0 B10R1.13 B(c1ccc(cc1)F)(O)O CM13569 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(c1ccc(cc1)Cl)N CM13559 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 CN(C)c1ccc(cc1)Cl CM11355 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CN(C)c1ccc(cc1)O CM10392 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.13 c1c(cnc(n1)C(=O)O)Br CM14286 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.13 c1c(cnc(n1)C(=O)O)Cl CM14287 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 c1c(cnc(n1)Cl)C(=O)O CM14062 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.13 c1cc(ccc1C(=O)Cl)Br CM12451 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 c1cc(ccc1C(=O)Cl)I CM12820 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.13 c1cc(ccc1C(F)F)Br CM12065 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br CM12110 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.13 c1cc(ccc1[N+](=O)[O-])F CM12273 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] CM11102 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] CM10446 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl CM13851 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.1 C=Cc1ccc(nc1)Br CM10147 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 CCc1ccc(cc1)F CM10050 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.1 CCc1ccc(cn1)Br CM10444 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.1 CNc1ccc(cc1)I CM11495 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 COc1ccc(cc1)F CM11749 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 COc1ccc(nc1)Br CM10454 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 Cc1ccc(nc1)C#N CM10108 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.1 c1c(cnc(n1)N)C=O CM10089 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 c1cc(ccc1C#N)Cl CM12995 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.1 c1cc(ccc1C#N)I CM13127 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.1 c1cc(ccc1C=O)F CM11946 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.1 c1cc(ccc1C=O)I CM11996 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.1 c1cc(ccc1CCl)F CM13407 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 c1cc(ccc1CO)F CM13405 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.1 c1cc(ccc1CO)N CM13264 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.1 c1cc(ccc1NN)F CM13799 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 c1cc(ncc1C=O)Br CM13843 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 c1cncnc1C(=O)O CM10263 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.3 CCc1ccc(nc1)C(=O)O CM10503 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.3 CN(C)c1ccc(cc1)OC CM11444 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.3 c1cc(ccc1C#N)[N+](=O)[O-] CM13141 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.3 c1cc(ccc1CBr)C(=O)O CM10952 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.19 CC(C)(C)c1ccc(cc1)I CM12102 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.19 C[Si](C)(C)c1ccc(cc1)F CM12331 [0,1,0,0,0,0|2,1,0]=4 55 B11R1.19 Cc1ccc(cc1)C(F)(F)F CM13257 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br CM11175 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.21 CC(=O)c1ccc(c(c1)Br)F CM11144 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl CM11181 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F CM11161 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.21 CC(=O)c1ccc(c(c1)F)Br CM11146 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl CM11164 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.21 CC(=O)c1ccc(c(c1)F)O CM11200 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl CM11123 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.21 CC(=O)c1ccc(c(c1)N)F CM11126 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.21 CN(C)c1ccc(c(c1)F)I CM10922 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl CM12596 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.21 Cc1cc(ccc1F)C(=O)C CM11205 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] CM13962 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] CM10138 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.21 Cc1cc(ccc1O)C(=O)O CM12806 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] CM11791 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.21 Cc1ccc(cc1Br)C(=O)O CM12535 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] CM13935 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.21 Cc1ccc(cc1F)C(=O)O CM12766 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] CM13961 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.21 Cc1ccc(cc1I)C(=O)Cl CM12824 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] CM13969 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.21 Cc1ccc(cc1N)C(C)C CM11504 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O CM14315 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.21 c1cc(c(cc1C(=O)Cl)F)Cl CM12579 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br CM12638 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl CM12462 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.21 c1cc(c(cc1C(=O)O)Br)I CM12518 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br CM12465 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F CM12575 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.21 c1cc(c(cc1C(=O)O)F)Br CM12500 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl CM12578 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.21 c1cc(c(cc1C(=O)O)F)F CM12108 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.21 c1cc(c(cc1C(=O)O)F)I CM12739 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.21 c1cc(c(cc1C(=O)O)F)N CM12407 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.21 c1cc(c(cc1C(=O)O)F)O CM12721 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.21 c1cc(c(cc1C(=O)O)I)Br CM10859 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl CM10858 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.21 c1cc(c(cc1C(=O)O)I)F CM10861 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.21 c1cc(c(cc1C(=O)O)I)I CM10862 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.21 c1cc(c(cc1C(=O)O)I)N CM12419 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl CM12360 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.21 c1cc(c(cc1C(=O)O)N)N CM13996 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.21 c1cc(c(cc1C(=O)O)O)F CM12724 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.21 c1cc(c(cc1C(=O)O)O)I CM12805 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.21 c1cc(c(cc1C(=O)O)O)N CM12417 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)Cl CM12055 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N CM11321 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)N CM11379 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Br CM12096 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Cl CM11278 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)F CM12228 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)I CM12268 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N CM11474 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)O CM11766 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N CM11499 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br CM11322 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F CM11476 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F CM11768 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.22 COC(=O)c1ccc(cc1)N CM12345 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.22 COC(=O)c1cnc(cn1)O CM14417 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.22 COC(=O)c1cnc(nc1)Br CM10434 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.22 COC(=O)c1cnc(nc1)Cl CM14061 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.22 COC(=O)c1cnc(nc1)N CM10696 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.22 c1cc(ccc1C(=NO)N)F CM12026 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.22 c1cc(ccc1C(=O)CBr)Br CM11176 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.22 c1cc(ccc1C(=O)NN)Cl CM13812 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 c1cc(ccc1C(CO)O)Br CM10185 [0,1,0,0,0,0|1,0,2]=4 127 B11R1.166 CC(=O)c1c[nH]c(=O)[nH]c1=O CM14300 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.166 CC(=O)c1ccc(cc1Br)N CM11122 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl CM11180 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.166 CC(=O)c1ccc(cc1Cl)F CM11158 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.166 CC(=O)c1ccc(cc1Cl)O CM11165 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.166 CC(=O)c1ccc(cc1F)Br CM11145 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.166 CC(=O)c1ccc(cc1F)Cl CM11163 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.166 CC(=O)c1ccc(cc1N)F CM10552 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.166 CC(=O)c1ccc(cc1O)Br CM14016 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.166 CC(=O)c1ccc(cc1O)Cl CM14015 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.166 CC(=O)c1ccc(cc1O)F CM14014 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.166 CC(=O)c1ccc(cc1O)N CM11128 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.166 Cc1cc(ccc1C(=O)O)F CM12767 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F CM13968 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CM10965 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.166 Cc1ccc(c(c1)C)C(F)F CM12252 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O CM12591 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.166 Cc1ccc(c(c1)F)C(=O)O CM10021 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] CM13964 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.166 Cc1ccc(c(c1)N)C(=O)O CM12428 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.166 Cc1ccc(c(n1)C)[N+](=O)[O-] CM14042 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.166 c1cc(c(cc1Br)Br)C(=O)N CM13171 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O CM12636 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.166 c1cc(c(cc1Br)F)C(=O)O CM12499 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] CM12095 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.166 c1cc(c(cc1Br)I)[N+](=O)[O-] CM12104 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.166 c1cc(c(cc1Br)N)C(=O)O CM12349 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.166 c1cc(c(cc1Br)N)[N+](=O)[O-] CM11327 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.166 c1cc(c(cc1Br)O)C(=O)O CM12513 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] CM11665 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O CM12458 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O CM12577 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.166 c1cc(c(cc1Cl)F)[N+](=O)[O-] CM12146 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N CM13164 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O CM12359 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] CM11382 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O CM12585 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.166 c1cc(c(cc1F)Br)C(=O)O CM12488 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] CM12090 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] CM12143 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.166 c1cc(c(cc1F)F)C(=O)O CM12655 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.166 c1cc(c(cc1F)N)C(=O)O CM12396 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] CM11481 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.166 c1cc(c(cc1F)O)C(=O)O CM10955 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] CM11775 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.166 c1cc(c(cc1I)F)C(=O)O CM12733 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.166 c1cc(c(cc1I)F)[N+](=O)[O-] CM10226 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] CM11324 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CM12361 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.166 c1cc(c(cc1N)F)C(=O)O CM12405 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] CM11695 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] CM11771 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.166 c1cc(c(cc1O)I)C(=O)O CM10163 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] CM10296 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.35 Cn1cc(nc1)C(=O)O CM14072 [0,0,0,0,1,0|3,0,0]=4 182 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [0,0,0,0,1,0|2,0,0]=3 183 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,0,0,0,0,1|1,0,0]=2 184 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,0,0,0,0,1|1,0,0]=2 185 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,0,0,0,0,1|1,0,0]=2 186 B11R1.20 CC(C)Cc1ccc(cc1)Br CM12109 [0,0,0,0,0,1|2,0,1]=4 187 B11R1.20 CC(C)Oc1ccc(cc1)N CM11503 [0,0,0,0,0,1|2,0,1]=4 188 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,0,0,0,0,1|2,0,0]=3 189 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [0,0,0,0,0,1|2,0,0]=3 190 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [0,0,0,0,0,1|2,0,0]=3 191 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.3 Cc1ccc(=O)[nH]n1 CM11032 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.3 Cc1ccc(cn1)N CM14483 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.3 c1cc(ccc1Br)Br CM12170 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.3 c1cc(ccc1Br)I CM12101 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.3 c1cc(ccc1I)I CM12236 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.3 c1cc(ccc1O)F CM11750 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.1 Cc1ccc(cc1)CC#N CM13728 [1,1,0,0,0,0|0,0,2]=4 199 B10R1.1 c1cc(ccc1CCBr)Cl CM13503 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.1 c1cc(ccc1CCBr)F CM13509 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.1 c1cc(ccc1CCCl)Cl CM13502 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.1 c1cc(ccc1CCO)F CM13508 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 c1cc(ccc1CCO)O CM10966 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.1 c1cc(ccc1N=C=O)F CM13772 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.3 CSc1ccc(cc1)CN CM13545 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.3 c1cc(ccc1CN)C#N CM12929 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.3 c1cc(ccc1CO)CBr CM13301 [1,1,0,0,0,0|0,0,2]=4 209 B10R1.25 CCc1ccc(cc1Br)N CM10376 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.25 CCc1ccc(cc1Cl)N CM10383 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.25 COc1ccc(cc1Br)F CM11629 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.25 COc1ccc(cc1Cl)F CM11675 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.25 COc1ccc(cc1F)Br CM11639 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.25 COc1ccc(cc1F)N CM11578 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.25 COc1ccc(cc1F)O CM10878 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.25 COc1ccc(cc1I)N CM11589 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.25 COc1ccc(cc1N)F CM10389 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.25 COc1ccc(cc1N)I CM11585 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.25 Cc1cc(ccc1C=O)F CM11974 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.25 Cc1cc(ccc1C=O)O CM11992 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.25 Cc1cc(ccc1OC)N CM11595 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 Cc1ccc(c(c1)Cl)NN CM13797 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.25 Cc1ccc(c(c1)Cl)OC CM10214 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.25 Cc1ccc(c(c1)F)C#N CM13088 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.25 Cc1ccc(c(c1)F)C=O CM11969 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.25 Cc1ccc(c(c1)N)C#N CM12931 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.25 c1cc(c(cc1Br)Br)C=O CM11917 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.25 c1cc(c(cc1Br)Cl)C=O CM11829 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.25 c1cc(c(cc1Br)F)C=O CM11842 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.25 c1cc(c(cc1Br)O)C=O CM11853 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.25 c1cc(c(cc1Cl)F)C=O CM11881 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.25 c1cc(c(cc1Cl)O)C=O CM11886 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.25 c1cc(c(cc1F)Br)C=O CM11837 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.25 c1cc(c(cc1F)Cl)C=O CM11876 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.25 c1cc(c(cc1F)F)C=O CM11929 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.25 c1cc(c(cc1F)N)C=O CM11825 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.25 c1cc(c(cc1F)O)C=O CM11951 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.25 c1cc(c(cc1I)F)C=O CM11953 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.25 c1cc(c(cc1O)Br)C=O CM10868 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.25 c1cc(c(cc1O)Cl)C=O CM10154 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.25 c1cc(c(cc1O)F)C=O CM11947 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.25 c1cc(c(cc1O)I)C=O CM10867 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.25 c1cc(nc(c1C=O)Br)Br CM10104 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.176 CCc1ccc(c(c1)N)O CM10378 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.176 CCc1ccc(c(c1)O)O CM10874 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.176 CNc1ccc(c(c1)Cl)Cl CM11409 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.176 COc1ccc(c(c1)Br)Br CM11710 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.176 COc1ccc(c(c1)Br)Cl CM11606 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.176 COc1ccc(c(c1)Br)F CM11635 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.176 COc1ccc(c(c1)Br)N CM11549 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.176 COc1ccc(c(c1)Br)O CM10826 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.176 COc1ccc(c(c1)Cl)Br CM11609 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.176 COc1ccc(c(c1)Cl)I CM10120 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.176 COc1ccc(c(c1)Cl)N CM10924 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.176 COc1ccc(c(c1)F)Br CM11640 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.176 COc1ccc(c(c1)F)Cl CM11682 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.176 COc1ccc(c(c1)F)N CM11580 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.176 COc1ccc(c(c1)F)O CM10554 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.176 COc1ccc(c(c1)I)Br CM11651 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.176 COc1ccc(c(c1)I)N CM11588 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.176 COc1ccc(c(c1)N)Cl CM11555 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.176 COc1ccc(c(c1)N)F CM11576 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.176 COc1ccc(c(c1)N)N CM11705 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.176 COc1ccc(c(c1)N)N CM11706 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.176 Cc1cc(ccc1Br)OC CM10191 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.176 Cc1cc(ccc1Cl)C=O CM11897 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.176 Cc1cc(ccc1N)OC CM11596 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.176 Cc1cc(ccc1O)C=O CM11993 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.176 Cc1cc(cnc1O)C=O CM10161 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.176 Cc1ccc(cc1Br)OC CM11656 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.176 Cc1ccc(cc1C)C=O CM11941 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.176 Cc1ccc(cc1Cl)CN CM13525 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.176 Cc1ccc(cc1F)C#N CM13092 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.176 Cc1ccc(cc1F)C=O CM11972 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.176 Cc1ccc(cc1F)OC CM11761 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.176 Cc1ccc(cc1N)OC CM11592 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.176 c1cc(c(cc1C=O)Br)O CM11852 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.176 c1cc(c(cc1C=O)Cl)F CM11879 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.176 c1cc(c(cc1C=O)F)Br CM11843 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.176 c1cc(c(cc1C=O)F)Cl CM11882 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.176 c1cc(c(cc1C=O)F)F CM11932 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.176 c1cc(c(cc1C=O)F)I CM11955 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.176 c1cc(c(cc1C=O)F)O CM11950 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.176 c1cc(c(cc1C=O)I)Br CM10864 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.176 c1cc(c(cc1C=O)I)Cl CM10865 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.176 c1cc(c(cc1C=O)I)F CM10860 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.176 c1cc(c(cc1C=O)I)I CM10863 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.176 c1cc(c(cc1C=O)O)Br CM11854 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.176 c1cc(c(cc1C=O)O)O CM13991 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.15 CCC(C)c1ccccc1 CM12120 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.15 COC(=O)c1cccnc1 CM10959 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [1,1,0,0,0,0|0,0,0]=2 293 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.61 CC(C)c1ccccc1Br CM12111 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.61 CN(C)c1ccccc1F CM11439 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F CM12272 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.113 CC(C)c1cccc(c1)Br CM12107 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.113 CC(c1cccc(c1)F)N CM13557 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.113 CC(c1cccc(c1)F)O CM13506 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.113 c1cnc(cc1C(=O)O)N CM14043 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.14 COC(=O)c1cc(sc1)Br CM10537 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.4 CCc1ccc(cc1)CC(=O)C CM11252 [0,1,0,0,0,1|0,0,0]=2 319 B12R1.4 c1cc(ccc1CC(=O)O)C#N CM13684 [0,1,0,0,0,1|1,0,1]=4 320 B12R1.19 Cc1ccc(cc1C)CC(=O)O CM13697 [0,1,0,0,0,1|1,0,0]=3 321 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O CM13658 [0,1,0,0,0,1|2,0,0]=4 322 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl CM13673 [0,1,0,0,0,1|2,0,0]=4 323 B12R1.19 c1cc(c(cc1CC(=O)O)F)O CM13706 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.49 COC(=O)Cc1ccc(cc1)O CM13716 [0,1,0,0,0,1|1,0,0]=3 325 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O CM13655 [0,1,0,0,0,1|2,0,0]=4 326 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O CM13670 [0,1,0,0,0,1|2,0,0]=4 327 B12R1.233 c1cc(c(cc1F)F)CC(=O)O CM13690 [0,1,0,0,0,1|2,0,0]=4 328 B12R1.233 c1cc(c(cc1N)F)CC(=O)O CM13648 [0,1,0,0,0,1|2,0,0]=4 329 B12R1.5 CCc1ccc(cc1)C(=O)CC CM11251 [0,2,0,0,0,0|0,0,0]=2 330 B12R1.5 c1cc(ccc1C#N)C(=O)CBr CM12947 [0,2,0,0,0,0|0,0,1]=3 331 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N CM12901 [0,2,0,0,0,0|0,0,1]=3 332 B12R1.48 CC(=O)c1ccc(c(c1)F)OC CM11203 [0,2,0,0,0,0|0,0,0]=2 333 B12R1.48 CCc1ccc(cc1N)[N+](=O)[O-] CM10375 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.48 COc1ccc(cc1F)C(=O)Cl CM12751 [0,2,0,0,0,0|1,0,0]=3 335 B12R1.48 COc1ccc(cc1F)C(=O)O CM12750 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] CM11783 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] CM11600 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.48 Cc1cc(ccc1C#N)C(=O)C CM11174 [0,2,0,0,0,0|0,0,1]=3 339 B12R1.48 Cc1cc(ccc1C#N)C(=O)O CM12630 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] CM11789 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.48 c1cc(c(cc1C(=O)O)Br)C=O CM10116 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.48 c1cc(c(cc1C(=O)O)F)C#N CM12623 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.113 CCOc1ccc(cc1)C(=O)O CM12707 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O CM12342 [0,2,0,0,0,0|0,0,1]=3 345 B12R1.452 CC(=O)c1ccc(cc1F)OC CM11202 [0,2,0,0,0,0|0,0,0]=2 346 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl CM12745 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.452 COc1ccc(c(c1)F)C(=O)O CM12744 [0,2,0,0,0,0|1,0,0]=3 348 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] CM11769 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] CM11785 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.452 COc1ccc(c(c1)N)C(=O)O CM12421 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] CM11786 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.452 COc1ccc(c(n1)F)C(=O)O CM10677 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])CO CM13446 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC CM11787 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O CM12621 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.452 c1cc(c(cc1CBr)F)[N+](=O)[O-] CM13425 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)F CM12224 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)N CM11472 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.23 Cc1ccc(cc1Cl)S(=O)(=O)C CM13946 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.23 Cc1ccc(cc1N)C(C)(C)C CM10397 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.56 CC(=O)c1ccc(c(c1)C#N)N CM12900 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.56 CC(=O)c1ccc(c(c1)OC)F CM11204 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.56 CC(=O)c1ccc(c(c1)OC)O CM10957 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.56 CCc1cc(ccc1N)C(=O)O CM12392 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.56 COc1cc(ccc1Br)C(=O)O CM12524 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.56 COc1cc(ccc1Cl)C(=O)O CM12590 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.56 COc1cc(ccc1F)C(=O)O CM12753 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.56 COc1cc(ccc1N)C(=O)O CM12425 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.56 Cc1ccc(cc1C#N)[N+](=O)[O-] CM13137 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.56 Cc1ccc(cc1C=O)[N+](=O)[O-] CM12001 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O CM10476 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F CM11140 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.232 CC(=O)c1cc(c(cc1F)F)F CM11233 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O CM12509 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.232 Cc1cc(c(cc1C(=O)O)Br)C CM10198 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.232 Cc1cc(c(cc1C)N)C(=O)O CM12386 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.232 Cc1cc(c(cc1C)[N+](=O)[O-])N CM11448 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.232 Cc1cc(c(cc1Cl)[N+](=O)[O-])F CM13942 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O CM12506 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br CM12508 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O CM12804 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.232 Cc1cc(c(cc1N)[N+](=O)[O-])C CM11446 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.232 Cc1cc(c(cc1N)[N+](=O)[O-])F CM11471 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.232 Cc1cc(c(cc1O)C(=O)O)F CM12728 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Br)C CM12084 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O CM12366 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O CM12468 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O CM12368 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O CM12570 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O CM12467 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.232 c1c(c(cc(c1F)Br)F)C(=O)O CM12480 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl CM12645 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O CM12644 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl CM12569 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O CM12568 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O CM12477 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O CM12562 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl CM12881 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O CM12880 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] CM12879 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O CM12375 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.232 c1c(c(cc(c1N)Cl)Cl)C(=O)O CM12371 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.367 COC(=O)c1ccc(c(c1)Br)I CM12516 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.367 COC(=O)c1ccc(c(c1)F)N CM12406 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.367 COC(=O)c1ccc(c(c1)I)N CM12418 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.367 COC(=O)c1ccc(c(c1)I)O CM10364 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CM12352 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.367 COC(=O)c1ccc(c(c1)N)O CM12415 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.367 COC(=O)c1ccc(c(c1)O)N CM12416 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F CM11157 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.893 CC(=O)c1ccc(c(c1F)F)F CM11230 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C CM12387 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O CM12384 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.893 Cc1ccc(c(c1F)C)[N+](=O)[O-] CM12261 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F CM12873 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F CM12473 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F CM12643 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F CM12565 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br CM12479 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F CM12872 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N CM12380 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O CM12668 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F CM12670 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F CM12372 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F CM12673 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F CM12871 [0,2,0,0,0,0|2,0,0]=4 427 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br CM11178 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)N)Cl CM11124 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.1005 Cc1c(cc(cc1Cl)[N+](=O)[O-])Cl CM13953 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)N CM12412 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)O CM12729 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)O CM12485 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)O CM10075 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.1005 Cc1cc(cc(c1N)C)C(=O)O CM12390 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.1005 c1c(cc(c(c1Br)N)Br)C(=O)O CM12367 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O CM12870 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.1005 c1c(cc(c(c1Cl)F)Cl)C(=O)O CM12649 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)C(=O)O CM12370 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.1005 c1c(cc(c(c1F)F)Br)C(=O)O CM12478 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.1005 c1c(cc(c(c1F)F)Cl)C(=O)O CM10074 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)O CM12884 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.1005 c1c(cc(c(c1F)N)F)C(=O)O CM12381 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.1005 c1c(cc(c(c1F)O)F)C(=O)O CM12674 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl CM11249 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.1703 CCC(=O)c1ccc(cc1F)Br CM10141 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.1703 CNC(=O)c1ccc(cc1F)Br CM13187 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.1703 CNC(=O)c1ccc(cc1F)I CM13186 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.1703 COC(=O)c1ccc(cc1Br)Cl CM12459 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.1703 COC(=O)c1ccc(cc1Br)F CM12487 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.1703 COC(=O)c1ccc(cc1Cl)Br CM12464 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.1703 COC(=O)c1ccc(cc1Cl)N CM12362 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.1703 COC(=O)c1ccc(cc1F)Br CM12498 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.1703 COC(=O)c1ccc(cc1F)F CM12656 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.1703 COC(=O)c1ccc(cc1F)I CM12732 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.1703 COC(=O)c1ccc(cc1F)N CM12404 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.1703 COC(=O)c1ccc(cc1F)O CM12714 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.1703 COC(=O)c1ccc(cc1N)Br CM12348 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.1703 COC(=O)c1ccc(cc1N)F CM12395 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.1703 COC(=O)c1ccc(cc1O)F CM12722 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.57 COc1cc(ccc1C(=O)O)F CM12752 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.57 COc1cc(ccc1C(=O)O)O CM10237 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] CM11790 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F CM11234 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)C CM10102 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.1000 Cc1cc(cc(c1C(=O)O)Br)F CM12507 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F CM12704 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.1000 Cc1cc(cc(c1C(=O)O)F)Br CM12510 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F CM12883 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)Cl CM12646 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)F CM12564 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br CM12481 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F CM12882 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O CM12672 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F CM12376 [0,2,0,0,0,0|2,0,0]=4 475 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br CM13592 [0,0,0,1,0,1|2,0,0]=4 476 B12R2.606 Cc1cc2cc(ccc2[nH]1)F CM13612 [0,0,0,1,0,1|2,0,0]=4 477 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [0,0,0,1,0,1|2,0,0]=4 478 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 CM14289 [0,0,0,1,0,1|1,0,0]=3 479 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 CM14364 [0,0,0,1,0,1|2,0,0]=4 480 B12R2.606 c1cc2c(cc1F)NC(=O)C2 CM14302 [0,0,0,1,0,1|2,0,0]=4 481 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br CM10788 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.612 Cc1c2ccc(cc2[nH]n1)F CM10796 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,1,0,1,0,0|1,0,0]=3 484 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [0,1,0,1,0,0|1,0,0]=3 485 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [0,1,0,1,0,0|1,0,0]=3 486 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [0,1,0,1,0,0|1,0,0]=3