(=O)CO)F)F 1458a_100000210174_100015889675 [0,2,0,0,0,0|2,0,0]=4 3737 B14R1.19574 Cc1cc(c(c(c1)NC(=O)CO)O)C 22a_100011216242_100000210174 [0,2,0,0,0,0|2,0,0]=4 3738 B14R1.19574 Cc1cc(c(c(c1)NC(=O)CO)O)C 527a_100011216242_100000210174 [0,2,0,0,0,0|2,0,0]=4 3739 B14R1.19574 Cc1cc(cc(c1O)NC(=O)CO)Br 22a_100011825904_100000210174 [0,2,0,0,0,0|2,0,0]=4 3740 B14R1.19574 Cc1cc(cc(c1O)NC(=O)CO)Br 527a_100011825904_100000210174 [0,2,0,0,0,0|2,0,0]=4 3741 B14R1.19574 Cc1cc(cc(c1O)NC(=O)CO)F 22a_100000130126_100000210174 [0,2,0,0,0,0|2,0,0]=4 3742 B14R1.19574 Cc1cc(cc(c1O)NC(=O)CO)F 527a_100000130126_100000210174 [0,2,0,0,0,0|2,0,0]=4 3743 B14R1.19574 O=C(CF)Cc1cc(cc(c1O)Cl)Cl 1458a_100010323609_100015361967 [0,2,0,0,0,0|2,0,0]=4 3744 B14R1.19574 O=C(CF)Cc1cc(cc(c1O)F)F 1458a_200015623426_100015361967 [0,2,0,0,0,0|2,0,0]=4 3745 B14R1.19574 O=C(CO)Cc1cc(cc(c1Br)F)F 1458a_100000210174_100015714476 [0,2,0,0,0,0|2,0,0]=4 3746 B14R1.19574 O=C(CO)Cc1cc(cc(c1Cl)Br)I 1458a_100000210174_100021522891 [0,2,0,0,0,0|2,0,0]=4 3747 B14R1.19574 O=C(CO)Cc1cc(cc(c1F)F)F 1458a_100000210174_100009813678 [0,2,0,0,0,0|2,0,0]=4 3748 B14R1.19574 O=C(CO)Cc1cc(cc(c1O)Br)Br 1458a_100000210174_200009814416 [0,2,0,0,0,0|1,0,0]=3 3749 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Br)Br 22a_100010781877_100000210174 [0,2,0,0,0,0|2,0,0]=4 3750 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Br)Br 527a_100010781877_100000210174 [0,2,0,0,0,0|2,0,0]=4 3751 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Br)Cl 22a_106741647128_100000210174 [0,2,0,0,0,0|2,0,0]=4 3752 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Br)Cl 527a_106741647128_100000210174 [0,2,0,0,0,0|2,0,0]=4 3753 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Br)F 22a_200011217456_100000210174 [0,2,0,0,0,0|2,0,0]=4 3754 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Br)F 527a_200011217456_100000210174 [0,2,0,0,0,0|2,0,0]=4 3755 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Cl)Br 22a_100000694353_100000210174 [0,2,0,0,0,0|2,0,0]=4 3756 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Cl)Br 527a_100000694353_100000210174 [0,2,0,0,0,0|2,0,0]=4 3757 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Cl)Cl 22a_100000695819_100000210174 [0,2,0,0,0,0|2,0,0]=4 3758 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)Cl)Cl 527a_100000695819_100000210174 [0,2,0,0,0,0|2,0,0]=4 3759 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)F)Br 22a_100011217383_100000210174 [0,2,0,0,0,0|2,0,0]=4 3760 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)F)Br 527a_100011217383_100000210174 [0,2,0,0,0,0|2,0,0]=4 3761 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)F)F 22a_100015205836_100000210174 [0,2,0,0,0,0|2,0,0]=4 3762 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)F)F 527a_100015205836_100000210174 [0,2,0,0,0,0|2,0,0]=4 3763 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)I)Br 22a_100016071998_100000210174 [0,2,0,0,0,0|2,0,0]=4 3764 B14R1.19574 O=C(CO)Nc1cc(cc(c1O)I)Br 527a_100016071998_100000210174 [0,2,0,0,0,0|2,0,0]=4 3765 B14R1.950 C#CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000184674 [0,2,0,0,0,0|2,0,0]=4 3766 B14R1.950 C#CCC(=O)Cc1cc(ccc1O)F 1458a_100011220946_100010161318 [0,2,0,0,0,0|2,0,0]=4 3767 B14R1.950 C#CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000184674 [0,2,0,0,0,0|1,0,0]=3 3768 B14R1.950 C=CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210623 [0,2,0,0,0,0|2,0,0]=4 3769 B14R1.950 C=CCC(=O)Cc1cc(ccc1O)F 1458a_100000210193_100010161318 [0,2,0,0,0,0|2,0,0]=4 3770 B14R1.950 C=CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210623 [0,2,0,0,0,0|1,0,0]=3 3771 B14R1.950 CC#CC(=O)Cc1cc(ccc1O)F 1458a_100000763181_100010161318 [0,2,0,0,0,0|2,0,0]=4 3772 B14R1.950 CC=CC(=O)Cc1cc(ccc1O)F 1458a_100000210699_100010161318 [0,2,0,0,0,0|2,0,0]=4 3773 B14R1.950 CCCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100000210303 [0,2,0,0,0,0|2,0,0]=4 3774 B14R1.950 CCCC(=O)Cc1cc(ccc1O)F 1458a_100000211992_100010161318 [0,2,0,0,0,0|2,0,0]=4 3775 B14R1.950 CCCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100000210303 [0,2,0,0,0,0|1,0,0]=3 3776 B14R1.950 CCNC(=O)Cc1cc(ccc1O)Br 240690a_100015525214_100010072483 [0,2,0,0,0,0|2,0,0]=4 3777 B14R1.950 CNNC(=O)Cc1cc(ccc1O)Br 22a_100016993582_100010072483 [0,2,0,0,0,0|2,0,0]=4 3778 B14R1.950 CNNC(=O)Cc1cc(ccc1O)O 22a_100016993582_100000038496 [0,2,0,0,0,0|1,0,0]=3 3779 B14R1.950 COCC(=O)Cc1cc(ccc1Br)Br 1458a_100000210968_100011982794 [0,2,0,0,0,0|2,0,0]=4 3780 B14R1.950 COCC(=O)Cc1cc(ccc1Br)Cl 1458a_100000210968_100000733903 [0,2,0,0,0,0|2,0,0]=4 3781 B14R1.950 COCC(=O)Cc1cc(ccc1Br)F 1458a_100000210968_100000736370 [0,2,0,0,0,0|2,0,0]=4 3782 B14R1.950 COCC(=O)Cc1cc(ccc1Br)I 1458a_100000210968_100012355412 [0,2,0,0,0,0|2,0,0]=4 3783 B14R1.950 COCC(=O)Cc1cc(ccc1C)C 1458a_100000210968_100000184699 [0,2,0,0,0,0|2,0,0]=4 3784 B14R1.950 COCC(=O)Cc1cc(ccc1C)Cl 1458a_100000210968_100012186985 [0,2,0,0,0,0|2,0,0]=4 3785 B14R1.950 COCC(=O)Cc1cc(ccc1C)F 1458a_100000210968_100000709795 [0,2,0,0,0,0|2,0,0]=4 3786 B14R1.950 COCC(=O)Cc1cc(ccc1Cl)Br 1458a_100000210968_100000763347 [0,2,0,0,0,0|2,0,0]=4 3787 B14R1.950 COCC(=O)Cc1cc(ccc1Cl)C 1458a_100000210968_100009871730 [0,2,0,0,0,0|2,0,0]=4 3788 B14R1.950 COCC(=O)Cc1cc(ccc1Cl)Cl 1458a_100000210968_100000754809 [0,2,0,0,0,0|2,0,0]=4 3789 B14R1.950 COCC(=O)Cc1cc(ccc1Cl)F 1458a_100000210968_100000709952 [0,2,0,0,0,0|2,0,0]=4 3790 B14R1.950 COCC(=O)Cc1cc(ccc1Cl)I 1458a_100000210968_100010188191 [0,2,0,0,0,0|2,0,0]=4 3791 B14R1.950 COCC(=O)Cc1cc(ccc1F)Br 1458a_100000210968_100000736399 [0,2,0,0,0,0|2,0,0]=4 3792 B14R1.950 COCC(=O)Cc1cc(ccc1F)C 1458a_100000210968_100011260760 [0,2,0,0,0,0|2,0,0]=4 3793 B14R1.950 COCC(=O)Cc1cc(ccc1F)Cl 1458a_100000210968_100000716957 [0,2,0,0,0,0|2,0,0]=4 3794 B14R1.950 COCC(=O)Cc1cc(ccc1F)F 1458a_100000210968_100000741279 [0,2,0,0,0,0|2,0,0]=4 3795 B14R1.950 COCC(=O)Cc1cc(ccc1F)I 1458a_100000210968_200010149601 [0,2,0,0,0,0|2,0,0]=4 3796 B14R1.950 COCC(=O)Cc1cc(ccc1I)Br 1458a_100000210968_100012362523 [0,2,0,0,0,0|2,0,0]=4 3797 B14R1.950 COCC(=O)Cc1cc(ccc1I)Cl 1458a_100000210968_100012348826 [0,2,0,0,0,0|2,0,0]=4 3798 B14R1.950 COCC(=O)Cc1cc(ccc1I)F 1458a_100000210968_100010149606 [0,2,0,0,0,0|2,0,0]=4 3799 B14R1.950 COCC(=O)Cc1cc(ccc1O)F 1458a_100000210968_100010161318 [0,2,0,0,0,0|1,0,0]=3 3800 B14R1.950 COCC(=O)Cc1nc(ccc1O)C 1458a_100000210968_100020630696 [0,2,0,0,0,0|2,0,0]=4 3801 B14R1.950 COCC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000210968 [0,2,0,0,0,0|2,0,0]=4 3802 B14R1.950 COCC(=O)Nc1cc(ccc1Br)O 527a_100011999798_100000210968 [0,2,0,0,0,0|2,0,0]=4 3803 B14R1.950 COCC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000210968 [0,2,0,0,0,0|2,0,0]=4 3804 B14R1.950 COCC(=O)Nc1cc(ccc1C)O 527a_100011216113_100000210968 [0,2,0,0,0,0|2,0,0]=4 3805 B14R1.950 COCC(=O)Nc1cc(ccc1Cl)O 527a_100011934297_100000210968 [0,2,0,0,0,0|2,0,0]=4 3806 B14R1.950 COCC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000210968 [0,2,0,0,0,0|2,0,0]=4 3807 B14R1.950 COCC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000210968 [0,2,0,0,0,0|2,0,0]=4 3808 B14R1.950 COCC(=O)Nc1cc(ccc1F)O 527a_100012017239_100000210968 [0,2,0,0,0,0|2,0,0]=4 3809 B14R1.950 COCC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000210968 [0,2,0,0,0,0|2,0,0]=4 3810 B14R1.950 COCC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100000210968 [0,2,0,0,0,0|2,0,0]=4 3811 B14R1.950 COCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210968 [0,2,0,0,0,0|2,0,0]=4 3812 B14R1.950 COCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210968 [0,2,0,0,0,0|2,0,0]=4 3813 B14R1.950 COCC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000210968 [0,2,0,0,0,0|2,0,0]=4 3814 B14R1.950 COCC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100000210968 [0,2,0,0,0,0|2,0,0]=4 3815 B14R1.950 COCC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000210968 [0,2,0,0,0,0|2,0,0]=4 3816 B14R1.950 COCC(=O)Nc1cc(ccc1O)F 527a_100000759472_100000210968 [0,2,0,0,0,0|2,0,0]=4 3817 B14R1.950 COCC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000210968 [0,2,0,0,0,0|2,0,0]=4 3818 B14R1.950 COCC(=O)Nc1cc(ccc1O)I 527a_100000753495_100000210968 [0,2,0,0,0,0|2,0,0]=4 3819 B14R1.950 CSCC(=O)Cc1cc(ccc1O)F 1458a_100000184570_100010161318 [0,2,0,0,0,0|1,1,0]=4 3820 B14R1.950 Cc1ccc(c(c1)CC(=O)CCO)Br 1458a_100010004923_100000211926 [0,2,0,0,0,0|2,0,0]=4 3821 B14R1.950 Cc1ccc(c(c1)CC(=O)CCO)C 1458a_100000749331_100000211926 [0,2,0,0,0,0|2,0,0]=4 3822 B14R1.950 Cc1ccc(c(c1)CC(=O)CCO)C 1458a_100011216618_100000184699 [0,2,0,0,0,0|2,0,0]=4 3823 B14R1.950 Cc1ccc(c(c1)CC(=O)CCO)Cl 1458a_100011216618_100009871730 [0,2,0,0,0,0|2,0,0]=4 3824 B14R1.950 Cc1ccc(c(c1)CC(=O)CCO)F 1458a_100011216618_100011260760 [0,2,0,0,0,0|2,0,0]=4 3825 B14R1.950 Cc1ccc(c(c1)CC(=O)CCO)F 1458a_100011667363_100000211926 [0,2,0,0,0,0|2,0,0]=4 3826 B14R1.950 Cc1ccc(c(c1)NC(=O)CCO)O 22a_100011215204_100011216618 [0,2,0,0,0,0|2,0,0]=4 3827 B14R1.950 Cc1ccc(c(n1)CC(=O)CCO)O 1458a_100011216618_100020630696 [0,2,0,0,0,0|2,0,0]=4 3828 B14R1.950 Cc1ccc(cc1CC(=O)CCO)Br 1458a_100010244045_100000211926 [0,2,0,0,0,0|2,0,0]=4 3829 B14R1.950 Cc1ccc(cc1CC(=O)CCO)Cl 1458a_100011216618_100012186985 [0,2,0,0,0,0|2,0,0]=4 3830 B14R1.950 Cc1ccc(cc1CC(=O)CCO)F 1458a_100011216618_100000709795 [0,2,0,0,0,0|2,0,0]=4 3831 B14R1.950 Cc1ccc(cc1CC(=O)CCO)F 1458a_100011219217_100000211926 [0,2,0,0,0,0|2,0,0]=4 3832 B14R1.950 Cc1ccc(cc1NC(=O)CCO)O 22a_100011216113_100011216618 [0,2,0,0,0,0|2,0,0]=4 3833 B14R1.950 N#CCC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_100011214920 [0,2,0,0,0,0|2,0,0]=4 3834 B14R1.950 N#CCC(=O)Cc1cc(ccc1O)F 1458a_100051588842_100010161318 [0,2,0,0,0,0|2,0,0]=4 3835 B14R1.950 N#CCC(=O)Cc1cc(ccc1O)O 1458a_100000038496_100011214920 [0,2,0,0,0,0|1,0,0]=3 3836 B14R1.950 O=C(C=CBr)Cc1cc(ccc1O)F 1458a_100016273825_100010161318 [0,2,0,0,0,0|2,0,0]=4 3837 B14R1.950 O=C(C=CCl)Cc1cc(ccc1O)F 1458a_200016279998_100010161318 [0,2,0,0,0,0|2,0,0]=4 3838 B14R1.950 O=C(C=CI)Cc1cc(ccc1O)F 1458a_100016256311_100010161318 [0,2,0,0,0,0|2,0,0]=4 3839 B14R1.950 O=C(CCF)Cc1cc(ccc1O)Br 1458a_100010072483_100011217306 [0,2,0,0,0,0|2,0,0]=4 3840 B14R1.950 O=C(CCF)Cc1cc(ccc1O)O 1458a_100000038496_100011217306 [0,2,0,0,0,0|1,0,0]=3 3841 B14R1.950 O=C(CCO)Cc1cc(ccc1Br)Br 1458a_100010004897_100000211926 [0,2,0,0,0,0|2,0,0]=4 3842 B14R1.950 O=C(CCO)Cc1cc(ccc1Br)Br 1458a_100011216618_100011982794 [0,2,0,0,0,0|2,0,0]=4 3843 B14R1.950 O=C(CCO)Cc1cc(ccc1Br)Cl 1458a_100000690875_100000211926 [0,2,0,0,0,0|2,0,0]=4 3844 B14R1.950 O=C(CCO)Cc1cc(ccc1Br)Cl 1458a_100011216618_100000733903 [0,2,0,0,0,0|2,0,0]=4 3845 B14R1.950 O=C(CCO)Cc1cc(ccc1Br)F 1458a_100000690878_100000211926 [0,2,0,0,0,0|2,0,0]=4 3846 B14R1.950 O=C(CCO)Cc1cc(ccc1Br)F 1458a_100011216618_100000736370 [0,2,0,0,0,0|2,0,0]=4 3847 B14R1.950 O=C(CCO)Cc1cc(ccc1Br)I 1458a_100011216618_100012355412 [0,2,0,0,0,0|2,0,0]=4 3848 B14R1.950 O=C(CCO)Cc1cc(ccc1Cl)Br 1458a_100011216618_100000763347 [0,2,0,0,0,0|2,0,0]=4 3849 B14R1.950 O=C(CCO)Cc1cc(ccc1Cl)Br 1458a_100011600618_100000211926 [0,2,0,0,0,0|2,0,0]=4 3850 B14R1.950 O=C(CCO)Cc1cc(ccc1Cl)Cl 1458a_100000748246_100000211926 [0,2,0,0,0,0|2,0,0]=4 3851 B14R1.950 O=C(CCO)Cc1cc(ccc1Cl)Cl 1458a_100011216618_100000754809 [0,2,0,0,0,0|2,0,0]=4 3852 B14R1.950 O=C(CCO)Cc1cc(ccc1Cl)F 1458a_100011216618_100000709952 [0,2,0,0,0,0|2,0,0]=4 3853 B14R1.950 O=C(CCO)Cc1cc(ccc1Cl)F 1458a_100011830335_100000211926 [0,2,0,0,0,0|2,0,0]=4 3854 B14R1.950 O=C(CCO)Cc1cc(ccc1Cl)I 1458a_100011216618_100010188191 [0,2,0,0,0,0|2,0,0]=4 3855 B14R1.950 O=C(CCO)Cc1cc(ccc1F)Br 1458a_100000690877_100000211926 [0,2,0,0,0,0|2,0,0]=4 3856 B14R1.950 O=C(CCO)Cc1cc(ccc1F)Br 1458a_100011216618_100000736399 [0,2,0,0,0,0|2,0,0]=4 3857 B14R1.950 O=C(CCO)Cc1cc(ccc1F)Cl 1458a_100011216618_100000716957 [0,2,0,0,0,0|2,0,0]=4 3858 B14R1.950 O=C(CCO)Cc1cc(ccc1F)Cl 1458a_100011217548_100000211926 [0,2,0,0,0,0|2,0,0]=4 3859 B14R1.950 O=C(CCO)Cc1cc(ccc1F)F 1458a_100000762760_100000211926 [0,2,0,0,0,0|2,0,0]=4 3860 B14R1.950 O=C(CCO)Cc1cc(ccc1F)F 1458a_100011216618_100000741279 [0,2,0,0,0,0|2,0,0]=4 3861 B14R1.950 O=C(CCO)Cc1cc(ccc1F)I 1458a_100011216618_200010149601 [0,2,0,0,0,0|2,0,0]=4 3862 B14R1.950 O=C(CCO)Cc1cc(ccc1I)Br 1458a_100011216618_100012362523 [0,2,0,0,0,0|2,0,0]=4 3863 B14R1.950 O=C(CCO)Cc1cc(ccc1I)Cl 1458a_100011216618_100012348826 [0,2,0,0,0,0|2,0,0]=4 3864 B14R1.950 O=C(CCO)Cc1cc(ccc1I)F 1458a_100011216618_100010149606 [0,2,0,0,0,0|2,0,0]=4 3865 B14R1.950 O=C(CCO)Cc1cc(ccc1O)Br 1458a_100010072483_100000211926 [0,2,0,0,0,0|1,0,0]=3 3866 B14R1.950 O=C(CCO)Cc1cc(ccc1O)F 1458a_100011216618_100010161318 [0,2,0,0,0,0|1,0,0]=3 3867 B14R1.950 O=C(CCO)Cc1cc(ccc1O)O 1458a_100000038496_100000211926 [0,2,0,0,0,0|0,0,0]=2 3868 B14R1.950 O=C(CCO)Nc1cc(ccc1Br)O 22a_100011999798_100011216618 [0,2,0,0,0,0|2,0,0]=4 3869 B14R1.950 O=C(CCO)Nc1cc(ccc1F)O 22a_100012017239_100011216618 [0,2,0,0,0,0|2,0,0]=4 3870 B14R1.950 O=C(CCO)Nc1cc(ccc1O)Br 22a_100000752626_100011216618 [0,2,0,0,0,0|2,0,0]=4 3871 B14R1.950 O=C(CCO)Nc1cc(ccc1O)Cl 22a_100000210500_100011216618 [0,2,0,0,0,0|2,0,0]=4 3872 B14R1.950 O=C(CCO)Nc1cc(ccc1O)F 22a_100000759472_100011216618 [0,2,0,0,0,0|2,0,0]=4 3873 B14R1.950 O=C(CCO)Nc1cc(ccc1O)I 22a_100000753495_100011216618 [0,2,0,0,0,0|2,0,0]=4 3874 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)Br 1458a_100000211873_100000204665 [0,2,0,0,0,0|2,0,0]=4 3875 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)C 1458a_100000211873_100000199068 [0,2,0,0,0,0|2,0,0]=4 3876 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)Cl 1458a_100000211873_100000209806 [0,2,0,0,0,0|2,0,0]=4 3877 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)F 1458a_100000211873_100011830354 [0,2,0,0,0,0|2,0,0]=4 3878 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)Br 1458a_100000185746_100000204665 [0,2,0,0,0,0|2,0,0]=4 3879 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)C 1458a_100000185746_100000199068 [0,2,0,0,0,0|2,0,0]=4 3880 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)Cl 1458a_100000185746_100000209806 [0,2,0,0,0,0|2,0,0]=4 3881 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)F 1458a_100000185746_100011830354 [0,2,0,0,0,0|2,0,0]=4 3882 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Br 1458a_100000210414_100000204665 [0,2,0,0,0,0|2,0,0]=4 3883 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Br 1458a_100000763194_100000210202 [0,2,0,0,0,0|2,0,0]=4 3884 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)C 1458a_100000204598_100000210202 [0,2,0,0,0,0|2,0,0]=4 3885 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)C 1458a_100000210414_100000199068 [0,2,0,0,0,0|2,0,0]=4 3886 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Cl 1458a_100000209874_100000210202 [0,2,0,0,0,0|2,0,0]=4 3887 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Cl 1458a_100000210414_100000209806 [0,2,0,0,0,0|2,0,0]=4 3888 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)F 1458a_100000210414_100011830354 [0,2,0,0,0,0|2,0,0]=4 3889 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)F 1458a_100000707523_100000210202 [0,2,0,0,0,0|2,0,0]=4 3890 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 11a_106832991635_100000763194 [0,2,0,0,0,0|2,0,0]=4 3891 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 1626a_100102657272_100000763194 [0,2,0,0,0,0|2,0,0]=4 3892 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 240690a_100102657272_100000763194 [0,2,0,0,0,0|2,0,0]=4 3893 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 527a_100102657272_100000763194 [0,2,0,0,0,0|2,0,0]=4 3894 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 11a_106832991635_100000204598 [0,2,0,0,0,0|2,0,0]=4 3895 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 1626a_100102657272_100000204598 [0,2,0,0,0,0|2,0,0]=4 3896 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 240690a_100102657272_100000204598 [0,2,0,0,0,0|2,0,0]=4 3897 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 527a_100102657272_100000204598 [0,2,0,0,0,0|2,0,0]=4 3898 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 11a_106832991635_100000209874 [0,2,0,0,0,0|2,0,0]=4 3899 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 1626a_100102657272_100000209874 [0,2,0,0,0,0|2,0,0]=4 3900 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 240690a_100102657272_100000209874 [0,2,0,0,0,0|2,0,0]=4 3901 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 527a_100102657272_100000209874 [0,2,0,0,0,0|2,0,0]=4 3902 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 11a_106832991635_100000707523 [0,2,0,0,0,0|2,0,0]=4 3903 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 1626a_100102657272_100000707523 [0,2,0,0,0,0|2,0,0]=4 3904 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 240690a_100102657272_100000707523 [0,2,0,0,0,0|2,0,0]=4 3905 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 527a_100102657272_100000707523 [0,2,0,0,0,0|2,0,0]=4 3906 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Br 34a_100010185610_200000210301 [0,2,0,0,0,0|1,0,0]=3 3907 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Br 7a_100010185610_200000210301 [0,2,0,0,0,0|1,0,0]=3 3908 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Cl 34a_200010150947_200000210301 [0,2,0,0,0,0|1,0,0]=3 3909 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Cl 7a_200010150947_200000210301 [0,2,0,0,0,0|1,0,0]=3 3910 B14R1.3279 COC(=O)Cc1cc(ccc1OC)O 271570a_203496583355_100012362489 [0,2,0,0,0,0|0,0,0]=2 3911 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Br 34a_100010185610_200025704644 [0,2,0,0,0,0|1,0,0]=3 3912 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Br 7a_100010185610_200025704644 [0,2,0,0,0,0|1,0,0]=3 3913 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Cl 34a_200010150947_200025704644 [0,2,0,0,0,0|1,0,0]=3 3914 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Cl 7a_200010150947_200025704644 [0,2,0,0,0,0|1,0,0]=3 3915 B14R1.3279 COc1ccc(cc1CC(=O)CF)Br 1458a_100000763194_100015361967 [0,2,0,0,0,0|2,0,0]=4 3916 B14R1.3279 COc1ccc(cc1CC(=O)CF)C 1458a_100000204598_100015361967 [0,2,0,0,0,0|2,0,0]=4 3917 B14R1.3279 COc1ccc(cc1CC(=O)CF)Cl 1458a_100000209874_100015361967 [0,2,0,0,0,0|2,0,0]=4 3918 B14R1.3279 COc1ccc(cc1CC(=O)CF)F 1458a_100000707523_100015361967 [0,2,0,0,0,0|2,0,0]=4 3919 B14R1.3279 COc1ccc(cc1CC(=O)CO)Br 1458a_100000210174_100000204665 [0,2,0,0,0,0|1,0,0]=3 3920 B14R1.3279 COc1ccc(cc1CC(=O)CO)C 1458a_100000210174_100000199068 [0,2,0,0,0,0|1,0,0]=3 3921 B14R1.3279 COc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100000209806 [0,2,0,0,0,0|1,0,0]=3 3922 B14R1.3279 COc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100011830354 [0,2,0,0,0,0|1,0,0]=3 3923 B14R1.3279 COc1ccc(cc1NC(=O)CO)Br 22a_100000743470_100000210174 [0,2,0,0,0,0|2,0,0]=4 3924 B14R1.3279 COc1ccc(cc1NC(=O)CO)Br 527a_100000743470_100000210174 [0,2,0,0,0,0|2,0,0]=4 3925 B14R1.3279 COc1ccc(cc1NC(=O)CO)C 22a_100000210980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3926 B14R1.3279 COc1ccc(cc1NC(=O)CO)C 527a_100000210980_100000210174 [0,2,0,0,0,0|2,0,0]=4 3927 B14R1.3279 COc1ccc(cc1NC(=O)CO)Cl 22a_100000182114_100000210174 [0,2,0,0,0,0|2,0,0]=4 3928 B14R1.3279 COc1ccc(cc1NC(=O)CO)F 22a_100000757179_100000210174 [0,2,0,0,0,0|2,0,0]=4 3929 B14R1.3279 COc1ccc(cc1NC(=O)CO)F 527a_100000757179_100000210174 [0,2,0,0,0,0|2,0,0]=4 3930 B14R1.3279 COc1ccc(cc1NC(=O)CO)I 22a_100011249504_100000210174 [0,2,0,0,0,0|2,0,0]=4 3931 B14R1.3279 COc1ncc(cc1CC(=O)CO)Br 1458a_100000210174_100010065838 [0,2,0,0,0,0|2,0,0]=4 3932 B14R1.3279 Cc1ccc(c(c1)NC(=O)CO)CO 22a_100000087799_100000210174 [0,2,0,0,0,0|2,0,0]=4 3933 B14R1.3279 N#Cc1ccc(cc1CC(=O)CO)Br 1458a_100000210174_100000718229 [0,2,0,0,0,0|2,0,0]=4 3934 B14R1.3279 N#Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000759424 [0,2,0,0,0,0|2,0,0]=4 3935 B14R1.3279 O=Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100010132768 [0,2,0,0,0,0|1,0,1]=4 3936 B14R1.164 CC(=O)Cc1cc(ccc1B(O)O)F 1458a_100000070787_200009816803 [0,2,0,0,0,0|2,0,0]=4 3937 B14R1.6721 CC(=O)Cc1cc(ccc1OCF)Br 34a_200010006938_100015361967 [0,2,0,0,0,0|2,0,0]=4 3938 B14R1.6721 CC(=O)Cc1cc(ccc1OCF)Br 7a_200010006938_100015361967 [0,2,0,0,0,0|2,0,0]=4 3939 B14R1.6721 CCOc1ccc(cc1CC(=O)C)Br 34a_200010006938_100000210202 [0,2,0,0,0,0|2,0,0]=4 3940 B14R1.6721 CCOc1ccc(cc1CC(=O)C)Br 7a_200010006938_100000210202 [0,2,0,0,0,0|2,0,0]=4 3941 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [1,0,0,1,0,0|2,0,0]=4 3942 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [1,0,0,1,0,0|2,0,0]=4 3943 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [1,0,0,1,0,0|1,0,0]=3 3944 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [1,0,0,1,0,0|2,0,0]=4 3945 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [1,0,0,1,0,0|1,0,0]=3 3946 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [1,0,0,1,0,0|2,0,0]=4 3947 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [1,0,0,1,0,0|2,0,0]=4 3948 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [1,0,0,1,0,0|1,0,1]=4 3949 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [1,0,0,1,0,0|2,0,0]=4 3950 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|2,0,0]=4 3951 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|2,0,0]=4 3952 B12R2.606 Cc1nc2cc(ccc2o1)O 271570a_203496583355_100009816932 [1,0,0,1,0,0|2,0,0]=4 3953 B12R2.606 Nc1nc2cc(ccc2o1)O 271570a_203496583355_100000737949 [1,0,0,1,0,0|2,0,0]=4 3954 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [1,0,0,1,0,0|1,0,0]=3 3955 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [1,0,0,1,0,0|2,0,0]=4 3956 B12R2.606 O=C1Cc2cc(ncc2N1)O 271570a_203496583355_100000104063 [1,0,0,1,0,0|2,0,0]=4 3957 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [1,0,0,1,0,0|1,0,0]=3 3958 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [1,0,0,1,0,0|2,0,0]=4 3959 B12R2.606 O=C1Cc2nc(ccc2N1)O 271570a_203496583355_100000087150 [1,0,0,1,0,0|2,0,0]=4 3960 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [1,0,0,1,0,0|1,0,0]=3 3961 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [1,0,0,1,0,0|1,1,0]=4 3962 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [1,0,0,1,0,0|2,0,0]=4 3963 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [1,0,0,1,0,0|2,0,0]=4 3964 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [1,0,0,1,0,0|2,0,0]=4 3965 B12R2.606 Oc1ccc2c(c1)CC(C2)O 271570a_203496583355_100010161096 [1,0,0,1,0,0|1,0,1]=4 3966 B12R2.606 Oc1ccc2nc(sc2c1)O 271570a_203496583355_100010063415 [1,0,0,1,0,0|2,0,0]=4 3967 B12R2.221 Cc1ccc(c2c1cco2)O 271570a_203496583355_100010253976 [1,0,0,1,0,0|1,0,1]=4 3968 B12R2.221 Oc1ccc(c2c1cco2)F 271570a_203496583355_100010248603 [1,0,0,1,0,0|1,0,1]=4 3969 B12R2.221 Oc1ccc(c2c1cco2)O 271570a_203496583355_200020711608 [1,0,0,1,0,0|0,0,1]=3 3970 B12R2.221 Oc1ccc(c2c1occ2)F 271570a_203496583355_100012355473 [1,0,0,1,0,0|1,0,1]=4 3971 B12R2.1316 Oc1ccc(c(c1)C2CC2)O 271570a_100011220607_100009813629 [1,0,0,1,0,0|1,0,1]=4 3972 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,0,0,1,1,0|2,0,0]=4 3973 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,0,0,1,1,0|2,0,0]=4 3974 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [0,0,0,1,1,0|2,0,0]=4 3975 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,0,0,1,1,0|2,0,0]=4 3976 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,0,0,1,1,0|1,0,0]=3 3977 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,0,0,1,1,0|2,0,0]=4 3978 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,0,0,1,1,0|1,0,0]=3 3979 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,0,0,1,1,0|2,0,0]=4 3980 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,0,0,1,1,0|1,0,0]=3 3981 B14R2.305 Oc1ccc(c(c1)SCC2CO2)O 62a_102125554688_100009813629 [0,0,0,1,0,1|1,0,1]=4 3982 B14R2.305 Oc1ccc(c(c1)SC[C@@H]2CO2)O 62a_100000745022_100009813629 [0,0,0,1,0,1|1,0,1]=4 3983 B14R2.4529 CC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200000210301 [0,0,0,1,0,1|1,0,0]=3 3984 B14R2.4529 CC(=O)N1Cc2ccc(cc2C1)O 240690a_100015195982_100015343762 [0,0,0,1,0,1|2,0,0]=4 3985 B14R2.4529 CC(=O)N1Cc2ccc(cc2C1)O 271570a_203496583355_200015237658 [0,0,0,1,0,1|2,0,0]=4 3986 B14R2.4529 CC(=O)N1Cc2ccc(cc2C1)O 527a_100015195982_100103153847 [0,0,0,1,0,1|2,0,0]=4 3987 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,0,0,1,0,1|1,0,1]=4 3988 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,0,0,1,0,1|1,0,1]=4 3989 B14R2.4529 [13CH3]C(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200025704644 [0,0,0,1,0,1|1,0,0]=3 3990 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200000210301 [0,1,0,1,0,0|2,0,0]=4 3991 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200000210301 [0,1,0,1,0,0|2,0,0]=4 3992 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200000210301 [0,1,0,1,0,0|2,0,0]=4 3993 B14R2.134 O=CC1=Cc2cc(ccc2OC1)O 271570a_203496583355_100000739462 [0,1,0,1,0,0|1,0,1]=4 3994 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200025704644 [0,1,0,1,0,0|2,0,0]=4 3995 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200025704644 [0,1,0,1,0,0|2,0,0]=4 3996 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200025704644 [0,1,0,1,0,0|2,0,0]=4 3997 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [0,1,0,1,0,0|2,0,0]=4 3998 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,1,0,1,0,0|2,0,0]=4 3999 B14R2.4513 CN1C(=O)COc2c1cc(cc2)O 271570a_203496583355_100010196913 [0,1,0,1,0,0|2,0,0]=4 4000 B14R2.4513 Cc1c(ccc2c1NC(=O)CO2)O 271570a_203496583355_100010272156 [0,1,0,1,0,0|2,0,0]=4 4001 B14R2.29365 Cc1cc(cc2c1OCC(=O)N2)O 271570a_203496583355_100012356449 [0,1,0,1,0,0|2,0,0]=4 4002 B14R2.29365 O=C1COc2c(cc(cc2N1)O)F 271570a_203496583355_100012356450 [0,1,0,1,0,0|2,0,0]=4 4003 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,1,0,0|1,0,1]=4 4004 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,1,0,0|2,0,0]=4 4005 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,0,0,1,0|2,0,0]=4 4006 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,1,0|2,0,0]=4 4007 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,1,0|2,0,0]=4 4008 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,1,0|2,0,0]=4 4009 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,1,0|2,0,0]=4 4010 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,1,0|2,0,0]=4 4011 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,1,0|1,0,0]=3 4012 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,1,0|1,0,0]=3 4013 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,1,0|1,0,1]=4 4014 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,1,0|2,0,0]=4 4015 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,0,0,0,1,0|2,0,0]=4 4016 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,0,0,0,1,0|2,0,0]=4 4017 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,1,0|2,0,0]=4 4018 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,1,0|1,0,1]=4 4019 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,0,0,1,0|2,0,0]=4 4020 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,1,0|2,0,0]=4 4021 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,0,0,1,0|1,0,0]=3 4022 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,0,0,0,1,0|2,0,0]=4 4023 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,0,0,0,1,0|2,0,0]=4 4024 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,0,0,0,1,0|2,0,0]=4 4025 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,0,0,0,1,0|2,0,0]=4 4026 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,0,0,0,1,0|1,0,1]=4 4027 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,1,0|2,0,0]=4 4028 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,1,0|2,0,0]=4 4029 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,1,0|2,0,0]=4 4030 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,1,0|2,0,0]=4 4031 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,1,0|1,0,0]=3 4032 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,1,0|1,0,1]=4 4033 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,0,0,0,1,0|2,0,0]=4 4034 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,0,0,0,1,0|2,0,0]=4 4035 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,0,0,0,1,0|2,0,0]=4 4036 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,1,0|2,0,0]=4 4037 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,1,0|2,0,0]=4 4038 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,1,0|2,0,0]=4 4039 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,1,0|2,0,0]=4 4040 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,1,0|2,0,0]=4 4041 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,1,0|1,0,0]=3 4042 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,1,0|1,0,0]=3 4043 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,0,0,0,1,0|2,0,0]=4 4044 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,0,0,0,1,0|2,0,0]=4 4045 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,0,0,0,1,0|2,0,0]=4 4046 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,0,0,0,1,0|1,0,1]=4 4047 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,1,0|2,0,0]=4 4048 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,1,0|2,0,0]=4 4049 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,0,0,0,1,0|2,0,0]=4 4050 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,1,0|1,0,0]=3 4051 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,0,0,0,1,0|2,0,0]=4 4052 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,0,0,0,1,0|2,0,0]=4 4053 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,0,0,0,1,0|2,0,0]=4 4054 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,0,0,0,1,0|1,0,1]=4 4055 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,1,0|2,0,0]=4 4056 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,1,0|2,0,0]=4 4057 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,1,0|2,0,0]=4 4058 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,1,0|2,0,0]=4 4059 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,1,0|1,0,0]=3 4060 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [1,0,0,0,0,1|2,0,0]=4 4061 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [1,0,0,0,0,1|2,0,0]=4 4062 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [1,0,0,0,0,1|2,0,0]=4 4063 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [1,0,0,0,0,1|2,0,0]=4 4064 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,0,0,0,0,1|1,0,1]=4 4065 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [1,0,0,0,0,1|1,0,1]=4 4066 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,0,0,0,0,1|2,0,0]=4 4067 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,0,0,0,0,1|2,0,0]=4 4068 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,0,0,0,0,1|2,0,0]=4 4069 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,0,0,0,0,1|2,0,0]=4 4070 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,0,0,0,0,1|2,0,0]=4 4071 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,0,0,0,0,1|2,0,0]=4 4072 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,0,0,0,0,1|2,0,0]=4 4073 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,0,0,0,0,1|2,0,0]=4 4074 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,0,0,0,0,1|2,0,0]=4 4075 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,0,0,0,0,1|1,0,0]=3 4076 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,0,0,0,0,1|1,0,0]=3 4077 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [1,0,0,0,0,1|2,0,0]=4 4078 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [1,0,0,0,0,1|2,0,0]=4 4079 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [1,0,0,0,0,1|2,0,0]=4 4080 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [1,0,0,0,0,1|2,0,0]=4 4081 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [1,0,0,0,0,1|2,0,0]=4 4082 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,0,0,0,0,1|2,0,0]=4 4083 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,0,0,0,0,1|2,0,0]=4 4084 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,0,0,0,0,1|2,0,0]=4 4085 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,0,0,0,0,1|2,0,0]=4 4086 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,0,0,0,0,1|2,0,0]=4 4087 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,0,0,0,0,1|2,0,0]=4 4088 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,0,0,0,0,1|2,0,0]=4 4089 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,0,0,0,0,1|2,0,0]=4 4090 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,0,0,0,0,1|2,0,0]=4 4091 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,0,0,0,0,1|2,0,0]=4 4092 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,0,0,0,0,1|2,0,0]=4 4093 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,0,0,0,0,1|2,0,0]=4 4094 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,0,0,0,0,1|2,0,0]=4 4095 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,0,0,0,0,1|2,0,0]=4 4096 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,0,0,0,0,1|2,0,0]=4 4097 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,0,0,0,0,1|2,0,0]=4 4098 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,0,0,0,0,1|2,0,0]=4 4099 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,0,0,0,0,1|2,0,0]=4 4100 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,0,0,0,0,1|2,0,0]=4 4101 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,0,0,0,0,1|2,0,0]=4 4102 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,0,0,0,0,1|1,0,0]=3 4103 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,0,0,0,0,1|1,0,0]=3 4104 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,0,0,0,0,1|1,0,0]=3 4105 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [1,0,0,0,0,1|2,0,0]=4 4106 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [1,0,0,0,0,1|2,0,0]=4 4107 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [1,0,0,0,0,1|2,0,0]=4 4108 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [1,0,0,0,0,1|1,0,1]=4 4109 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [1,0,0,0,0,1|1,0,1]=4 4110 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [1,0,0,0,0,1|1,0,1]=4 4111 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [1,0,0,0,0,1|1,0,1]=4 4112 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,0,0,0,0,1|2,0,0]=4 4113 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [1,0,0,0,0,1|2,0,0]=4 4114 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [1,0,0,0,0,1|2,0,0]=4 4115 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [1,0,0,0,0,1|1,0,1]=4 4116 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [1,0,0,0,0,1|2,0,0]=4 4117 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [1,0,0,0,0,1|2,0,0]=4 4118 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [1,0,0,0,0,1|2,0,0]=4 4119 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [1,0,0,0,0,1|1,0,1]=4 4120 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [1,0,0,0,0,1|2,0,0]=4 4121 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [1,0,0,0,0,1|2,0,0]=4 4122 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [1,0,0,0,0,1|1,0,1]=4 4123 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [1,0,0,0,0,1|1,0,1]=4 4124 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,0,0,0,0,1|1,0,0]=3 4125 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [1,0,0,0,0,1|2,0,0]=4 4126 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [1,0,0,0,0,1|2,0,0]=4 4127 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [1,0,0,0,0,1|2,0,0]=4 4128 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [1,0,0,0,0,1|2,0,0]=4 4129 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [1,0,0,0,0,1|1,0,0]=3 4130 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [1,0,0,0,0,1|2,0,0]=4 4131 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [1,0,0,0,0,1|2,0,0]=4 4132 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [1,0,0,0,0,1|2,0,0]=4 4133 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [1,0,0,0,0,1|2,0,0]=4 4134 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [1,0,0,0,0,1|2,0,0]=4 4135 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [1,0,0,0,0,1|2,0,0]=4 4136 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [1,0,0,0,0,1|2,0,0]=4 4137 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [1,0,0,0,0,1|2,0,0]=4 4138 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [1,0,0,0,0,1|2,0,0]=4 4139 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [1,0,0,0,0,1|1,0,0]=3 4140 B12R1.226 NC(=O)CSc1cc(ccn1)O 62a_100000747473_100000762945 [1,0,0,0,0,1|2,0,0]=4 4141 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [1,0,0,0,0,1|2,0,0]=4 4142 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [1,0,0,0,0,1|2,0,0]=4 4143 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [1,0,0,0,0,1|2,0,0]=4 4144 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [1,0,0,0,0,1|2,0,0]=4 4145 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [1,0,0,0,0,1|2,0,0]=4 4146 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [1,0,0,0,0,1|2,0,0]=4 4147 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [1,0,0,0,0,1|2,0,0]=4 4148 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [1,0,0,0,0,1|2,0,0]=4 4149 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [1,0,0,0,0,1|1,0,0]=3 4150 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [1,0,0,0,0,1|1,1,0]=4 4151 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [1,0,0,0,0,1|1,1,0]=4 4152 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000747473_100000754920 [1,0,0,0,0,1|2,0,0]=4 4153 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000754920_100000747473 [1,0,0,0,0,1|2,0,0]=4 4154 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [1,0,0,0,0,1|1,0,1]=4 4155 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [1,0,0,0,0,1|1,0,1]=4 4156 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [1,0,0,0,0,1|1,0,1]=4 4157 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [1,0,0,0,0,1|1,0,1]=4 4158 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [1,0,0,0,0,1|1,0,1]=4 4159 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [1,0,0,0,0,1|1,0,1]=4 4160 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [1,0,0,0,0,1|1,0,1]=4 4161 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [1,0,0,0,0,1|0,0,1]=3 4162 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [1,0,0,0,0,1|1,0,1]=4 4163 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [1,0,0,0,0,1|1,0,1]=4 4164 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [1,0,0,0,0,1|1,0,1]=4 4165 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [1,0,0,0,0,1|1,0,1]=4 4166 B12R1.226 O=C([O-])CSc1cc(ccn1)O 62a_100020667443_100000762945 [1,0,0,0,0,1|1,0,1]=4 4167 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [1,0,0,0,0,1|1,0,1]=4 4168 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [1,0,0,0,0,1|1,0,1]=4 4169 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [1,0,0,0,0,1|1,0,1]=4 4170 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [1,0,0,0,0,1|1,0,1]=4 4171 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [1,0,0,0,0,1|1,0,1]=4 4172 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [1,0,0,0,0,1|1,0,1]=4 4173 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [1,0,0,0,0,1|0,0,1]=3 4174 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [1,0,0,0,0,1|0,1,1]=4 4175 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [1,0,0,0,0,1|0,1,1]=4 4176 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100000754920_100020667443 [1,0,0,0,0,1|1,0,1]=4 4177 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100020667443_100000754920 [1,0,0,0,0,1|1,0,1]=4 4178 B12R1.226 O=[N+]([O-])CNc1cccc(c1)O 34a_100000210217_100000761209 [1,0,0,0,0,1|1,0,1]=4 4179 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [1,0,0,0,0,1|1,0,1]=4 4180 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,0,0,0,0,1|2,0,0]=4 4181 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,0,0,0,0,1|2,0,0]=4 4182 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,0,0,0,0,1|2,0,0]=4 4183 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,0,0,0,0,1|2,0,0]=4 4184 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,0,0,0,0,1|1,0,0]=3 4185 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [1,0,0,0,0,1|2,0,0]=4 4186 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [1,0,0,0,0,1|2,0,0]=4 4187 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [1,0,0,0,0,1|2,0,0]=4 4188 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [1,0,0,0,0,1|2,0,0]=4 4189 B14R1.6072 C=C(C)CCSc1cc(ccc1O)O 62a_100000730704_100009813629 [0,0,0,0,0,2|2,0,0]=4 4190 B14R1.6072 CC(=CCSc1cc(ccc1O)O)C 62a_100000761012_100009813629 [0,0,0,0,0,2|2,0,0]=4 4191 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)O 62a_100000053229_100012339312 [0,0,0,0,0,2|2,0,0]=4 4192 B14R1.6072 CC(=O)CCSc1cc(ccc1Br)O 62a_100012339312_100000053229 [0,0,0,0,0,2|2,0,0]=4 4193 B14R1.6072 CC(=O)CCSc1cc(ccc1C)O 62a_100000053229_100011380479 [0,0,0,0,0,2|2,0,0]=4 4194 B14R1.6072 CC(=O)CCSc1cc(ccc1C)O 62a_100011380479_100000053229 [0,0,0,0,0,2|2,0,0]=4 4195 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)O 62a_100000049588_100000053229 [0,0,0,0,0,2|2,0,0]=4 4196 B14R1.6072 CC(=O)CCSc1cc(ccc1Cl)O 62a_100000053229_100000049588 [0,0,0,0,0,2|2,0,0]=4 4197 B14R1.6072 CC(=O)CCSc1cc(ccc1F)O 62a_100000053229_100000693481 [0,0,0,0,0,2|2,0,0]=4 4198 B14R1.6072 CC(=O)CCSc1cc(ccc1F)O 62a_100000693481_100000053229 [0,0,0,0,0,2|2,0,0]=4 4199 B14R1.6072 CC(=O)CCSc1cc(ccc1N)O 62a_100000053229_100012001276 [0,0,0,0,0,2|2,0,0]=4 4200 B14R1.6072 CC(=O)CCSc1cc(ccc1N)O 62a_100012001276_100000053229 [0,0,0,0,0,2|2,0,0]=4 4201 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Br 62a_100000053229_100012355227 [0,0,0,0,0,2|2,0,0]=4 4202 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Br 62a_100012355227_100000053229 [0,0,0,0,0,2|2,0,0]=4 4203 B14R1.6072 CC(=O)CCSc1cc(ccc1O)C 62a_100000053229_100000765521 [0,0,0,0,0,2|2,0,0]=4 4204 B14R1.6072 CC(=O)CCSc1cc(ccc1O)C 62a_100000765521_100000053229 [0,0,0,0,0,2|2,0,0]=4 4205 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Cl 62a_100000053229_100011356953 [0,0,0,0,0,2|2,0,0]=4 4206 B14R1.6072 CC(=O)CCSc1cc(ccc1O)Cl 62a_100011356953_100000053229 [0,0,0,0,0,2|2,0,0]=4 4207 B14R1.6072 CC(=O)CCSc1cc(ccc1O)F 62a_100000053229_100000211999 [0,0,0,0,0,2|2,0,0]=4 4208 B14R1.6072 CC(=O)CCSc1cc(ccc1O)F 62a_100000211999_100000053229 [0,0,0,0,0,2|2,0,0]=4 4209 B14R1.6072 CC(=O)CCSc1cc(ccc1O)N 62a_100000053229_100011534360 [0,0,0,0,0,2|2,0,0]=4 4210 B14R1.6072 CC(=O)CCSc1cc(ccc1O)N 62a_100011534360_100000053229 [0,0,0,0,0,2|2,0,0]=4 4211 B14R1.6072 CC(=O)CCSc1cc(ccc1O)O 62a_100000053229_100009813629 [0,0,0,0,0,2|1,0,0]=3 4212 B14R1.6072 CC(=O)COCc1cc(ccc1O)F 34a_100000211253_100010161318 [0,0,0,0,0,2|2,0,0]=4 4213 B14R1.6072 CC(=O)NN=Cc1cc(ccc1O)O 4a_100000189765_100011219918 [0,0,0,0,0,2|1,0,1]=4 4214 B14R1.6072 CC(=O)OCNc1cc(ccc1Br)O 34a_100011999798_100009813279 [0,0,0,0,0,2|2,0,0]=4 4215 B14R1.6072 CC(=O)OCNc1cc(ccc1C)O 34a_100011216113_100009813279 [0,0,0,0,0,2|2,0,0]=4 4216 B14R1.6072 CC(=O)OCNc1cc(ccc1Cl)O 34a_100011934297_100009813279 [0,0,0,0,0,2|2,0,0]=4 4217 B14R1.6072 CC(=O)OCNc1cc(ccc1F)O 34a_100012017239_100009813279 [0,0,0,0,0,2|2,0,0]=4 4218 B14R1.6072 CC(=O)OCNc1cc(ccc1O)Br 34a_100000752626_100009813279 [0,0,0,0,0,2|2,0,0]=4 4219 B14R1.6072 CC(=O)OCNc1cc(ccc1O)C 34a_100011215204_100009813279 [0,0,0,0,0,2|2,0,0]=4 4220 B14R1.6072 CC(=O)OCNc1cc(ccc1O)Cl 34a_100000210500_100009813279 [0,0,0,0,0,2|2,0,0]=4 4221 B14R1.6072 CC(=O)OCNc1cc(ccc1O)F 34a_100000759472_100009813279 [0,0,0,0,0,2|2,0,0]=4 4222 B14R1.6072 CC(=O)OCSc1cc(ccc1Br)O 62a_100000076356_100012339312 [0,0,0,0,0,2|2,0,0]=4 4223 B14R1.6072 CC(=O)OCSc1cc(ccc1Br)O 62a_100012339312_100000076356 [0,0,0,0,0,2|2,0,0]=4 4224 B14R1.6072 CC(=O)OCSc1cc(ccc1C)O 62a_100000076356_100011380479 [0,0,0,0,0,2|2,0,0]=4 4225 B14R1.6072 CC(=O)OCSc1cc(ccc1C)O 62a_100011380479_100000076356 [0,0,0,0,0,2|2,0,0]=4 4226 B14R1.6072 CC(=O)OCSc1cc(ccc1Cl)O 62a_100000049588_100000076356 [0,0,0,0,0,2|2,0,0]=4 4227 B14R1.6072 CC(=O)OCSc1cc(ccc1Cl)O 62a_100000076356_100000049588 [0,0,0,0,0,2|2,0,0]=4 4228 B14R1.6072 CC(=O)OCSc1cc(ccc1F)O 62a_100000076356_100000693481 [0,0,0,0,0,2|2,0,0]=4 4229 B14R1.6072 CC(=O)OCSc1cc(ccc1F)O 62a_100000693481_100000076356 [0,0,0,0,0,2|2,0,0]=4 4230 B14R1.6072 CC(=O)OCSc1cc(ccc1N)O 62a_100000076356_100012001276 [0,0,0,0,0,2|2,0,0]=4 4231 B14R1.6072 CC(=O)OCSc1cc(ccc1N)O 62a_100012001276_100000076356 [0,0,0,0,0,2|2,0,0]=4 4232 B14R1.6072 CC(=O)OCSc1cc(ccc1O)Br 62a_100000076356_100012355227 [0,0,0,0,0,2|2,0,0]=4 4233 B14R1.6072 CC(=O)OCSc1cc(ccc1O)Br 62a_100012355227_100000076356 [0,0,0,0,0,2|2,0,0]=4 4234 B14R1.6072 CC(=O)OCSc1cc(ccc1O)C 62a_100000076356_100000765521 [0,0,0,0,0,2|2,0,0]=4 4235 B14R1.6072 CC(=O)OCSc1cc(ccc1O)C 62a_100000765521_100000076356 [0,0,0,0,0,2|2,0,0]=4 4236 B14R1.6072 CC(=O)OCSc1cc(ccc1O)Cl 62a_100000076356_100011356953 [0,0,0,0,0,2|2,0,0]=4 4237 B14R1.6072 CC(=O)OCSc1cc(ccc1O)Cl 62a_100011356953_100000076356 [0,0,0,0,0,2|2,0,0]=4 4238 B14R1.6072 CC(=O)OCSc1cc(ccc1O)F 62a_100000076356_100000211999 [0,0,0,0,0,2|2,0,0]=4 4239 B14R1.6072 CC(=O)OCSc1cc(ccc1O)F 62a_100000211999_100000076356 [0,0,0,0,0,2|2,0,0]=4 4240 B14R1.6072 CC(=O)OCSc1cc(ccc1O)N 62a_100000076356_100011534360 [0,0,0,0,0,2|2,0,0]=4 4241 B14R1.6072 CC(=O)OCSc1cc(ccc1O)N 62a_100011534360_100000076356 [0,0,0,0,0,2|2,0,0]=4 4242 B14R1.6072 CC(=O)OCSc1cc(ccc1O)O 62a_100000076356_100009813629 [0,0,0,0,0,2|1,0,0]=3 4243 B14R1.6072 CC(O)CCSc1cc(ccc1O)O 62a_100012276601_100009813629 [0,0,0,0,0,2|1,0,1]=4 4244 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)C 269956a_100016091260_100000184699 [0,0,0,0,0,2|2,0,0]=4 4245 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)Cl 269956a_100016091260_100009871730 [0,0,0,0,0,2|2,0,0]=4 4246 B14R1.6072 Cc1ccc(c(c1)CNCC(=O)O)F 269956a_100016091260_100011260760 [0,0,0,0,0,2|2,0,0]=4 4247 B14R1.6072 Cc1ccc(c(c1)NCCC(=O)N)O 34a_100011215204_100000731001 [0,0,0,0,0,2|2,0,0]=4 4248 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)O 62a_100000744528_100000765521 [0,0,0,0,0,2|2,0,0]=4 4249 B14R1.6072 Cc1ccc(c(c1)SCCC(=O)N)O 62a_100000765521_100000744528 [0,0,0,0,0,2|2,0,0]=4 4250 B14R1.6072 Cc1ccc(c(n1)CNCC(=O)O)O 269956a_100016091260_100020630696 [0,0,0,0,0,2|2,0,0]=4 4251 B14R1.6072 Cc1ccc(cc1CNCC(=O)N)O 34a_200009844824_100000187820 [0,0,0,0,0,2|2,0,0]=4 4252 B14R1.6072 Cc1ccc(cc1CNCC(=O)O)Cl 269956a_100016091260_100012186985 [0,0,0,0,0,2|2,0,0]=4 4253 B14R1.6072 Cc1ccc(cc1CNCC(=O)O)F 269956a_100016091260_100000709795 [0,0,0,0,0,2|2,0,0]=4 4254 B14R1.6072 Cc1ccc(cc1CNCC(=O)[O-])O 34a_200009844824_100020667443 [0,0,0,0,0,2|1,0,1]=4 4255 B14R1.6072 Cc1ccc(cc1NCCC(=O)N)O 34a_100011216113_100000731001 [0,0,0,0,0,2|2,0,0]=4 4256 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)O 62a_100000744528_100011380479 [0,0,0,0,0,2|2,0,0]=4 4257 B14R1.6072 Cc1ccc(cc1SCCC(=O)N)O 62a_100011380479_100000744528 [0,0,0,0,0,2|2,0,0]=4 4258 B14R1.6072 NC(=O)CCNc1cc(ccc1Br)O 34a_100011999798_100000731001 [0,0,0,0,0,2|2,0,0]=4 4259 B14R1.6072 NC(=O)CCNc1cc(ccc1Cl)O 34a_100011934297_100000731001 [0,0,0,0,0,2|2,0,0]=4 4260 B14R1.6072 NC(=O)CCNc1cc(ccc1F)O 34a_100012017239_100000731001 [0,0,0,0,0,2|2,0,0]=4 4261 B14R1.6072 NC(=O)CCNc1cc(ccc1O)Br 34a_100000752626_100000731001 [0,0,0,0,0,2|2,0,0]=4 4262 B14R1.6072 NC(=O)CCNc1cc(ccc1O)Cl 34a_100000210500_100000731001 [0,0,0,0,0,2|2,0,0]=4 4263 B14R1.6072 NC(=O)CCNc1cc(ccc1O)F 34a_100000759472_100000731001 [0,0,0,0,0,2|2,0,0]=4 4264 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)O 62a_100000744528_100012339312 [0,0,0,0,0,2|2,0,0]=4 4265 B14R1.6072 NC(=O)CCSc1cc(ccc1Br)O 62a_100012339312_100000744528 [0,0,0,0,0,2|2,0,0]=4 4266 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)O 62a_100000049588_100000744528 [0,0,0,0,0,2|2,0,0]=4 4267 B14R1.6072 NC(=O)CCSc1cc(ccc1Cl)O 62a_100000744528_100000049588 [0,0,0,0,0,2|2,0,0]=4 4268 B14R1.6072 NC(=O)CCSc1cc(ccc1F)O 62a_100000693481_100000744528 [0,0,0,0,0,2|2,0,0]=4 4269 B14R1.6072 NC(=O)CCSc1cc(ccc1F)O 62a_100000744528_100000693481 [0,0,0,0,0,2|2,0,0]=4 4270 B14R1.6072 NC(=O)CCSc1cc(ccc1N)O 62a_100000744528_100012001276 [0,0,0,0,0,2|2,0,0]=4 4271 B14R1.6072 NC(=O)CCSc1cc(ccc1N)O 62a_100012001276_100000744528 [0,0,0,0,0,2|2,0,0]=4 4272 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Br 62a_100000744528_100012355227 [0,0,0,0,0,2|2,0,0]=4 4273 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Br 62a_100012355227_100000744528 [0,0,0,0,0,2|2,0,0]=4 4274 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Cl 62a_100000744528_100011356953 [0,0,0,0,0,2|2,0,0]=4 4275 B14R1.6072 NC(=O)CCSc1cc(ccc1O)Cl 62a_100011356953_100000744528 [0,0,0,0,0,2|2,0,0]=4 4276 B14R1.6072 NC(=O)CCSc1cc(ccc1O)F 62a_100000211999_100000744528 [0,0,0,0,0,2|2,0,0]=4 4277 B14R1.6072 NC(=O)CCSc1cc(ccc1O)F 62a_100000744528_100000211999 [0,0,0,0,0,2|2,0,0]=4 4278 B14R1.6072 NC(=O)CCSc1cc(ccc1O)N 62a_100000744528_100011534360 [0,0,0,0,0,2|2,0,0]=4 4279 B14R1.6072 NC(=O)CCSc1cc(ccc1O)N 62a_100011534360_100000744528 [0,0,0,0,0,2|2,0,0]=4 4280 B14R1.6072 NC(=O)CCSc1cc(ccc1O)O 62a_100000744528_100009813629 [0,0,0,0,0,2|1,0,0]=3 4281 B14R1.6072 NC(=O)CNCc1cc(ccc1O)Br 34a_100000730032_100000187820 [0,0,0,0,0,2|2,0,0]=4 4282 B14R1.6072 NC(=O)CNCc1cc(ccc1O)Cl 34a_100000238540_100000187820 [0,0,0,0,0,2|2,0,0]=4 4283 B14R1.6072 NC(=O)CSCc1cc(ccc1O)F 62a_100000747473_100010161318 [0,0,0,0,0,2|2,0,0]=4 4284 B14R1.6072 NC(=O)CSCc1cc(ccc1O)F 62a_100010161318_100000747473 [0,0,0,0,0,2|2,0,0]=4 4285 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)Br 269956a_100016091260_100011982794 [0,0,0,0,0,2|2,0,0]=4 4286 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)Cl 269956a_100016091260_100000733903 [0,0,0,0,0,2|2,0,0]=4 4287 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)F 269956a_100016091260_100000736370 [0,0,0,0,0,2|2,0,0]=4 4288 B14R1.6072 O=C(O)CNCc1cc(ccc1Br)I 269956a_100016091260_100012355412 [0,0,0,0,0,2|2,0,0]=4 4289 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)Br 269956a_100016091260_100000763347 [0,0,0,0,0,2|2,0,0]=4 4290 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)Cl 269956a_100016091260_100000754809 [0,0,0,0,0,2|2,0,0]=4 4291 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)F 269956a_100016091260_100000709952 [0,0,0,0,0,2|2,0,0]=4 4292 B14R1.6072 O=C(O)CNCc1cc(ccc1Cl)I 269956a_100016091260_100010188191 [0,0,0,0,0,2|2,0,0]=4 4293 B14R1.6072 O=C(O)CNCc1cc(ccc1F)Br 269956a_100016091260_100000736399 [0,0,0,0,0,2|2,0,0]=4 4294 B14R1.6072 O=C(O)CNCc1cc(ccc1F)Cl 269956a_100016091260_100000716957 [0,0,0,0,0,2|2,0,0]=4 4295 B14R1.6072 O=C(O)CNCc1cc(ccc1F)F 269956a_100016091260_100000685659 [0,0,0,0,0,2|2,0,0]=4 4296 B14R1.6072 O=C(O)CNCc1cc(ccc1F)I 269956a_100016091260_200010149601 [0,0,0,0,0,2|2,0,0]=4 4297 B14R1.6072 O=C(O)CNCc1cc(ccc1I)Br 269956a_100016091260_100012362523 [0,0,0,0,0,2|2,0,0]=4 4298 B14R1.6072 O=C(O)CNCc1cc(ccc1I)Cl 269956a_100016091260_100012348826 [0,0,0,0,0,2|2,0,0]=4 4299 B14R1.6072 O=C(O)CNCc1cc(ccc1I)F 269956a_100016091260_100010149606 [0,0,0,0,0,2|2,0,0]=4 4300 B14R1.6072 O=C(O)CNCc1cc(ccc1O)F 269956a_100016091260_100010161318 [0,0,0,0,0,2|1,0,0]=3 4301 B14R1.6072 O=C([O-])CNCc1cc(ccc1O)Br 34a_100000730032_100020667443 [0,0,0,0,0,2|1,0,1]=4 4302 B14R1.6072 O=C([O-])CNCc1cc(ccc1O)Cl 34a_100000238540_100020667443 [0,0,0,0,0,2|1,0,1]=4 4303 B14R1.6072 O=C([O-])CSCc1cc(ccc1O)F 62a_100010161318_100020667443 [0,0,0,0,0,2|1,0,1]=4 4304 B14R1.6072 O=C([O-])CSCc1cc(ccc1O)F 62a_100020667443_100010161318 [0,0,0,0,0,2|1,0,1]=4