0 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.13 B(C1=CN=C(C=C1)F)(O)O 5214 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 C1=CC(=NC=C1Cl)[N+](=O)[O-] 8664 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Br 5468 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Cl 5205 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])F 8260 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])N 8018 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,0,0,0,0,0|1,0,1]=2 41 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [1,0,0,0,0,0|0,0,0]=1 50 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 C1=CC(=CC=C1CN)F 5139 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 C1=CC(=CC=C1CN)O 8602 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [1,0,0,0,0,0|1,1,1]=4 56 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 C1=CC(=CC=C1NN)F 5594 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.1 CC1=CC=C(C=C1)CN 9612 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.1 COC1=CC=C(C=C1)Br 6813 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 COC1=CC=C(C=C1)F 5383 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 COC1=CC=C(C=C1)N 8631 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 COC1=CC=C(C=C1)S 8726 [1,0,0,0,0,0|2,1,0]=4 70 B9R1.1 CSC1=CC=C(C=C1)F 9086 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 B(C1=CN=CC=C1)(O)O 5559 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,0,0,0,0|0,0,0]=1 73 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,0,0,0,0|1,1,0]=3 74 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [1,0,0,0,0,0|2,1,0]=4 77 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [1,0,0,0,0,0|2,1,0]=4 79 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.6 c1ccnc(c1)C(=O)O P2885 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.6 c1cncnc1C(=O)O P8990 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O 10516 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O 8393 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.3 B(C1=CC=C(C=C1)CC)(O)O 5017 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.3 B(C1=CC=C(C=C1)CO)(O)O 6503 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O 9492 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O 6457 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.3 C1=CC(=CC=C1C#N)[N+](=O)[O-] 10545 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O 6784 [0,1,0,0,0,0|0,0,1]=2 93 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.3 C1=CC(=CC=C1NN)[N+](=O)[O-] 5239 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N 6778 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] N0089 [0,1,0,0,0,0|1,0,2]=4 99 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)N 5136 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.19 C1=CC(=CC=C1F)S(=O)(=O)N 6297 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.19 C1=CC(=CC=C1N)S(=O)(=O)O 6804 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.19 C1=CC(=CC=C1S(=O)(=O)Cl)Cl 10200 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl 6805 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O 9567 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C 9927 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 5499 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 8893 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br 6161 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N 8975 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O 5187 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O 9368 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.21 B(C1=CC(=C(C=C1)F)F)(O)O 10317 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F 6379 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)F 6189 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.21 C1=CC(=C(C=C1C(=O)N)F)F 6205 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)Cl 6852 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)Br 10653 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F 5565 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N 10388 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Cl 6223 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)F 10520 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N 8422 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)O 9542 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)Cl 10576 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)Cl 8056 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F 8984 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O 10466 [0,1,0,0,0,0|0,0,0]=1 128 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O 8891 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)F 5301 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Br)O 10420 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)F 6084 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)I 8309 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)N 6789 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)Cl 9188 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)F 10057 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)N 8806 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])F)O 8571 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Br 8673 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])N)Cl 6759 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])O)N 5708 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br 6438 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F 5378 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F 6468 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F 8214 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F 5569 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C 10163 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F 8586 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl 6856 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 5127 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 8978 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I 6495 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Br 5341 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])F 5574 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I 5610 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N 9544 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F 6280 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br 6529 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl 10036 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)I 8691 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N 5197 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])F 5497 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.22 COC(=O)C1=CN=C(C=C1)N 5257 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.22 COC(=O)C1=CN=C(C=C1)N 9348 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.166 B(C1=C(C=C(C=C1)Cl)Cl)(O)O 9953 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 5014 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 9885 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.166 C1=C(C(=O)NC(=O)N1)C(=O)O 8630 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 10103 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 6702 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.166 C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] 6808 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.166 C1=CC(=C(C=C1Cl)F)[N+](=O)[O-] 9293 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] 6627 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.166 C1=CC(=C(C=C1F)F)[N+](=O)[O-] 6031 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5234 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5557 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.166 C1=CC(=C(C=C1N)Br)[N+](=O)[O-] 10139 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)[O-] 6630 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.166 C1=CC(=C(C=C1N)F)[N+](=O)[O-] 10543 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.166 C1=CC(=C(C=C1N)N)[N+](=O)[O-] 10248 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,1,0,0,0,0|0,0,0]=1 209 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,1,0,0,0,0|0,0,0]=1 210 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.166 CC1=C(C=CC(=C1)F)[N+](=O)[O-] 6095 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,1,0,0,0,0|0,0,0]=1 217 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0147 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0336 [0,1,0,0,0,0|2,0,1]=4 223 B9R1.35 C1=C(OC(=C1)Br)C(=O)O 6446 [0,0,0,0,1,0|2,0,0]=3 224 B9R1.35 C1=C(SC(=C1)Br)C(=O)O 6855 [0,0,0,0,1,0|2,0,0]=3 225 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl 10677 [0,0,0,0,1,0|3,0,0]=4 226 B9R1.35 C1=C(SC(=N1)Br)C(=O)O 5706 [0,0,0,0,1,0|3,0,0]=4 227 B9R1.35 C1=C(SC=C1Br)C(=O)O 5005 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.35 CC(=O)C1=CC=C(S1)Br 9665 [0,0,0,0,1,0|3,0,0]=4 229 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,0,0,0,1,0|3,0,0]=4 230 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [0,0,0,0,1,0|2,0,0]=3 231 B9R1.35 CN1C=C(C=N1)C(=O)O 5080 [0,0,0,0,1,0|3,0,0]=4 232 B9R1.35 CN1C=C(N=C1)C(=O)O 8619 [0,0,0,0,1,0|3,0,0]=4 233 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [0,0,0,0,0,1|1,0,0]=2 234 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [0,0,0,0,0,1|1,0,0]=2 235 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [0,0,0,0,0,1|1,0,0]=2 236 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [0,0,0,0,0,1|1,0,0]=2 237 B11R1.20 C1=CC(=CC=C1NC(=S)N)F 8121 [0,0,0,0,0,1|2,1,0]=4 238 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl 5593 [0,0,0,0,0,1|2,0,0]=3 239 B11R1.20 CC(=O)NC1=NC=C(C=C1)N 6514 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [0,0,0,0,0,1|1,0,0]=2 241 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|1,0,1]=4 242 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,0]=3 244 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 245 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.3 C1=CC(=CC=C1F)Br 6014 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.3 C1=CC(=CC=C1F)Cl 9763 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.3 C1=CC(=CC=C1F)F 10591 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.3 C1=CC(=CC=C1N)Cl 6700 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.3 C1=CC(=CC=C1N)F 5032 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.3 C1=CC(=CC=C1N)I 8418 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.3 C1=CC(=NC=C1O)Br 10436 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.3 C1=CC(=NC=C1O)Cl 9958 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.3 C1=CC(=O)NC=C1Br 8266 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.3 C1=CC(=O)NC=C1F 8617 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.3 CC1=CNC(=O)C=C1 9951 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.3 c1cc(ccc1F)Br B0238 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.3 c1cc(ccc1N)F F0045 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,1,0,0,0,0|0,0,1]=3 262 B10R1.3 C1=CC(=CC=C1C=O)C#N 5691 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.3 C1=CC(=CC=C1C=O)C#N 5751 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.3 COC1=CC=C(C=C1)C#C 9950 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.3 COC1=CC=C(C=C1)C=O 8125 [1,1,0,0,0,0|0,0,0]=2 266 B10R1.3 COC1=CC=C(C=C1)CN 8511 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.3 COC1=NC=C(C=C1)C=O 5473 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.3 c1cc(ccc1C=O)C#N F0081 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.25 C1=CC(=C(C=C1O)F)C#N 5126 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Cl 10651 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.176 C1=CC(=C(C=C1C=O)Br)F 5548 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br 9404 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F 8322 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.176 C1=CC(=C(C=C1C=O)F)Br 9383 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.176 C1=CC(=C(C=C1C=O)F)F 5614 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.176 C1=CC(=C(C=C1C=O)F)O 9932 [1,1,0,0,0,0|0,0,0]=2 284 B10R1.176 C1=CC(=C(C=C1C=O)O)O 6767 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.176 C1=CC(=C(C=C1CO)Br)O 9541 [1,1,0,0,0,0|0,0,1]=3 286 B10R1.176 C1=CC(=C(C=C1CO)Cl)F 5350 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.176 C1=CC(=C(C=C1CO)F)Cl 6586 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.176 C1=CC(=C(C=C1CO)F)F 5618 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6278 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6279 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.176 CC1=C(C=C(C=C1)CO)F 8904 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.176 COC1=CC(=C(C=C1)O)Br 8831 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.15 C1=CC(=CN=C1)C(=NO)N 9520 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.28 c1cc(cnc1)S(=O)(=O)O P0398 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [1,1,0,0,0,0|1,1,0]=4 319 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.61 CC(c1ccccc1N)O A1015 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O 10119 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.113 B(C1=CC(=CC=C1)F)(O)O 5003 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.113 C1=C(C=C(C=C1)I)[N+](=O)[O-] 10012 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [1,1,0,0,0,0|0,0,0]=2 341 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl 8784 [0,1,0,0,0,1|2,0,0]=4 360 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO 9568 [0,1,0,0,0,1|1,0,0]=3 361 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O 5133 [0,1,0,0,0,1|1,0,1]=4 362 B12R1.4 COC1=CC=C(C=C1)CC(=O)O 6794 [0,1,0,0,0,1|0,0,0]=2 363 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)F 8137 [0,1,0,0,0,1|1,0,0]=3 364 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl 6024 [0,1,0,0,0,1|1,0,0]=3 365 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Br 10654 [0,1,0,0,0,1|1,0,0]=3 366 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Cl 9590 [0,1,0,0,0,1|1,0,0]=3 367 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F 5630 [0,1,0,0,0,1|1,0,0]=3 368 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)F 9243 [0,1,0,0,0,1|1,0,0]=3 369 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl 10104 [0,1,0,0,0,1|1,0,0]=3 370 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br 5459 [0,1,0,0,0,1|1,0,0]=3 371 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F 5356 [0,1,0,0,0,1|1,0,0]=3 372 B12R1.20 CC(C1=CC=C(C=C1)F)C(=O)[O-] 10098 [0,1,0,0,0,1|1,0,1]=4 373 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,1,0,0,0,1|2,0,0]=4 374 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,1,0,0,0,1|1,0,0]=3 375 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [0,1,0,0,0,1|1,0,0]=3 376 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O 5453 [0,1,0,0,0,1|1,0,0]=3 377 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O 6068 [0,1,0,0,0,1|1,0,0]=3 378 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr 9861 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.48 B(C1=CC(=C(C=C1)OC)F)(O)O 6575 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Br 10169 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl 9943 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.48 CC1=C(C=CC(=C1)C(=O)O)OC 10325 [0,2,0,0,0,0|0,0,0]=2 383 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N 9410 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])Br 6052 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])F 10199 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])I 5285 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.48 COC1=C(C=C(C=C1)[N+](=O)[O-])O 6829 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.113 B(C1=CC=C(C=C1)OCC)(O)O 8548 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.113 CCOC1=CC=C(C=C1)C(=O)Cl 8331 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.256 B(C1=CC=C(C=C1)B(O)O)(O)O 5195 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O 8606 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.256 B(C1=CC=C(C=C1)C(=O)N)(O)O 10092 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.256 B(C1=CC=C(C=C1)C(=O)O)(O)O 5632 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.256 B(C1=CC=C(C=C1)C(=O)O)(O)O 6449 [0,2,0,0,0,0|0,0,0]=2 395 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C 10544 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C 10220 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O 9876 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.256 c1cc(ccc1C(F)F)C(=O)O D1292 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F 9952 [0,2,0,0,0,0|0,0,0]=2 400 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N 8810 [0,2,0,0,0,0|0,0,0]=2 401 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC 5973 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F 9887 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O 8894 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.232 C1=C(C(=CC(=C1F)Br)Cl)C(=O)O 9000 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl 8566 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O 6044 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl 5365 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl 8344 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N 5055 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 5056 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 6045 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)Cl)F 9430 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F 5454 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F 6066 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.232 CC1=C(C=C(C(=C1)C(=O)C)F)Cl 10345 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O D1689 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F 5961 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O 8802 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F 6217 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)N 9360 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F 6408 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)N 6770 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)F 5696 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)N 8012 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N 9546 [0,2,0,0,0,0|0,0,0]=2 426 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F 6437 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)F)F 8925 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F 9268 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 5142 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 6058 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)F)F 6274 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.1005 C1=C(C=C(C(=C1F)F)F)C(=O)N 6350 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.1005 C1=C(C=C(C(=C1F)F)F)C(=O)O 5366 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.1005 C1=C(C=C(C(=C1F)F)F)C(=O)O 6080 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)N)Cl 10641 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)F)F)F 6390 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N 10375 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br 10165 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F 5606 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.16 CCOC(=O)C1=CC=C(C=C1)I 5062 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N 10608 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl 10437 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl 9613 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN 9582 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC 10692 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl 5266 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl 5134 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O 8269 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.1703 COC(=O)C1=CN=C(C=C1Cl)Cl 9009 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.57 C1=CC(=C(C=C1O)C=O)[N+](=O)[O-] 10518 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC 9275 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.57 CC1=CC(=C(C=C1)C(=O)O)OC 5304 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)Cl)F)F 8734 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)N)F)F 8183 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.1000 CC(=O)C1=C(C=C(C=C1F)F)F 9240 [0,2,0,0,0,0|2,0,0]=4 456 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [0,0,0,1,0,1|2,0,0]=4 457 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,0,0,1,0,1|2,0,0]=4 458 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,1,0,0|2,0,0]=4 460 B12R2.612 c1cc2c(cc1N)COC2=O A0079 [0,1,0,1,0,0|1,0,0]=3 461 B8R0.23 C=C(CC(=O)O)C(=O)O 5233 [0,0,1,0,1,0|1,0,1]=4 462 B8R1.1 C1=C(SC=C1Br)C=O 8987 [1,0,0,0,1,0|2,0,0]=4 463 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [1,0,0,0,1,0|2,0,0]=4 464 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [1,0,0,0,1,0|2,0,0]=4 465 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [1,0,0,0,1,0|2,0,0]=4 466 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [1,0,0,0,1,0|2,0,0]=4 467 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [1,0,0,0,1,0|1,0,0]=3 468 B8R1.7 C1=CON=C1C(=O)O I8529 [1,0,0,0,1,0|2,0,0]=4 469 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [1,0,0,0,1,0|1,0,0]=3 470 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [1,0,0,0,1,0|1,0,1]=4 471 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [1,0,0,0,1,0|2,0,0]=4 472 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,0,0,0,1,0|2,0,0]=4 473 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,0,0,0,1,0|2,0,0]=4 474 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [1,0,0,0,0,1|1,0,0]=3 475 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,0,0,0,0,1|1,0,0]=3 476 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,0,0,0,0,1|1,0,0]=3 477 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl 6857 [0,0,0,0,0,2|1,0,0]=3 478 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N 6107 [0,0,0,0,0,2|1,0,0]=3 479 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O 10629 [0,0,0,0,0,2|0,0,0]=2 480 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O 5493 [0,0,0,0,0,2|0,0,0]=2 481 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F 6309 [0,0,0,0,0,2|1,0,0]=3 482 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)Br 9777 [0,0,0,0,0,2|1,0,0]=3 483 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)F 5282 [0,0,0,0,0,2|1,0,0]=3 484 B12R1.21 C1=CC(=CC=C1\C=C\C(=O)O)O 10491 [0,0,0,0,0,2|0,0,0]=2 485 B12R1.21 C1=CC(=CC=C1\C=C\[N+](=O)[O-])O 10331 [0,0,0,0,0,2|1,0,1]=4 486 B12R1.21 c1cc(ccc1CCC(=O)O)Br B1115 [0,0,0,0,0,2|1,0,0]=3