0 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 C1=CC(=CC=C1CO)O S3857 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.1 CCC1=CC=C(C=C1)O S6308 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 COC1=CC=C(C=C1)O S4077 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [1,0,0,0,0,0|0,0,0]=1 30 B9R1.6 CC(=O)C1=NC=CN=C1 S6261 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 CC(C1=CC=CC=C1)N S6260 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.3 CC(C)C1=CC=C(C=C1)C=O S5089 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.3 CC(C)C1=CC=C(C=C1)CO S5090 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.3 COC1=NC=C(C=C1)C(=O)N S6779 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.19 C1=CC(=CC=C1N)S(=O)(=O)N S1685 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.19 C1=CC(=CC=C1N)S(=O)(=O)N S1685 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S6188 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O S6361 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)Br S5444 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O S3975 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O S3788 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O S6297 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O S1806 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O S3691 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S5211 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)[O-] S4073 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)[O-] S4073 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.166 C1=CC(=C(C=C1O)O)C(=O)O S6293 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O S4762 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)O S5173 [0,1,0,0,0,0|0,0,0]=1 61 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O S5519 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O S5157 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.35 CC1=CC(=NN1)C(=O)O S5434 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.35 CC1=CC(=NN1)C(=O)O S5434 [0,0,0,0,1,0|3,0,0]=4 65 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [0,0,0,0,0,1|2,0,0]=3 66 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|0,0,0]=2 67 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,2]=4 68 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,2]=4 69 B8R1.3 C1=CC(=CC=C1Cl)Cl S6300 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.3 C1=CC(=CC=C1O)O S4580 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.3 C1=CC(=CC=C1O)O S4580 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.3 CC1=CC=C(O)C=C1 S6017 [2,0,0,0,0,0|0,0,1]=3 73 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.3 COC1=CC=C(C=C1)C=O S5086 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.15 COC(=O)C1=CC=CC=N1 S6317 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.15 COC(=O)C1=CN=CC=C1 S6231 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O S6252 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N S4785 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)O S4995 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O S3802 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.31 C1=C(OC(=C1)C(=O)O)CO S6081 [0,1,0,0,1,0|2,0,0]=4 104 B12R1.4 COC1=CC=C(C=C1)CC(=O)O S6273 [0,1,0,0,0,1|1,0,0]=3 105 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O S5639 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr S3678 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.6 C1=CC(=CC=C1CN)S(=O)(=O)N S3647 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.6 C1=CC(=CC=C1CN)S(=O)(=O)N S3697 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O S3210 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)O S3210 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O S5162 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O S6251 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O S2339 [0,2,0,0,0,0|0,0,0]=2 114 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O S2339 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O S5160 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl S6403 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC S2425 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC S2425 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O S5343 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C S4761 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)O S3869 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O S6018 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)O S4603 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)O S4603 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4210 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N S4669 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O S4525 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O S4784 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)C)O S6235 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.1000 CC1=CC(=O)C(C(=O)O1)C(=O)C S4522 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.1000 CC1=CC(=O)C(C(=O)O1)C(=O)C S4522 [0,2,0,0,0,0|1,0,1]=4 134 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)O2 S4155 [0,0,0,1,0,1|2,0,0]=4 135 B12R2.606 C1=CC2=C(C=C1O)OC(=O)S2 S2603 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.606 C1=CC2=C(C=C1O)OC(=O)S2 S2603 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.1 CC1=CC=C(O1)C=O S9381 [1,0,0,0,1,0|1,0,0]=3 140 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [1,0,0,0,1,0|2,0,0]=4 141 B8R1.7 C1=COC(=C1)C(=O)O S4864 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.7 C1=COC=C1C(=O)O S6097 [1,0,0,0,1,0|2,0,0]=4 143 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S4759 [0,0,0,0,0,2|2,0,0]=4 144 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S9564 [0,0,0,0,0,2|2,0,0]=4 145 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O S3795 [0,0,0,0,0,2|2,0,0]=4 146 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [0,0,0,0,0,2|1,0,0]=3