0 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.20 CC(=O)Nc1ccc(cc1)Br AS00912 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.20 CC(=O)Nc1ccc(cc1)Cl AS02675 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.20 CC(=O)Nc1ccc(cc1)F AS00825 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.20 CC(=O)Nc1ccc(cc1)I AS02201 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AS07036 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.20 CC(=O)Oc1ccc(cc1)F AS02347 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.20 CC(C)Cc1ccc(cc1)Br AS05659 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.20 CC(C)Oc1ccc(cc1)N AS05394 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.20 CC(Oc1ccc(cc1)Br)Cl AS03451 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.20 Cc1ccc(cc1)NC(=O)C AS00879 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] AS06245 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.20 c1cc(ccc1N)OC(F)F AS00470 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.20 c1cc(ccc1OC(F)F)Br AS03208 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.20 c1cc(ccc1OC(F)F)Cl AS02695 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.20 c1cc(ccc1OC(F)F)I AS02511 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br AS06247 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.1 CCOc1ccc(cc1)Br AS03448 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.1 CCOc1ccc(cc1)F AS02638 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.1 CCOc1ccc(cc1)I AS02282 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.1 Cc1ccc(cc1)CC#N AS01373 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.1 Cc1ccc(cc1)CC#N AS06119 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.1 Cc1ccc(cc1)CCN AS00487 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.1 Cc1ccc(cc1)CCO AS00590 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.1 c1cc(ccc1N=C=O)Br AS04397 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 c1cc(ccc1N=C=O)F AS00722 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.18 CC(Cc1ccccc1)O AS07220 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.4 CC(=O)Nc1ccc(cc1)OC AS00987 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.4 CC(=O)Oc1ccc(cc1)C=O AS03005 [0,1,0,0,0,0|0,0,1]=2 35 B12R1.4 CC(C)Oc1ccc(cc1)C#N AS03769 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.4 CC(C)Oc1ccc(cc1)C=O AS03945 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.4 CC(C)Oc1ccc(cc1)CO AS04001 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.4 CCc1ccc(cc1)CC(=O)C AS05185 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.4 c1cc(ccc1CBr)OC(F)F AS00698 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.4 c1cc(ccc1CC(=O)O)C#N AS06094 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.4 c1cc(ccc1CC(=O)O)CBr AS00533 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.4 c1cc(ccc1CN)OC(F)F AS02244 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br AS03114 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl AS02964 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F AS02717 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br AS03260 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F AS00793 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.19 CC(=O)Oc1ccc(c(c1)Br)Cl AS02342 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.19 CC(C)Oc1ccc(c(c1)Br)Cl AS03171 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.19 CC(C)Oc1ccc(c(c1)F)F AS02514 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.19 Cc1cc(ccc1Br)CC(=O)O AS00510 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.19 Cc1cc(ccc1Br)NC(=O)C AS03410 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.19 Cc1cc(ccc1Cl)NC(=O)C AS02802 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.19 Cc1ccc(cc1C)CC(=O)O AS06102 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.19 Cc1ccc(cc1F)NC(=O)C AS06994 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F AS00525 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O AS06081 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl AS00498 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F AS00500 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl AS00535 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.19 c1cc(c(cc1CC(=O)O)F)F AS01966 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.19 c1cc(c(cc1CC(=O)O)F)O AS02173 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AS06783 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.20 c1cc(ccc1C(=O)C(=O)O)Cl AS06628 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AS06688 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AS06728 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O AS06748 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.49 COC(=O)Cc1ccc(cc1)O AS06110 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br AS05671 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl AS07181 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.106 Cc1ccc(cc1)OC(C)(C)C AS01012 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br AS03495 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl AS03112 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.233 CC(=O)Nc1ccc(cc1Br)F AS03257 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br AS03113 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl AS02848 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F AS02716 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.233 CC(=O)Nc1ccc(cc1F)Br AS03259 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl AS02718 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.233 CC(=O)Nc1ccc(cc1F)F AS00792 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl AS03170 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.233 CC(C)Oc1ccc(cc1Br)F AS03332 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br AS03172 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.233 CC(C)Oc1ccc(cc1Cl)F AS02756 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.233 CC(C)Oc1ccc(cc1F)Br AS03333 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.233 CC(C)Oc1ccc(cc1F)F AS02513 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.233 Cc1cc(ccc1CC(=O)O)F AS00504 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.233 Cc1cc(ccc1NC(=O)C)Br AS03409 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C AS03408 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.233 Cc1ccc(c(c1)Cl)NC(=O)C AS02800 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.233 Cc1ccc(c(c1)F)CC(=O)O AS01083 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O AS06078 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O AS00523 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O AS00536 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O AS00526 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.233 c1cc(c(cc1F)F)CC(=O)O AS01963 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.233 c1cc(c(cc1N)F)CC(=O)O AS06072 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.233 c1cc(c(cc1O)F)CC(=O)O AS00528 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.606 Cc1[nH]c2ccc(cc2n1)F AS07081 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br AS06046 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.606 Cc1cc2cc(ccc2[nH]1)F AS06056 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.606 Cc1cc2ccc(cc2[nH]1)F AS06057 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.606 c1cc2c(cc1Br)nc(o2)N AS06399 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AS06884 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.13 B(c1ccc(cc1)C)(O)O AS07183 [0,0,0,0,1,0|2,0,1]=4 106 B10R1.13 CC(=C)c1ccc(cc1)O AS06541 [0,0,0,0,1,0|2,0,0]=3 107 B10R1.13 CC(=O)c1ccc(cc1)Br AS01178 [0,0,0,0,1,0|1,0,0]=2 108 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [0,0,0,0,1,0|1,0,0]=2 109 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [0,0,0,0,1,0|1,0,0]=2 110 B10R1.13 CC(=O)c1ccc(cc1)I AS04012 [0,0,0,0,1,0|1,0,0]=2 111 B10R1.13 CC(=O)c1ccc(cc1)N AS01150 [0,0,0,0,1,0|1,0,0]=2 112 B10R1.13 CC(=O)c1ccc(cc1)O AS01158 [0,0,0,0,1,0|1,0,0]=2 113 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,0,0,0,1,0|2,0,0]=3 114 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,0,0,0,1,0|2,0,0]=3 115 B10R1.13 CC(C)c1ccc(cc1)I AS02289 [0,0,0,0,1,0|2,0,1]=4 116 B10R1.13 CC(C)c1ccc(cc1)S AS00078 [0,0,0,0,1,0|2,0,1]=4 117 B10R1.13 CC(c1ccc(cc1)Br)N AS03462 [0,0,0,0,1,0|2,0,1]=4 118 B10R1.13 CC(c1ccc(cc1)Br)O AS03465 [0,0,0,0,1,0|1,0,2]=4 119 B10R1.13 CC(c1ccc(cc1)Cl)Br AS06898 [0,0,0,0,1,0|2,0,1]=4 120 B10R1.13 CC(c1ccc(cc1)Cl)N AS02836 [0,0,0,0,1,0|2,0,1]=4 121 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [0,0,0,0,1,0|1,0,2]=4 122 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [0,0,0,0,1,0|1,0,2]=4 123 B10R1.13 CN(C)c1ccc(cc1)Cl AS05322 [0,0,0,0,1,0|3,0,0]=4 124 B10R1.13 CN(C)c1ccc(cc1)O AS06531 [0,0,0,0,1,0|3,0,0]=4 125 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [0,0,0,0,1,0|0,0,0]=1 126 B10R1.13 Cc1ccc(cc1)C(=O)Cl AS00020 [0,0,0,0,1,0|1,0,0]=2 127 B10R1.13 Cc1ccc(cc1)C(=O)N AS05901 [0,0,0,0,1,0|1,0,0]=2 128 B10R1.13 Cc1ccc(cc1)C(=O)O AS00864 [0,0,0,0,1,0|1,0,0]=2 129 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] AS01013 [0,0,0,0,1,0|2,0,0]=3 130 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] AS04952 [0,0,0,0,1,0|3,0,0]=4 131 B10R1.13 c1cc(ccc1C(=N)N)N AS01794 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.13 c1cc(ccc1C(=N)N)N AS01988 [0,0,0,0,1,0|3,0,0]=4 133 B10R1.13 c1cc(ccc1C(=O)Cl)I AS00009 [0,0,0,0,1,0|2,0,0]=3 134 B10R1.13 c1cc(ccc1C(=O)N)Br AS00920 [0,0,0,0,1,0|2,0,0]=3 135 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [0,0,0,0,1,0|2,0,0]=3 136 B10R1.13 c1cc(ccc1C(=O)N)F AS00831 [0,0,0,0,1,0|2,0,0]=3 137 B10R1.13 c1cc(ccc1C(=O)O)Br AS00815 [0,0,0,0,1,0|2,0,0]=3 138 B10R1.13 c1cc(ccc1C(=O)O)Cl AS00806 [0,0,0,0,1,0|2,0,0]=3 139 B10R1.13 c1cc(ccc1C(=O)O)F AS00747 [0,0,0,0,1,0|2,0,0]=3 140 B10R1.13 c1cc(ccc1C(=O)O)I AS02218 [0,0,0,0,1,0|2,0,0]=3 141 B10R1.13 c1cc(ccc1C(=O)O)N AS00762 [0,0,0,0,1,0|2,0,0]=3 142 B10R1.13 c1cc(ccc1C(=O)[O-])F AS00778 [0,0,0,0,1,0|2,0,0]=3 143 B10R1.13 c1cc(ccc1C(=S)N)Cl AS06630 [0,0,0,0,1,0|2,1,0]=4 144 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] AS00442 [0,0,0,0,1,0|3,0,0]=4 145 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br AS05660 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.13 c1cc(ccc1[N+](=O)[O-])F AS00083 [0,0,0,0,1,0|3,0,0]=4 147 B10R1.13 c1cc(ccc1[N+](=O)[O-])O AS00220 [0,0,0,0,1,0|3,0,0]=4 148 B10R1.13 c1cc(ncc1C(=O)O)F AS04828 [0,0,0,0,1,0|3,0,0]=4 149 B10R1.13 c1cc(ncc1Cl)C(=O)O AS04938 [0,0,0,0,1,0|3,0,0]=4 150 B10R1.13 c1cc(ncc1F)C(=O)O AS04870 [0,0,0,0,1,0|3,0,0]=4 151 B12R1.21 c1cc(ccc1C=CC(=O)O)Br AS03178 [0,0,0,0,0,1|3,0,0]=4 152 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl AS02692 [0,0,0,0,0,1|3,0,0]=4 153 B12R1.21 c1cc(ccc1C=CC(=O)O)F AS01284 [0,0,0,0,0,1|3,0,0]=4 154 B12R1.21 c1cc(ccc1C=CC(=O)O)I AS02228 [0,0,0,0,0,1|3,0,0]=4 155 B12R1.21 c1cc(ccc1C=CC(=O)O)O AS03322 [0,0,0,0,0,1|3,0,0]=4 156 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [0,0,0,0,0,1|3,0,0]=4 157 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.1 C=Cc1ccc(cc1)Br AS03806 [2,0,0,0,0,0|1,0,1]=4 159 B9R1.1 C=Cc1ccc(cc1)F AS03795 [2,0,0,0,0,0|1,0,1]=4 160 B9R1.1 CCc1ccc(cc1)Br AS03254 [2,0,0,0,0,0|1,0,1]=4 161 B9R1.1 CCc1ccc(cc1)F AS04424 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.1 CCc1ccc(cc1)I AS02159 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.1 CNc1ccc(cc1)I AS05390 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.1 COc1ccc(cc1)Br AS02358 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.1 COc1ccc(cc1)Cl AS01802 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.1 COc1ccc(cc1)F AS02586 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.1 COc1ccc(cc1)I AS02208 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.1 COc1ccc(cc1)O AS04576 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.1 COc1ccc(cn1)Br AS03404 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 COc1ccc(cn1)F AS04877 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 COc1ccc(nc1)Br AS04912 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 CSc1ccc(cc1)Br AS04293 [2,0,0,0,0,0|1,1,0]=4 173 B9R1.1 CSc1ccc(cc1)Cl AS04289 [2,0,0,0,0,0|1,1,0]=4 174 B9R1.1 CSc1ccc(cc1)F AS04286 [2,0,0,0,0,0|1,1,0]=4 175 B9R1.1 CSc1ccc(cc1)N AS04283 [2,0,0,0,0,0|1,1,0]=4 176 B9R1.1 Cc1ccc(cc1)C#N AS03761 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.1 Cc1ccc(cc1)C=O AS02824 [2,0,0,0,0,0|0,0,0]=2 178 B9R1.1 Cc1ccc(cc1)CCl AS00637 [2,0,0,0,0,0|1,0,1]=4 179 B9R1.1 Cc1ccc(cc1)SC AS04302 [2,0,0,0,0,0|0,1,0]=3 180 B9R1.1 c1cc(ccc1C=O)Br AS02893 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.1 c1cc(ccc1C=O)F AS02846 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.1 c1cc(ccc1C=O)F AS03001 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.1 c1cc(ccc1C=O)I AS03916 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.1 c1cc(ccc1C=O)N AS06990 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.1 c1cc(ccc1C=O)O AS02994 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.1 c1cc(ccc1OS)I AS02948 [2,0,0,0,0,0|1,1,0]=4 188 B9R1.1 c1cc(ncc1C=O)Br AS06180 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.8 c1ccc(cc1)N=C=O AS04076 [2,0,0,0,0,0|1,0,1]=4 190 B11R1.1 c1cc(ccc1OCCBr)Cl AS04621 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.1 c1cc(ccc1OCCBr)F AS03327 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.1 c1cc(ccc1OCCO)Br AS03962 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.22 Cc1ccc(cc1)C(=O)OC AS01339 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.81 CCOc1ccc(cc1Cl)F AS02749 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.81 CCOc1ccc(cc1F)Cl AS02753 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.83 CCOc1ccc(cc1)CO AS05972 [1,1,0,0,0,0|0,0,1]=3 197 B11R1.83 COc1ccc(cc1)CC=O AS04419 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.192 CCOc1ccc(c(c1)C)C AS02547 [1,1,0,0,0,0|0,0,1]=3 199 B11R1.192 CCOc1ccc(c(c1)Cl)Cl AS02888 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.192 CCOc1ccc(c(c1)Cl)F AS02751 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.192 CCOc1ccc(c(c1)F)Cl AS02754 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.192 CCOc1ccc(c(c1)F)F AS02512 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.192 CCOc1ccc(c(c1)N)N AS02108 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O AS01425 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.40 c1ccc(cc1)NC(=O)CBr AS00910 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.40 c1ccc(cc1)NC(=O)CCl AS02673 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.40 c1ccc(cc1)NC(=O)CF AS00823 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.86 CC(=O)Cc1ccccc1Br AS05236 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.86 CC(=O)Nc1ccccc1I AS02199 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.86 CC(=O)Nc1ccccc1O AS00888 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.86 CC(=O)Oc1ccccc1Br AS02339 [1,1,0,0,0,0|0,0,0]=2 212 B11R1.86 CC(=O)Oc1ccccc1F AS02345 [1,1,0,0,0,0|0,0,0]=2 213 B11R1.86 CC(=O)Oc1ccccc1I AS02979 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.86 CC(C)Oc1ccccc1Br AS03456 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.86 Cc1ccccc1NC(=O)C AS00877 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.86 c1ccc(c(c1)CC(=O)O)Br AS00524 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl AS05022 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.86 c1ccc(c(c1)CC(=O)O)F AS00497 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.86 c1ccc(c(c1)CC(=O)O)I AS00532 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.157 CC(=O)Cc1cccc(c1)Cl AS05237 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.157 CC(=O)Nc1cccc(c1)Br AS00911 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.157 CC(=O)Nc1cccc(c1)Cl AS02674 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.157 CC(=O)Nc1cccc(c1)F AS00824 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.157 CC(=O)Nc1cccc(c1)I AS02200 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.157 CC(=O)Nc1cccc(c1)O AS00889 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.157 CC(=O)Oc1cccc(c1)Br AS02340 [1,1,0,0,0,0|0,0,0]=2 227 B11R1.157 CC(=O)Oc1cccc(c1)Cl AS02343 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.157 CC(=O)Oc1cccc(c1)F AS02346 [1,1,0,0,0,0|0,0,0]=2 229 B11R1.157 CC(C)Oc1cccc(c1)Br AS01613 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.157 CC(C)Oc1cccc(c1)F AS00941 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.157 Cc1cccc(c1)CC(=O)O AS00531 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.157 Cc1cccc(c1)NC(=O)C AS00878 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.157 Cc1cccc(c1)OC(=O)C AS01252 [1,1,0,0,0,0|0,0,0]=2 234 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AS00508 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N AS06809 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AS05023 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.157 c1cc(cc(c1)F)CC(=O)O AS00520 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.157 c1cc(cc(c1)I)CC(=O)O AS00542 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.3 CC(=O)c1ccc(cc1)C#N AS05151 [0,1,0,0,1,0|0,0,1]=3 240 B11R1.3 CC(C)c1ccc(cc1)OC AS01008 [0,1,0,0,1,0|1,0,1]=4 241 B11R1.3 CC(c1ccc(cc1)OC)N AS04622 [0,1,0,0,1,0|1,0,1]=4 242 B11R1.3 CCc1ccc(cc1)C(=O)C AS03877 [0,1,0,0,1,0|0,0,0]=2 243 B11R1.3 CCc1ccc(cc1)C(C)N AS00822 [0,1,0,0,1,0|1,0,1]=4 244 B11R1.3 CN(C)c1ccc(cc1)OC AS04610 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] AS04616 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.3 COc1ccc(cc1)C(=O)Cl AS00015 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.3 COc1ccc(cc1)C(=O)O AS00727 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.3 COc1ccc(cc1)C(=O)O AS03913 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] AS01804 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.3 COc1ccc(cn1)C(=O)O AS01298 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] AS04280 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.3 C[C@H](c1ccc(cc1)OC)N AS04502 [0,1,0,0,1,0|1,0,1]=4 253 B11R1.3 c1cc(ccc1C(=O)O)NN AS06885 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.3 c1cc(ccc1C(=O)O)NN AS06946 [0,1,0,0,1,0|2,0,0]=4 255 B11R1.3 c1cc(ccc1C=O)C(=O)O AS00836 [0,1,0,0,1,0|1,0,1]=4 256 B11R1.3 c1cc(ccc1CBr)C(=O)O AS00835 [0,1,0,0,1,0|1,0,0]=3 257 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] AS00716 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.3 c1cc(ccc1CCl)C(=O)O AS00731 [0,1,0,0,1,0|1,0,0]=3 259 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] AS02053 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.3 c1cc(ccc1CN)C(=O)O AS06858 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] AS00573 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br AS03854 [0,1,0,0,1,0|1,0,0]=3 263 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl AS05101 [0,1,0,0,1,0|1,0,0]=3 264 B11R1.21 CC(=O)c1ccc(c(c1)Br)F AS01132 [0,1,0,0,1,0|1,0,0]=3 265 B11R1.21 CC(=O)c1ccc(c(c1)Br)N AS05067 [0,1,0,0,1,0|1,0,0]=3 266 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl AS03863 [0,1,0,0,1,0|1,0,0]=3 267 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F AS01148 [0,1,0,0,1,0|1,0,0]=3 268 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O AS05145 [0,1,0,0,1,0|1,0,0]=3 269 B11R1.21 CC(=O)c1ccc(c(c1)F)Br AS05111 [0,1,0,0,1,0|1,0,0]=3 270 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl AS01173 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.21 CC(=O)c1ccc(c(c1)F)F AS01192 [0,1,0,0,1,0|1,0,0]=3 272 B11R1.21 CC(=O)c1ccc(c(c1)F)N AS01172 [0,1,0,0,1,0|1,0,0]=3 273 B11R1.21 CC(=O)c1ccc(c(c1)F)O AS01203 [0,1,0,0,1,0|1,0,0]=3 274 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl AS05249 [0,1,0,0,1,0|1,0,0]=3 275 B11R1.21 CC(=O)c1ccc(c(c1)N)F AS04017 [0,1,0,0,1,0|1,0,0]=3 276 B11R1.21 CC(=O)c1ccc(c(c1)O)F AS03881 [0,1,0,0,1,0|1,0,0]=3 277 B11R1.21 Cc1cc(ccc1Br)C(=O)C AS03824 [0,1,0,0,1,0|1,0,0]=3 278 B11R1.21 Cc1cc(ccc1Br)C(=O)C AS05124 [0,1,0,0,1,0|1,0,0]=3 279 B11R1.21 Cc1cc(ccc1Br)C(=O)N AS03423 [0,1,0,0,1,0|2,0,0]=4 280 B11R1.21 Cc1cc(ccc1Br)C(=O)O AS02483 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.21 Cc1cc(ccc1Cl)C(=O)C AS03848 [0,1,0,0,1,0|1,0,0]=3 282 B11R1.21 Cc1cc(ccc1Cl)C(=O)N AS02813 [0,1,0,0,1,0|2,0,0]=4 283 B11R1.21 Cc1cc(ccc1Cl)C(=O)O AS00788 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.21 Cc1cc(ccc1F)C(=O)C AS05267 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.21 Cc1cc(ccc1F)C(=O)Cl AS00026 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.21 Cc1cc(ccc1F)C(=O)O AS01875 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.21 Cc1cc(ccc1I)C(=O)N AS02260 [0,1,0,0,1,0|2,0,0]=4 288 B11R1.21 Cc1cc(ccc1I)C(=O)O AS02265 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.21 Cc1cc(ccc1N)C(=O)O AS01122 [0,1,0,0,1,0|2,0,0]=4 290 B11R1.21 Cc1cc(ccc1O)C(=O)C AS04503 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.21 Cc1cc(ccc1O)C(=O)O AS00899 [0,1,0,0,1,0|2,0,0]=4 292 B11R1.21 Cc1ccc(cc1Br)C(=O)C AS03823 [0,1,0,0,1,0|0,0,0]=2 293 B11R1.21 Cc1ccc(cc1Br)C(=O)N AS03422 [0,1,0,0,1,0|1,0,0]=3 294 B11R1.21 Cc1ccc(cc1Br)C(=O)O AS02482 [0,1,0,0,1,0|1,0,0]=3 295 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] AS03442 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.21 Cc1ccc(cc1C)C(=O)C AS03873 [0,1,0,0,1,0|0,0,0]=2 297 B11R1.21 Cc1ccc(cc1C)C(=O)O AS00741 [0,1,0,0,1,0|1,0,0]=3 298 B11R1.21 Cc1ccc(cc1C)C(C)N AS00809 [0,1,0,0,1,0|1,0,1]=4 299 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] AS07070 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.21 Cc1ccc(cc1Cl)C(=O)O AS00790 [0,1,0,0,1,0|1,0,0]=3 301 B11R1.21 Cc1ccc(cc1F)C(=O)C AS05187 [0,1,0,0,1,0|0,0,0]=2 302 B11R1.21 Cc1ccc(cc1F)C(=O)O AS02484 [0,1,0,0,1,0|1,0,0]=3 303 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] AS00243 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.21 Cc1ccc(cc1I)C(=O)C AS03923 [0,1,0,0,1,0|0,0,0]=2 305 B11R1.21 Cc1ccc(cc1I)C(=O)N AS02259 [0,1,0,0,1,0|1,0,0]=3 306 B11R1.21 Cc1ccc(cc1I)C(=O)O AS02264 [0,1,0,0,1,0|1,0,0]=3 307 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] AS02277 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.21 Cc1ccc(cc1N)C(C)C AS05395 [0,1,0,0,1,0|1,0,1]=4 309 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] AS06937 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.21 Cc1ccc(cc1O)C(=O)C AS05196 [0,1,0,0,1,0|0,0,0]=2 311 B11R1.21 Cc1ccc(cc1O)C(=O)O AS01294 [0,1,0,0,1,0|1,0,0]=3 312 B11R1.21 Cc1ccc(cc1O)C(C)C AS07190 [0,1,0,0,1,0|1,0,1]=4 313 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F AS00045 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F AS00038 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F AS00035 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl AS02860 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.21 c1cc(c(cc1C(=O)N)F)F AS00797 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br AS03516 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl AS00750 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AS00969 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.21 c1cc(c(cc1C(=O)O)Br)I AS03364 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.21 c1cc(c(cc1C(=O)O)Br)I AS04475 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.21 c1cc(c(cc1C(=O)O)Br)N AS00983 [0,1,0,0,1,0|2,0,0]=4 324 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl AS00789 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F AS00963 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N AS00982 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AS00972 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl AS02731 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.21 c1cc(c(cc1C(=O)O)F)F AS00851 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.21 c1cc(c(cc1C(=O)O)F)N AS00977 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.21 c1cc(c(cc1C(=O)O)F)O AS01857 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.21 c1cc(c(cc1C(=O)O)I)Br AS06467 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl AS06466 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.21 c1cc(c(cc1C(=O)O)I)F AS02183 [0,1,0,0,1,0|2,0,0]=4 335 B11R1.21 c1cc(c(cc1C(=O)O)I)F AS06468 [0,1,0,0,1,0|2,0,0]=4 336 B11R1.21 c1cc(c(cc1C(=O)O)I)I AS06469 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.21 c1cc(c(cc1C(=O)O)N)Br AS00868 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl AS00844 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.21 c1cc(c(cc1C(=O)O)N)F AS00976 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.21 c1cc(c(cc1C(=O)O)N)N AS04450 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.21 c1cc(c(cc1C(=O)O)N)O AS00843 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.21 c1cc(c(cc1C(=O)O)O)Br AS06643 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.21 c1cc(c(cc1C(=O)O)O)F AS01859 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.21 c1cc(c(cc1C(=O)O)O)N AS00858 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F AS00781 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.166 CC(=O)c1ccc(cc1Br)Br AS03852 [0,1,0,0,1,0|1,0,0]=3 347 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01149 [0,1,0,0,1,0|1,0,0]=3 348 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01174 [0,1,0,0,1,0|1,0,0]=3 349 B11R1.166 CC(=O)c1ccc(cc1Br)N AS05248 [0,1,0,0,1,0|1,0,0]=3 350 B11R1.166 CC(=O)c1ccc(cc1Br)O AS05117 [0,1,0,0,1,0|1,0,0]=3 351 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl AS03861 [0,1,0,0,1,0|1,0,0]=3 352 B11R1.166 CC(=O)c1ccc(cc1Cl)F AS04025 [0,1,0,0,1,0|1,0,0]=3 353 B11R1.166 CC(=O)c1ccc(cc1Cl)N AS05072 [0,1,0,0,1,0|1,0,0]=3 354 B11R1.166 CC(=O)c1ccc(cc1Cl)O AS05144 [0,1,0,0,1,0|1,0,0]=3 355 B11R1.166 CC(=O)c1ccc(cc1Cl)O AS05258 [0,1,0,0,1,0|1,0,0]=3 356 B11R1.166 CC(=O)c1ccc(cc1F)Br AS01131 [0,1,0,0,1,0|1,0,0]=3 357 B11R1.166 CC(=O)c1ccc(cc1F)Cl AS04005 [0,1,0,0,1,0|1,0,0]=3 358 B11R1.166 CC(=O)c1ccc(cc1F)F AS01190 [0,1,0,0,1,0|1,0,0]=3 359 B11R1.166 CC(=O)c1ccc(cc1F)O AS01200 [0,1,0,0,1,0|1,0,0]=3 360 B11R1.166 CC(=O)c1ccc(cc1N)F AS06564 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.166 CC(=O)c1ccc(cc1O)Cl AS05146 [0,1,0,0,1,0|1,0,0]=3 362 B11R1.166 CC(=O)c1ccc(cc1O)F AS01201 [0,1,0,0,1,0|1,0,0]=3 363 B11R1.166 CC(=O)c1ccc(cc1O)N AS05250 [0,1,0,0,1,0|1,0,0]=3 364 B11R1.166 CC(=O)c1ccc(cc1O)O AS01140 [0,1,0,0,1,0|1,0,0]=3 365 B11R1.166 Cc1cc(ccc1C(=O)C)Cl AS05148 [0,1,0,0,1,0|1,0,0]=3 366 B11R1.166 Cc1cc(ccc1C(=O)C)F AS01144 [0,1,0,0,1,0|1,0,0]=3 367 B11R1.166 Cc1cc(ccc1C(=O)C)F AS03900 [0,1,0,0,1,0|1,0,0]=3 368 B11R1.166 Cc1cc(ccc1C(=O)C)O AS04594 [0,1,0,0,1,0|1,0,0]=3 369 B11R1.166 Cc1cc(ccc1C(=O)O)Br AS01811 [0,1,0,0,1,0|2,0,0]=4 370 B11R1.166 Cc1cc(ccc1C(=O)O)Cl AS00772 [0,1,0,0,1,0|2,0,0]=4 371 B11R1.166 Cc1cc(ccc1C(=O)O)F AS01874 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.166 Cc1cc(ccc1C(=O)O)F AS04999 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O AS00875 [0,1,0,0,1,0|1,0,0]=3 374 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl AS00021 [0,1,0,0,1,0|1,0,0]=3 375 B11R1.166 Cc1ccc(c(c1)C)C(=O)O AS03894 [0,1,0,0,1,0|1,0,0]=3 376 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O AS00152 [0,1,0,0,1,0|1,0,0]=3 377 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] AS02916 [0,1,0,0,1,0|2,0,0]=4 378 B11R1.166 Cc1ccc(c(c1)F)C(=O)O AS00764 [0,1,0,0,1,0|1,0,0]=3 379 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] AS02078 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] AS02093 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [0,1,0,0,1,0|1,0,0]=3 382 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] AS02089 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.166 Cc1ccc(c(c1)O)C(=O)C AS05195 [0,1,0,0,1,0|0,0,0]=2 384 B11R1.166 c1cc(c(cc1Br)Br)C(=O)N AS05890 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AS03514 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS01793 [0,1,0,0,1,0|2,0,0]=4 387 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS03132 [0,1,0,0,1,0|2,0,0]=4 388 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl AS00047 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AS03290 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.166 c1cc(c(cc1Br)I)C(=O)O AS00147 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.166 c1cc(c(cc1Br)N)C(=O)O AS00990 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.166 c1cc(c(cc1Br)O)C(=O)N AS03343 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.166 c1cc(c(cc1Br)O)C(=O)O AS00769 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O AS03128 [0,1,0,0,1,0|2,0,0]=4 395 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O AS00780 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl AS00041 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O AS02730 [0,1,0,0,1,0|2,0,0]=4 398 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O AS03067 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N AS05883 [0,1,0,0,1,0|2,0,0]=4 400 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O AS00756 [0,1,0,0,1,0|2,0,0]=4 401 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O AS02762 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl AS00048 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AS00970 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl AS00039 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O AS00965 [0,1,0,0,1,0|2,0,0]=4 406 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl AS00033 [0,1,0,0,1,0|2,0,0]=4 407 B11R1.166 c1cc(c(cc1F)F)C(=O)N AS00796 [0,1,0,0,1,0|2,0,0]=4 408 B11R1.166 c1cc(c(cc1F)F)C(=O)O AS00811 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] AS00779 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.166 c1cc(c(cc1F)I)C(=O)O AS00944 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.166 c1cc(c(cc1F)N)C(=O)O AS00975 [0,1,0,0,1,0|2,0,0]=4 412 B11R1.166 c1cc(c(cc1F)O)C(=O)O AS01858 [0,1,0,0,1,0|2,0,0]=4 413 B11R1.166 c1cc(c(cc1I)Cl)C(=O)O AS03064 [0,1,0,0,1,0|2,0,0]=4 414 B11R1.166 c1cc(c(cc1I)F)C(=O)O AS01860 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.166 c1cc(c(cc1I)O)C(=O)O AS02196 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.166 c1cc(c(cc1N)F)C(=O)O AS01776 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.166 c1cc(c(cc1O)F)C(=O)O AS01854 [0,1,0,0,1,0|2,0,0]=4 418 B11R1.166 c1cc(c(cc1O)I)C(=O)O AS06293 [0,1,0,0,1,0|2,0,0]=4 419 B11R1.166 c1cc(c(cc1O)O)C(=O)O AS00962 [0,1,0,0,1,0|2,0,0]=4 420 B13R1.3 CCc1ccc(cc1)C=CC(=O)O AS01251 [0,1,0,0,0,1|2,0,0]=4 421 B13R1.3 COc1ccc(cc1)C=CC(=O)O AS01561 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.3 COc1ccc(cc1)CCC(=O)O AS04665 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl AS06038 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.14 COC(=O)CCc1ccc(cc1)O AS06130 [0,1,0,0,0,1|2,0,0]=4 425 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N AS06755 [0,1,0,0,0,1|2,0,0]=4 426 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AS06754 [0,1,0,0,0,1|2,0,0]=4 427 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O AS04609 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.5 COC(=O)Cc1ccc(cc1)CBr AS06817 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)OC AS07057 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.35 COc1ccc(cc1Br)CC(=O)O AS00515 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.35 COc1ccc(cc1F)CC(=O)O AS02174 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.35 COc1ccc(cc1O)CC(=O)O AS00514 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.36 CC(c1ccc(cc1)CBr)C(=O)O AS00527 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.142 CCCc1ccc(cc1)CC(=O)O AS02187 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] AS05245 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] AS00883 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.653 CC(=O)Oc1ccc(cc1Br)OC AS02338 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.653 CC(=O)Oc1ccc(cc1Br)OC AS04241 [0,2,0,0,0,0|0,0,0]=2 439 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C AS03247 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O AS06082 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)O AS06088 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.653 COc1ccc(c(c1)F)CC(=O)O AS01972 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.876 Cc1cc(c(cc1Br)C)NC(=O)C AS03223 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.876 Cc1cc(c(cc1C)Br)NC(=O)C AS03221 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.876 Cc1cc(c(cc1F)NC(=O)C)Br AS03321 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.2879 COC(=O)Cc1ccc(c(c1)Cl)O AS06087 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.3528 Cc1c(c(ccc1NC(=O)C)Br)C AS03222 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.3528 Cc1c(ccc(c1Cl)Br)NC(=O)C AS03163 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)F AS03669 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.3763 Cc1cc(cc(c1Br)C)NC(=O)C AS03224 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.21 COC(=O)[C@@H](c1ccc(cc1)F)N AS06760 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br AS01235 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.19 CCOC(=O)Cc1ccc(cc1)C AS06120 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.51 CC(=O)Oc1ccc(cc1OC)Cl AS02344 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.51 CCc1cc(ccc1NC(=O)C)Br AS03248 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)O)C AS00543 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.159 Cc1cccc(c1C)C(=O)C AS01169 [0,0,1,1,0,0|1,0,1]=4 458 B11R1.159 Cc1cccc(c1Cl)C(=O)C AS03847 [0,0,1,1,0,0|2,0,0]=4 459 B11R1.159 Cc1cccc(c1N)C(=O)C AS05090 [0,0,1,1,0,0|2,0,0]=4 460 B11R1.167 Cc1ccc(c(c1)C(=O)C)F AS01155 [0,0,1,1,0,0|2,0,0]=4 461 B11R2.36 Cc1ccc2c(c1)OCO2 AS01485 [1,0,0,1,0,0|0,0,2]=4 462 B11R2.36 Cc1ccc2c(c1)cco2 AS06433 [1,0,0,1,0,0|0,0,1]=3 463 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [1,0,0,1,0,0|1,1,0]=4 464 B11R2.36 c1cc2c(cc1Br)CCO2 AS06345 [1,0,0,1,0,0|1,0,1]=4 465 B11R2.36 c1cc2c(cc1I)CCO2 AS06344 [1,0,0,1,0,0|1,0,1]=4 466 B11R2.36 c1cc2c(cc1N)CCO2 AS06343 [1,0,0,1,0,0|1,0,1]=4 467 B11R2.36 c1cc2c(cco2)cc1Br AS06418 [1,0,0,1,0,0|1,0,1]=4 468 B11R2.36 c1cc2c(cco2)cc1Cl AS06428 [1,0,0,1,0,0|1,0,1]=4 469 B11R2.36 c1cc2c(cco2)cc1F AS06429 [1,0,0,1,0,0|1,0,1]=4 470 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AS06318 [0,0,0,1,0,1|2,0,0]=4 471 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AS06308 [0,0,0,1,0,1|2,0,0]=4 472 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AS06389 [0,0,0,1,0,1|2,0,0]=4 473 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC AS06058 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.13083 c1c2c(cc(c1Cl)Cl)NC(=O)C2 AS06051 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.13083 c1c2c(cc(c1F)Cl)NC(=O)C2 AS06048 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AS06276 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AS06337 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 AS06333 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [1,0,0,0,1,0|1,0,0]=3 480 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [1,0,0,0,1,0|1,0,0]=3 481 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [1,0,0,0,1,0|1,0,0]=3 482 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [1,0,0,0,1,0|2,0,0]=4 483 B11R1.91 CC(=O)COc1ccccc1 AS05273 [1,0,0,0,0,1|0,0,0]=2 484 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [1,0,0,0,0,1|0,0,0]=2 485 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [1,0,0,0,0,1|2,0,0]=4