0 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.20 C1=CC(=CC=C1N)OC(F)F 5637 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.20 C1=CC(=CC=C1NC(=S)N)F 8121 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.20 C1=CC(=CC=C1OC(F)F)Br 5636 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.20 C1=CC(=CC=C1OC(F)F)Cl 6686 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.20 C1=CC(=CC=C1OC(F)F)I 6213 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl 5593 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.20 CC(=O)NC1=NC=C(C=C1)N 6514 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.4 C1=CC(=CC=C1CN)OC(F)F 9646 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl 8784 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO 9568 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O 5133 [0,1,0,0,0,0|0,0,1]=2 23 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O 10413 [0,1,0,0,0,0|1,0,2]=4 24 B12R1.4 COC1=CC=C(C=C1)CC(=O)O 6794 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)F 8137 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl 6024 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Br 10654 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Cl 9590 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F 5630 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)F 9243 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl 10104 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br 5459 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F 5356 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.20 CC(C1=CC=C(C=C1)F)C(=O)[O-] 10098 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)O 8442 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.106 CC1=CC=C(C=C1)OC(F)(F)F 9488 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O 5453 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O 6068 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,0,0,1,0,0|2,0,0]=3 44 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,0,0,0,1,0|2,0,1]=4 46 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,0,0,0,1,0|2,0,1]=4 47 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,0,0,0,1,0|2,0,0]=3 49 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,0,0,0,1,0|2,0,0]=3 50 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,0,0,0,1,0|2,0,0]=3 51 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,0,0,0,1,0|2,0,0]=3 52 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,0,0,0,1,0|2,1,0]=4 53 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,0,0,0,1,0|3,0,0]=4 55 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,0,0,0,1,0|3,0,0]=4 56 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,0,0,0,1,0|3,0,0]=4 57 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,0,0,0,1,0|3,0,0]=4 58 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,0,0,0,1,0|3,0,0]=4 59 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,0,0,0,1,0|3,0,0]=4 60 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,0,0,0,1,0|3,0,0]=4 61 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,0,0,0,1,0|3,0,0]=4 62 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,0,0,0,1,0|3,0,0]=4 63 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,0,0,0,1,0|1,0,0]=2 64 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,0,0,0,1,0|1,0,0]=2 65 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,0,0,0,1,0|2,0,0]=3 66 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,0,0,0,1,0|1,0,2]=4 67 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,0,0,0,1,0|1,0,0]=2 68 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,0,0,0,1,0|3,0,0]=4 69 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,0,0,0,1,0|3,0,0]=4 70 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,0,0,0,1,0|2,0,0]=3 71 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,0,0,0,1,0|2,0,0]=3 72 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,0,0,0,1,0|3,0,0]=4 73 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl 6857 [0,0,0,0,0,1|3,0,0]=4 74 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N 6107 [0,0,0,0,0,1|3,0,0]=4 75 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O 10629 [0,0,0,0,0,1|3,0,0]=4 76 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O 5493 [0,0,0,0,0,1|3,0,0]=4 77 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F 6309 [0,0,0,0,0,1|2,0,0]=3 78 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [0,0,0,0,0,1|3,0,0]=4 79 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [0,0,0,0,0,1|3,0,0]=4 80 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [0,0,0,0,0,1|3,0,0]=4 81 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N 9990 [0,0,0,0,0,1|2,1,0]=4 82 B12R1.21 c1cc(ccc1CCC(=O)O)Br B1115 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [2,0,0,0,0,0|1,0,1]=4 89 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [2,0,0,0,0,0|1,0,1]=4 90 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [2,0,0,0,0,0|1,0,1]=4 91 B9R1.1 CC1=CC=C(C=C1)CN 9612 [2,0,0,0,0,0|1,0,1]=4 92 B9R1.1 COC1=CC=C(C=C1)Br 6813 [2,0,0,0,0,0|1,0,0]=3 93 B9R1.1 COC1=CC=C(C=C1)F 5383 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.1 COC1=CC=C(C=C1)N 8631 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.1 COC1=CC=C(C=C1)S 8726 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.1 COC1=NC=C(C=C1)Br 9358 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 COC1=NC=C(C=C1)Br 9555 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 COC1=NC=C(C=C1)N 9999 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 CSC1=CC=C(C=C1)F 9086 [2,0,0,0,0,0|1,1,0]=4 101 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.83 CCOC1=CC=C(C=C1)C=O 9437 [1,1,0,0,0,0|0,0,2]=4 103 B11R1.83 C\C=C\C1=CC=C(C=C1)OC 5527 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O 6004 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O 10404 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O 8680 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O 10176 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O 6784 [0,1,0,0,1,0|1,0,1]=4 116 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [0,1,0,0,1,0|1,0,0]=3 117 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N 6778 [0,1,0,0,1,0|0,0,1]=3 118 B11R1.3 CN(C)C1=CC=C(C=C1)CN 9794 [0,1,0,0,1,0|2,0,0]=4 119 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [0,1,0,0,1,0|1,0,0]=3 120 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [0,1,0,0,1,0|2,0,0]=4 121 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C 9927 [0,1,0,0,1,0|1,0,0]=3 122 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 5499 [0,1,0,0,1,0|2,0,0]=4 123 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 8893 [0,1,0,0,1,0|2,0,0]=4 124 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br 6161 [0,1,0,0,1,0|2,0,0]=4 125 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N 8975 [0,1,0,0,1,0|2,0,0]=4 126 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O 5187 [0,1,0,0,1,0|2,0,0]=4 127 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F 6379 [0,1,0,0,1,0|2,0,0]=4 128 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)F 6189 [0,1,0,0,1,0|2,0,0]=4 129 B11R1.21 C1=CC(=C(C=C1C(=O)N)F)F 6205 [0,1,0,0,1,0|2,0,0]=4 130 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)Cl 6852 [0,1,0,0,1,0|2,0,0]=4 131 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)Br 10653 [0,1,0,0,1,0|2,0,0]=4 132 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F 5565 [0,1,0,0,1,0|2,0,0]=4 133 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N 10388 [0,1,0,0,1,0|2,0,0]=4 134 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Cl 6223 [0,1,0,0,1,0|2,0,0]=4 135 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)F 10520 [0,1,0,0,1,0|2,0,0]=4 136 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N 8422 [0,1,0,0,1,0|2,0,0]=4 137 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)O 9542 [0,1,0,0,1,0|2,0,0]=4 138 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)Cl 10576 [0,1,0,0,1,0|2,0,0]=4 139 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)Cl 8056 [0,1,0,0,1,0|2,0,0]=4 140 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F 8984 [0,1,0,0,1,0|2,0,0]=4 141 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O 10466 [0,1,0,0,1,0|2,0,0]=4 142 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O 8891 [0,1,0,0,1,0|2,0,0]=4 143 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br 6438 [0,1,0,0,1,0|1,0,0]=3 144 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F 5378 [0,1,0,0,1,0|1,0,0]=3 145 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F 6468 [0,1,0,0,1,0|1,0,0]=3 146 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F 8214 [0,1,0,0,1,0|0,0,0]=2 147 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F 5569 [0,1,0,0,1,0|1,0,0]=3 148 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C 10163 [0,1,0,0,1,0|1,0,0]=3 149 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F 8586 [0,1,0,0,1,0|1,0,0]=3 150 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl 6856 [0,1,0,0,1,0|1,0,0]=3 151 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 5127 [0,1,0,0,1,0|1,0,0]=3 152 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 8978 [0,1,0,0,1,0|1,0,0]=3 153 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I 6495 [0,1,0,0,1,0|1,0,0]=3 154 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Br 5341 [0,1,0,0,1,0|2,0,0]=4 155 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])F 5574 [0,1,0,0,1,0|2,0,0]=4 156 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I 5610 [0,1,0,0,1,0|2,0,0]=4 157 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N 9544 [0,1,0,0,1,0|2,0,0]=4 158 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F 6280 [0,1,0,0,1,0|2,0,0]=4 159 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br 6529 [0,1,0,0,1,0|2,0,0]=4 160 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl 10036 [0,1,0,0,1,0|2,0,0]=4 161 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I 8691 [0,1,0,0,1,0|2,0,0]=4 162 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N 5197 [0,1,0,0,1,0|2,0,0]=4 163 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,1,0,0,1,0|2,0,0]=4 164 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,1,0,0,1,0|2,0,0]=4 165 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,1,0,0,1,0|2,0,0]=4 166 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,1,0,0,1,0|2,0,0]=4 167 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,1,0,0,1,0|2,0,0]=4 168 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,1,0,0,1,0|2,0,0]=4 169 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,1,0,0,1,0|2,0,0]=4 170 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,1,0,0,1,0|2,0,0]=4 171 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,1,0,0,1,0|2,0,0]=4 172 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [0,1,0,0,1,0|2,0,0]=4 173 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,1,0,0,1,0|2,0,0]=4 174 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [0,1,0,0,1,0|2,0,0]=4 175 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [0,1,0,0,1,0|2,0,0]=4 176 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,1,0,0,1,0|2,0,0]=4 177 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)[O-] 6630 [0,1,0,0,1,0|2,0,0]=4 178 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,1,0,0,1,0|2,0,0]=4 179 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,1,0,0,1,0|2,0,0]=4 180 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,1,0,0,1,0|2,0,0]=4 181 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,1,0,0,1,0|1,0,0]=3 182 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,1,0,0,1,0|1,0,0]=3 183 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,1,0,0,1,0|2,0,0]=4 184 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,1,0,0,1,0|2,0,0]=4 185 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,1,0,0,1,0|2,0,0]=4 186 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,1,0,0,1,0|1,0,0]=3 187 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,1,0,0,1,0|1,0,0]=3 188 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,1,0,0,1,0|2,0,0]=4 189 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O 9020 [0,1,0,0,0,1|2,0,0]=4 190 B13R1.35 CC1=C(C=CC(=C1)CC(=O)O)OC 5330 [0,2,0,0,0,0|2,0,0]=4 191 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)Br 6853 [0,2,0,0,0,0|2,0,0]=4 192 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)F 6581 [0,2,0,0,0,0|2,0,0]=4 193 B13R1.35 COC1=C(C=C(C=C1)CC(=O)O)O 8307 [0,2,0,0,0,0|2,0,0]=4 194 B13R1.142 CC(=O)NC1=CC=C(C=C1)CC#N 9848 [0,2,0,0,0,0|1,0,0]=3 195 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N 8096 [0,2,0,0,0,0|2,0,0]=4 196 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl 8014 [0,2,0,0,0,0|2,0,0]=4 197 B13R1.2808 CC1=CC(=C(C(=C1)C)CC(=O)O)C 10479 [0,2,0,0,0,0|2,0,0]=4 198 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [1,0,0,1,0,0|2,0,0]=4 199 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [1,0,0,1,0,0|2,0,0]=4 200 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [1,0,0,1,0,0|2,0,0]=4 201 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [1,0,0,1,0,0|1,0,0]=3 202 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [1,0,0,1,0,0|1,1,0]=4 203 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [1,0,0,1,0,0|1,0,0]=3 204 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [1,0,0,1,0,0|1,0,0]=3 205 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [1,0,0,1,0,0|1,0,0]=3 206 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [1,0,0,1,0,0|2,0,0]=4 207 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 M0149 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,0,0,1,0|1,0,0]=3 209 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,0,0,1,0|1,1,0]=4 210 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,0,0,0,1,0|2,0,0]=4 211 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,0,0,0,1,0|2,0,0]=4 212 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,0,0,0,1,0|2,0,0]=4 213 B9R1.6 c1ccnc(c1)C(=O)O P2885 [1,0,0,0,1,0|2,0,0]=4 214 B9R1.35 CC(=O)C1=CC=C(S1)Br 9665 [0,0,0,0,2,0|2,0,0]=4 215 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,0,0,0,2,0|1,0,0]=3 216 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [0,0,0,0,2,0|2,0,0]=4 217 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [1,0,0,0,0,1|1,0,0]=3 218 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [1,0,0,0,0,1|2,0,0]=4