0 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 C1=CC(=C(N=C1)Cl)[N+](=O)[O-] 5452 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] 6721 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O 10088 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.61 C1=CN=CC(=C1Cl)[N+](=O)[O-] 8264 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.61 C1=CNC(=O)C(=C1)[N+](=O)[O-] 9986 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,0,0,0,0,0|1,0,1]=2 35 B10R1.61 CC(c1ccccc1N)O A1015 [0,0,0,0,0,0|0,0,2]=2 36 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,0,0,0,0|1,1,0]=3 40 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [1,0,0,0,0,0|2,1,0]=4 43 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [1,0,0,0,0,0|2,1,0]=4 45 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.6 CN(C)C1=CC=NC=C1 5603 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 CN(C)c1ccncc1 D0718 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 c1ccnc(c1)C(=O)O P2885 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 c1cncnc1C(=O)O P8990 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 CC1=CC=CC=C1CO 6723 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.15 CCC1=CC=CC=C1I 6010 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.15 CCC1=CC=CC=C1S 5060 [1,0,0,0,0,0|1,0,1]=3 74 B9R1.15 COC1=C(C=CC=N1)N 6512 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 COC1=CC=CC=C1Br 6133 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 COC1=CC=CC=C1F 6115 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 COC1=CC=CC=C1I 9182 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.15 COC1=CC=CC=C1N 6674 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.15 COc1ccccc1Br B0022 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 CSC1=CC=CC=C1Br 5058 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 CSC1=CC=CC=C1Cl 6157 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.15 CSC1=CC=CC=C1N 8226 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.15 CSC1=CC=CC=C1O 8029 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.53 CC(C1=CC=CC=C1OC)O 9994 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.53 CSC1=CC=CC=C1C(=O)O 9495 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)Cl 8190 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl 5028 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)N)Cl 8406 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)Cl 6567 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)F 6241 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.156 C1=CC(=C(C(=C1)Br)[N+](=O)[O-])F 10127 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)Cl 5394 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F 5099 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F 5353 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F 6208 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F 5615 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N 5439 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)N 5048 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O 6300 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])O 9968 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.156 C1=CN=C(C(=C1Cl)C(=O)O)Cl 10555 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.156 CC(=O)C1=C(C=CC=C1Cl)F 5981 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.156 CC(=O)C1=C(C=CC=C1F)F 5605 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.156 CC(=O)C1=C(C=CC=C1O)O 6860 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N 6850 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)O 9895 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.156 CC1=C(C(=CC=C1)N)C(=O)O 10650 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.156 CC1=C(C(=NC=C1)N)[N+](=O)[O-] 10662 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)C(=O)O 8609 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.159 C1=CC(=C(C(=C1)Br)F)C(=O)O 6242 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.159 C1=CC(=C(C(=C1)Br)F)[N+](=O)[O-] 6757 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.159 C1=CC(=C(C(=C1)Br)[O-])[N+](=O)[O-] 10684 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)O 8360 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O 8329 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.159 C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-] 5260 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.159 C1=CC(=C(C(=C1)F)Br)[N+](=O)[O-] 9212 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O 5124 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O 10136 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.159 C1=CC(=C(C(=C1)F)O)[N+](=O)[O-] 6434 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O 10409 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.159 C1=CC(=C(C(=C1)O)N)[N+](=O)[O-] 8977 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.159 C1=CN=C(C(=C1C(=O)O)F)Cl 6481 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.159 CC(=O)C1=C(C(=CC=C1)F)F 9780 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O 6667 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.159 CC1=C(C(=CC=C1)[N+](=O)[O-])N 8996 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O 8705 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] 8133 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.159 CC1=C(C=CC=C1Cl)C(=O)O 5119 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.159 CC1=C(C=CC=C1F)C(=O)[O-] 5368 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.159 CC1=C(C=CC=C1F)[N+](=O)[O-] 9509 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.159 CC1=C(C=CC=C1O)C(=O)O 10009 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.159 CC1=CC=CC(=C1Br)C(=O)O 5552 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O 9214 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.159 CC1=CC=CC(=C1I)C(=O)O 6863 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.159 CC1=CC=CC(=C1N)C(=O)O 6598 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 10103 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 6702 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.166 C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] 6808 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.166 C1=CC(=C(C=C1Cl)F)[N+](=O)[O-] 9293 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] 6627 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.166 C1=CC(=C(C=C1F)F)[N+](=O)[O-] 6031 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5234 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5557 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.166 C1=CC(=C(C=C1N)Br)[N+](=O)[O-] 10139 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)[O-] 6630 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.166 C1=CC(=C(C=C1N)F)[N+](=O)[O-] 10543 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.166 C1=CC(=C(C=C1N)N)[N+](=O)[O-] 10248 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.166 CC1=C(C=CC(=C1)F)[N+](=O)[O-] 6095 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0147 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0336 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.167 C1=C(C(=NC=C1Br)Cl)C(=O)[O-] 5249 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.167 C1=C(C(=NC=C1Br)N)[N+](=O)[O-] 5642 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.167 C1=C(C(=NC=C1F)Cl)C(=O)O 9339 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O 8259 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br 6768 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)Cl 5334 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)I 8491 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 5476 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 6519 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)O 8508 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])Cl 9831 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])F 5047 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])N 5340 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F 6251 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)F 9892 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 10376 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br 5046 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5072 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F 5344 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F 8599 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F 9801 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F 5161 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br 8351 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)F 6069 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)N 6138 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])I 6303 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N 8712 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])O 6104 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Br 5274 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)I 9722 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F 9459 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F 10160 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F 6051 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.167 C1=CC(=C(C=C1O)C(=O)O)N 8634 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])Cl 9418 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F 10631 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)Cl 8109 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)Cl 9377 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F 5604 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O 10507 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O 9714 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.167 CC1=C(C=C(C=C1)Cl)C(=O)O 9462 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl 6306 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6092 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6093 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] 6224 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.167 CC1=C(C=C(C=C1)N)[N+](=O)[O-] 8408 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.167 CC1=C(C=C(C=C1)O)C(=O)O 9407 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.167 CC1=CC(=C(C=C1)Br)[N+](=O)[O-] 6053 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O 8528 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O 5026 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.167 CC1=CC(=C(C=C1)F)[N+](=O)[O-] 6144 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 5607 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 6864 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.167 CC1=CC(=C(C=C1)I)[N+](=O)[O-] 9064 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)O 5694 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.167 CC1=CC(=C(C=C1)N)[N+](=O)[O-] 6774 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F 8384 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.222 C1=CC=C(C(=C1)C(=O)NO)O 9621 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,1,0,0,0,0|0,0,0]=1 244 B11R1.222 COC(=O)C1=C(C=CN=C1)N 10408 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.222 COC(=O)C1=C(C=NC=C1)Br 10681 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl 6783 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [0,1,0,0,0,0|2,0,0]=3 249 B11R2.1 C1=CC2=C(NN=C2C=C1)Br 9942 [0,0,0,1,0,0|2,0,1]=4 250 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [0,0,0,0,1,0|3,0,0]=4 251 B9R1.41 C1=CSC(=C1N)C(=O)N 6479 [0,0,0,0,1,0|2,0,0]=3 252 B9R1.41 C1=NNC(=C1C(=O)N)N 6705 [0,0,0,0,1,0|3,0,0]=4 253 B9R1.41 C1=NNC(=C1C(=O)O)N 8614 [0,0,0,0,1,0|3,0,0]=4 254 B9R1.41 Cc1ccoc1C(=O)O M0024 [0,0,0,0,1,0|3,0,0]=4 255 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [0,0,0,0,0,1|2,0,0]=3 256 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [0,0,0,0,0,1|2,0,0]=3 257 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [0,0,0,0,0,1|2,0,0]=3 258 B11R1.86 CC1=CC=CC=C1NC(=S)N 8725 [0,0,0,0,0,1|2,1,0]=4 259 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 265 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.5 C1=CC=C(C(=C1)Br)Br 5382 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.5 C1=CC=C(C(=C1)Br)I 6003 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.5 C1=CC=C(C(=C1)Cl)Br 9010 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.5 C1=CC=C(C(=C1)Cl)Cl 5752 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.5 C1=CC=C(C(=C1)F)Br 6002 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.5 C1=CC=C(C(=C1)F)Cl 10274 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.5 C1=CC=C(C(=C1)F)Cl 6006 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.5 C1=CC=C(C(=C1)F)F 6007 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.5 C1=CC=C(C(=C1)F)F 8369 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [2,0,0,0,0,0|1,0,0]=3 280 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.5 C1=CC=C(C(=C1)O)Br 8498 [2,0,0,0,0,0|1,0,1]=4 283 B8R1.5 C1=CN=CC(=C1N)Br 9751 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.5 C1=CN=CC(=C1N)N 9425 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.5 C1=CNC=C(C1=O)N 9533 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.5 CC1=C(C=CC=N1)Br 5675 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.5 CC1=C(C=CC=N1)N 10626 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.5 CC1=C(C=NC=C1)Br 10003 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.5 CC1=C(N=CC=C1)Br 8086 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.5 CC1=CC=CC=C1Cl 5808 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.5 CC1=CC=CC=C1I 5298 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.5 c1ccc(c(c1)N)F F0011 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [1,1,0,0,0,0|1,1,0]=4 300 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,1,0,0,0,0|0,0,2]=4 314 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [1,1,0,0,0,0|0,0,2]=4 328 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.113 C1=C(C=C(C=C1)I)[N+](=O)[O-] 10012 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.113 C1=CC(=CC(=C1)F)[N+](=O)[O-] 5276 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [1,1,0,0,0,0|0,0,0]=2 350 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [1,1,0,0,0,0|0,0,0]=2 351 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)C=O 6819 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 5345 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 6249 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O 6063 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.2 CC1=C(C=CC=C1F)C=O 9593 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.2 CC1=CC=CC(=C1C)C=O 9617 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.2 COC1=C(C(=CC=C1)Cl)F 9762 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.2 COC1=C(C(=CC=C1)F)Br 9813 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.2 COC1=C(C(=CC=C1)F)F 5984 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.20 C1=CC=C(C(=C1)C=O)C#N 8643 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.20 CCC1=CC=CC=C1NN 10327 [1,1,0,0,0,0|0,0,1]=3 369 B10R1.20 COC1=CC=CC=C1OC 9439 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.20 COC1=CC=CC=C1SC 5663 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.25 C1=CC(=C(C=C1Br)N)C#N 10495 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Cl 10651 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.25 CC1=CC(=C(C=C1)OC)I 6862 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.25 COC1=C(C=C(C=C1)Br)O 6683 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.25 COC1=C(C=C(C=C1)Cl)Br 6521 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.25 COC1=C(C=C(C=C1)Cl)I 6532 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.25 COC1=C(C=C(C=C1)F)Br 6127 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.25 COC1=C(C=C(C=C1)F)Cl 9547 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.25 COC1=C(C=C(C=C1)F)F 5613 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.25 COC1=C(C=C(C=C1)N)Br 9331 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.25 COC1=C(C=C(C=C1)N)F 5654 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.25 COC1=C(C=C(C=C1)N)I 10230 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.25 COC1=NC=C(C=C1N)Br 9588 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.30 C1=CC(=C(C=C1Br)C#N)N 5314 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Br 10177 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O 6718 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.30 C1=CC(=C(C=C1I)C=O)F 9372 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.30 C1=CC(=C(C=C1O)C=O)Br 8805 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.30 COC1=C(C=CC(=C1)Br)Cl 9742 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.30 COC1=C(C=CC(=C1)Br)F 5237 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.30 COC1=C(C=CC(=C1)Br)N 5264 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.30 COC1=C(C=CC(=C1)Br)O 6868 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.30 COC1=C(C=CC(=C1)F)F 8359 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.245 C1=CC(=C(C(=C1)Br)C#N)N 10485 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)F 8811 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.245 C1=CC(=C(C(=C1)Cl)C=O)F 8182 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.245 C1=CC(=C(C(=C1)F)C#N)N 6171 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.245 C1=CC(=C(C(=C1)F)C=O)F 5392 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.245 C1=CC(=C(C(=C1)F)CN)N 10115 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.245 CC1=C(C(=CC=C1)C)C=O 8504 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.245 CC1=C(C(=CC=C1)Cl)C=O 9501 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.245 COC1=C(C=CC=C1Cl)F 5577 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.245 COC1=C(C=CC=C1F)F 10315 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.39 CCN1C=CC=C1C(=O)C 6121 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.59 CC(=O)C1=C(SC(=C1)Cl)Cl 6023 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.149 COC(=O)C1=C(C=CS1)N 5465 [0,1,0,0,1,0|1,0,0]=3 414 B10R1.149 COC(=O)C1=C(C=CS1)O 10625 [0,1,0,0,1,0|2,0,0]=4 415 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)F 5666 [0,1,0,0,0,1|2,0,0]=4 416 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N 9191 [0,1,0,0,0,1|2,0,0]=4 417 B12R1.127 C1=CC(=C(C=C1Br)CC(=O)O)F 10432 [0,1,0,0,0,1|2,0,0]=4 418 B12R1.127 C1=CC(=C(C=C1Cl)CC(=O)O)F 9666 [0,1,0,0,0,1|2,0,0]=4 419 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br 10293 [0,1,0,0,0,1|2,0,0]=4 420 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Cl 10407 [0,1,0,0,0,1|2,0,0]=4 421 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)F 5420 [0,1,0,0,0,1|2,0,0]=4 422 B12R1.224 C1=CC(=C(C(=C1)Cl)F)CC(=O)O 5116 [0,1,0,0,0,1|2,0,0]=4 423 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O 6065 [0,1,0,0,0,1|2,0,0]=4 424 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [0,1,0,0,0,1|2,0,0]=4 425 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O 5453 [0,1,0,0,0,1|2,0,0]=4 426 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O 6068 [0,1,0,0,0,1|2,0,0]=4 427 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl 5419 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F 8986 [0,1,0,0,0,1|2,0,0]=4 429 B12R1.1009 C1=CC(=C(C(=C1)F)CC(=O)O)F 5629 [0,1,0,0,0,1|2,0,0]=4 430 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC 9275 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.57 CC1=CC(=C(C=C1)C(=O)O)OC 5304 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.77 COC(=O)C1=CC=CC=C1C=O 9112 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.77 COC(=O)C1=CC=CC=C1CN 10599 [0,2,0,0,0,0|0,0,0]=2 434 B12R1.261 C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] 6800 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O 10231 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)Cl)F 9229 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)F)Cl 10300 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)F)F 6352 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.894 C1=CC(=C(C(=C1F)C(=O)N)F)Cl 6247 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.894 C1=CC(=C(C(=C1F)C(=O)N)F)F 6414 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.894 CC(=O)C1=C(C=CC(=C1Cl)F)Cl 6426 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.894 CC(=O)C1=C(C=CC(=C1F)F)F 6348 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)N)F 9263 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)F 6256 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)Cl 6257 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)Cl 6258 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)F 6275 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)N)Cl 10035 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)O)Cl 6255 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)O)F 10352 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.894 Cc1ccc(c(c1F)C(=O)C)F D0062 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)Cl)F)F 8734 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)N)F)F 8183 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.1000 CC(=O)C1=C(C=C(C=C1F)F)F 9240 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.3441 COC(=O)C1=C(C=CC=C1F)F 8211 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.24 CC1=CC=CC(=C1N)C(=O)OC 6685 [0,2,0,0,0,0|0,0,0]=2 457 B12R1.511 C1=C(C=C(C(=C1Cl)Cl)C(=O)O)Cl 9269 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.511 C1=C(C=C(C(=C1Cl)N)C(=O)O)Cl 8154 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.511 C1=C(C=C(C(=C1F)F)C(=O)N)F 9239 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.511 C1=C(C=C(C(=C1F)F)C(=O)O)F 8733 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.511 C1=C(C=C(C(=C1F)N)[N+](=O)[O-])F 6214 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.511 CC1=CC(=CC(=C1N)[N+](=O)[O-])Br 8066 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F 6437 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)F)F 8925 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F 9268 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 5142 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 6058 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.893 C1=CC(=C(C(=C1[N+](=O)[O-])N)F)F 8741 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.893 C1=CC(=C(C(=C1[N+](=O)[O-])N)F)F 8907 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)F)F 6274 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.232 C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N 8321 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.232 C1=C(C(=CC(=C1F)Br)Cl)C(=O)O 9000 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl 8566 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O 6044 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl 5365 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl 8344 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N 5055 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 5056 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 6045 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)Cl)F 9430 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F 5454 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F 6066 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.232 CC1=C(C=C(C(=C1)C(=O)C)F)Cl 10345 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.232 CC1=CC(=C(C=C1C)[N+](=O)[O-])N 9415 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O D1689 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F 9952 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N 8810 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl 9613 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN 9582 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC 10692 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl 5266 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl 5134 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O 8269 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.1703 COC(=O)C1=CN=C(C=C1Cl)Cl 9009 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.354 C1=CC(=C(C=C1F)C(=O)CCl)F 6828 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.354 CC1=CC(=C(C=C1)I)C(=O)OC 9871 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC 9670 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)N 10459 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)N 6816 [0,2,0,0,0,0|0,0,0]=2 500 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)Br 5256 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.453 CC1=C(C=C(C=C1)OC)C(=O)O 9480 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.453 COC1=CC(=C(C=C1)N)[N+](=O)[O-] 6764 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.308 C1=CC=C(C(=C1)C(=O)N=C=S)Cl 6109 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N 8872 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl 5514 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.308 CCOC(=O)C1=CC=CC=C1F 5379 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.308 CCOC(=O)C1=CC=CC=C1I 8646 [0,2,0,0,0,0|1,0,0]=3 508 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [1,0,0,1,0,0|1,0,1]=4 509 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,1,0,0|1,0,1]=4 510 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [1,0,0,1,0,0|1,0,1]=4 511 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|1,0,1]=4 512 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|2,0,0]=4 513 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 8254 [0,1,0,1,0,0|0,0,1]=3 514 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.1081 CC1=CC=NC2=CC=CC=C12 9629 [0,1,0,1,0,0|1,0,1]=4 516 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.612 c1cc2c(cc1N)COC2=O A0079 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F 9344 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 5495 [0,1,0,1,0,0|1,0,0]=3 521 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl 6233 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 B1144 [0,1,0,1,0,0|1,0,0]=3 523 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [0,1,0,1,0,0|0,0,1]=3 524 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,1,0,1,0,0|1,0,0]=3 525 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [1,0,0,0,1,0|2,0,0]=4 527 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [1,0,0,0,1,0|2,0,0]=4 528 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [1,0,0,0,1,0|2,0,0]=4 529 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,0,0,0,1,0|1,0,0]=3 530 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,0,0,0,1,0|1,0,0]=3 531 B8R1.7 CC(=O)C1=NC=CS1 10337 [1,0,0,0,1,0|2,0,0]=4 532 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br 8755 [0,0,0,0,0,2|2,0,0]=4 533 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl 5181 [0,0,0,0,0,2|2,0,0]=4 534 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F 5182 [0,0,0,0,0,2|2,0,0]=4 535 B12R1.125 C1=CC=C(C(=C1)\C=C\C(=O)O)Br 5999 [0,0,0,0,0,2|2,0,0]=4 536 B12R1.125 CC1=CC=CC=C1CCC(=O)O 8274 [0,0,0,0,0,2|2,0,0]=4 537 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F 5602 [0,0,0,0,0,2|2,0,0]=4