0 B11R1.167 CC(=O)c1cc(ccc1Br)F CM10079 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.167 CC(=O)c1cc(ccc1Cl)F CM11159 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.167 CC(=O)c1cc(ccc1F)Br CM11147 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.167 CC(=O)c1cc(ccc1I)F CM11201 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.167 CC(=O)c1cc(ccc1O)Br CM14330 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.167 CC(C)c1cc(ccc1O)Cl CM10119 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.167 Cc1ccc(c(c1)C(=O)N)N CM13166 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br CM12531 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CM12701 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl CM12592 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.167 Cc1ccc(c(c1)C(=O)O)F CM12761 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.167 Cc1ccc(c(c1)C(=O)O)I CM12821 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F CM13967 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.167 Cc1ccc(cc1C(=O)O)Br CM12537 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.167 Cc1ccc(cc1C(=O)O)F CM10930 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.167 Cc1ccc(cc1C(=O)O)I CM12825 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.167 Cc1ccc(cc1C(=O)O)N CM12431 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.167 Cc1ccc(cc1C(=O)O)O CM10889 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F CM13966 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O CM11793 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br CM10692 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Br CM14100 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.167 c1cc(c(cc1Br)C(=O)O)F CM12504 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.167 c1cc(c(cc1Br)C(=O)O)I CM12521 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N CM11326 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O CM11662 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F CM12580 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br CM12049 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])F CM12148 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])N CM11381 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.167 c1cc(c(cc1F)C(=O)O)F CM12658 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.167 c1cc(c(cc1F)C(=O)O)I CM12741 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.167 c1cc(c(cc1F)C(=O)O)N CM12398 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.167 c1cc(c(cc1F)C(=O)O)O CM12725 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F CM12657 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Br CM12091 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])F CM12226 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])I CM12270 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O CM11772 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CM12515 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl CM12586 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.167 c1cc(c(cc1I)C(=O)O)F CM12735 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.167 c1cc(c(cc1I)C(=O)O)I CM12693 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])F CM12266 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])I CM12237 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])N CM11500 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.167 c1cc(c(cc1N)C(=O)O)F CM12408 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F CM11480 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CM12583 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.167 c1cc(c(cc1O)C(=O)O)F CM12716 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl CM11696 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F CM11773 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl CM14027 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.30 CCc1cc(ccc1F)O CM10379 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.30 CCc1cc(ccc1N)Br CM11297 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.30 COc1cc(ccc1Br)F CM11630 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.30 COc1cc(ccc1Br)I CM11648 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 COc1cc(ccc1Br)N CM11550 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.30 COc1cc(ccc1Cl)F CM11676 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.30 COc1cc(ccc1Cl)I CM11687 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.30 COc1cc(ccc1Cl)N CM11557 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.30 COc1cc(ccc1Cl)O CM10884 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.30 COc1cc(ccc1F)F CM11723 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.30 COc1cc(ccc1F)N CM11582 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 COc1cc(ccc1F)O CM11756 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.30 COc1cc(ccc1I)Br CM11652 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 COc1cc(ccc1I)Cl CM11691 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.30 COc1cc(ccc1I)I CM10921 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.30 COc1cc(ccc1N)Br CM10651 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.30 COc1cc(ccc1N)F CM11572 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.30 COc1cc(ccc1N)I CM11586 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.30 COc1cc(ccc1O)N CM10211 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.30 Cc1ccc(c(c1)C#N)F CM13089 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.30 Cc1ccc(c(c1)C#N)O CM10144 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.30 Cc1ccc(c(c1)C=O)F CM11970 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.30 Cc1ccc(c(c1)OC)Br CM11655 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.30 Cc1ccc(cc1C=O)Br CM11858 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.30 Cc1ccc(cc1C=O)F CM11975 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.30 c1cc(c(cc1Br)C=O)Cl CM11830 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.30 c1cc(c(cc1Br)C=O)F CM11844 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.30 c1cc(c(cc1Br)C=O)I CM11855 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.30 c1cc(c(cc1Cl)C=O)Br CM14485 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.30 c1cc(c(cc1Cl)C=O)N CM11824 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.30 c1cc(c(cc1F)C=O)Br CM11838 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.30 c1cc(c(cc1F)C=O)Cl CM11877 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.30 c1cc(c(cc1F)C=O)F CM11930 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.30 c1cc(c(cc1F)C=O)I CM11958 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.30 c1cc(c(cc1F)C=O)O CM11952 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.30 c1cc(c(cc1O)C=O)F CM10372 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.61 CC(C)c1ccccc1Br CM12111 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.61 CN(C)c1ccccc1F CM11439 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F CM12272 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.113 CC(C)c1cccc(c1)Br CM12107 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.113 CC(c1cccc(c1)F)N CM13557 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.113 CC(c1cccc(c1)F)O CM13506 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [1,0,0,0,0,0|0,0,0]=1 105 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [1,0,0,0,0,0|1,0,1]=3 106 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.113 c1cnc(cc1C(=O)O)N CM14043 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [1,0,0,0,0,0|3,0,0]=4 114 B12R1.46 COc1ccc(cc1C(=O)O)F CM10931 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])C=O CM12002 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.46 c1cc(c(cc1Br)C(=O)O)C#N CM12472 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.46 c1cc(c(cc1Cl)[N+](=O)[O-])CO CM13327 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.46 c1cc(c(cc1F)[N+](=O)[O-])CO CM13426 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.128 Cc1ccc(c(c1)C(C)(C)C)N CM10207 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O CM14383 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F CM11140 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.232 CC(=O)c1cc(c(cc1F)F)F CM11233 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O CM12509 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.232 Cc1cc(c(cc1Br)F)[N+](=O)[O-] CM13930 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.232 Cc1cc(c(cc1C(=O)O)Br)C CM10198 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.232 Cc1cc(c(cc1C)N)C(=O)O CM12386 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.232 Cc1cc(c(cc1C)[N+](=O)[O-])N CM11448 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.232 Cc1cc(c(cc1Cl)F)[N+](=O)[O-] CM11046 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.232 Cc1cc(c(cc1Cl)N)[N+](=O)[O-] CM11378 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O CM12506 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br CM12508 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O CM12804 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.232 Cc1cc(c(cc1N)F)[N+](=O)[O-] CM11469 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.232 Cc1cc(c(cc1O)C(=O)O)F CM12728 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O CM12366 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O CM12468 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O CM12368 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O CM12570 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O CM12467 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.232 c1c(c(cc(c1F)Br)F)C(=O)O CM12480 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl CM12645 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O CM12644 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl CM12569 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O CM12568 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O CM12477 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O CM12562 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl CM12881 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O CM12880 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] CM12879 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O CM12375 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.232 c1c(c(cc(c1N)Cl)Cl)C(=O)O CM12371 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.354 COC(=O)c1cc(ccc1Br)F CM12489 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.354 COC(=O)c1cc(ccc1Cl)Br CM12466 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.354 COC(=O)c1cc(ccc1F)Br CM12503 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.354 COC(=O)c1cc(ccc1F)I CM12734 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.354 COC(=O)c1cc(ccc1I)Br CM12520 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.354 COC(=O)c1cc(ccc1N)Br CM12350 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.354 COC(=O)c1cc(ccc1N)F CM12397 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.354 Cc1ccc(cc1C(=O)OC)Br CM12536 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.354 Cc1ccc(cc1C(=O)OC)F CM12768 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.354 Cc1ccc(cc1C(=O)OC)I CM12826 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.354 Cc1ccc(cc1C(=O)OC)O CM12807 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F CM11156 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.453 CCc1ccc(c(c1)[N+](=O)[O-])O CM10377 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl CM12589 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.453 COc1ccc(c(c1)C(=O)O)F CM12746 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.453 COc1ccc(c(c1)C(=O)O)N CM12423 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br CM11663 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N CM11602 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.453 Cc1ccc(cc1C(=O)O)OC CM12834 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])OC CM11788 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.453 c1cc(c(cc1C#N)C(=O)O)Br CM12469 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.453 c1cc(c(cc1C#N)C(=O)O)F CM12625 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.453 c1cc(c(cc1C#N)C(=O)O)I CM10354 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.453 c1cc(c(cc1CO)[N+](=O)[O-])O CM13434 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.511 CC(=O)c1cc(cc(c1F)Cl)Cl CM11183 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.511 CC(=O)c1cc(cc(c1F)F)F CM11231 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C CM12385 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.511 Cc1cc(c(c(c1)F)F)C(=O)O CM12681 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])N)C CM11447 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.511 Cc1cc(c(c(c1)[N+](=O)[O-])O)C CM11745 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.511 c1c(cc(c(c1C(=O)O)Br)F)F CM12474 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)F)F CM12561 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.511 c1c(cc(c(c1C(=O)O)F)Cl)Cl CM12648 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)Br CM12482 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)F CM12874 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Br CM12639 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl CM12653 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)F)Br CM11646 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.894 CC(=O)c1c(ccc(c1F)F)F CM11232 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.894 c1cc(c(c(c1F)C(=O)Cl)F)F CM12876 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.894 c1cc(c(c(c1F)C(=O)O)Br)F CM12475 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)Cl CM12566 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.894 c1cc(c(c(c1F)C(=O)O)F)F CM12875 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.894 c1cc(c(c(c1F)Cl)C(=O)O)Cl CM12647 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Br CM12483 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.894 c1cc(c(c(c1N)C(=O)O)F)F CM12382 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.894 c1cc(c(c(c1N)F)C(=O)O)F CM12378 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br CM10787 [0,0,0,1,0,0|3,0,0]=4 200 B12R2.132 Cc1c2cc(ccc2[nH]n1)F CM10795 [0,0,0,1,0,0|3,0,0]=4 201 B12R2.132 Cc1c2cc(ccc2[nH]n1)I CM10793 [0,0,0,1,0,0|3,0,0]=4 202 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 CM14374 [0,0,0,1,0,0|2,0,0]=3 203 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10486 [0,0,0,1,0,0|1,0,0]=2 204 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10771 [0,0,0,1,0,0|1,0,0]=2 205 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 CM10602 [0,0,0,1,0,0|3,0,0]=4 206 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 CM10770 [0,0,0,1,0,0|1,0,0]=2 207 B12R1.127 c1cc(c(cc1Br)CC(=O)O)Br CM13689 [0,0,0,0,0,1|3,0,0]=4 208 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F CM10070 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.2 CCc1cccc(c1)Br CM12087 [2,0,0,0,0,0|1,0,1]=4 210 B9R1.2 CCc1cccc(c1)N CM11452 [2,0,0,0,0,0|1,0,1]=4 211 B9R1.2 CNc1cccc(c1)O CM10115 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.2 Cc1cccc(c1)CF CM13445 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.15 CSc1ccccc1I CM11822 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.15 Cc1ccncc1C=O CM10260 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.69 Cc1cc(ccc1Br)Br CM13950 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.69 Cc1cc(ccc1Br)I CM13933 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.69 Cc1cc(ccc1Cl)I CM13944 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.69 Cc1cc(ccc1F)N CM11467 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.69 Cc1cc(ccc1F)O CM11763 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.69 Cc1cc(ccc1N)Br CM11319 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.69 Cc1cc(ccc1O)F CM11762 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.69 Cc1ccc(c(c1)Br)C CM12247 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.69 Cc1ccc(c(c1)C)Br CM12246 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.69 Cc1ccc(c(c1)C)Cl CM12249 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.69 Cc1ccc(c(c1)Cl)N CM11376 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.69 Cc1ccc(c(c1)Cl)O CM10213 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.69 Cc1ccc(c(c1)F)Br CM13929 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.69 Cc1ccc(c(c1)F)F CM13957 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.69 Cc1ccc(c(c1)F)N CM11463 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.69 Cc1ccc(c(c1)I)N CM11496 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.69 Cc1ccc(c(c1)N)I CM11497 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.69 Cc1ccc(c(c1)O)Br CM10472 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.69 Cc1ccc(c(c1)O)F CM11758 [2,0,0,0,0,0|1,0,1]=4 235 B9R1.69 Cc1ccc(cc1C)Cl CM12251 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.69 Cc1ccc(cc1C)F CM12256 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.69 c1cc(c(cc1Br)I)O CM11650 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.69 c1cc(c(cc1Br)N)O CM11544 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.69 c1cc(c(cc1Cl)F)O CM11681 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 c1cc(c(cc1Cl)I)O CM11689 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.69 c1cc(c(cc1F)Br)O CM11628 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.69 c1cc(c(cc1F)F)O CM11724 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.69 c1cc(c(cc1F)I)O CM10851 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.69 c1cc(c(cc1F)N)O CM11571 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.69 c1cc(c(cc1I)Br)O CM10644 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.69 c1cc(c(cc1I)F)O CM11751 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.69 c1cc(c(cc1N)F)O CM11579 [2,0,0,0,0,0|2,0,0]=4 248 B11R1.8 c1c(cc(c(c1C=O)F)Br)Br CM11918 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.8 c1c(cc(c(c1C=O)F)F)Br CM10130 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.8 c1c(cc(c(c1C=O)F)F)F CM12011 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.8 c1c(cc(c(c1C=O)O)Cl)Cl CM11925 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.37 COc1c(cc(cn1)Br)C=O CM10177 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.37 COc1ccc(cc1C=O)Br CM11857 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.37 COc1ccc(cc1C=O)Cl CM11893 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.37 COc1ccc(cc1C=O)F CM11967 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.37 COc1ccc(cc1OC)F CM12244 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.37 COc1ccc(cc1OC)O CM11739 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.37 Cc1ccc(c(c1)OC)C#N CM13131 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.72 c1cc(c(c(c1F)C=O)Br)Cl CM10228 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.72 c1cc(c(c(c1F)C=O)Br)F CM10107 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.72 c1cc(c(c(c1F)C=O)Cl)F CM11870 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.72 c1cc(c(c(c1F)C=O)F)F CM12012 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.72 c1cc(c(c(c1F)Cl)C=O)Cl CM11921 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.72 c1cc(c(c(c1F)F)C=O)Cl CM11872 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.182 Cc1ccc(c(c1)N=C=O)Cl CM13763 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.182 Cc1ccc(c(c1)N=C=O)F CM13774 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.277 COc1cc(c(cc1O)F)Br CM11643 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.277 Cc1cc(c(cc1Br)F)C=O CM11849 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.277 Cc1cc(c(cc1C=O)F)Br CM11850 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.277 Cc1cc(c(cc1Cl)C)C=O CM11874 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.277 Cc1cc(c(cc1F)Br)C=O CM11846 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.277 Cc1cc(c(cc1F)C=O)Br CM11848 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.277 Cc1cc(c(cc1F)C=O)O CM10065 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.277 Cc1cc(c(cc1O)C)C=O CM10049 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O CM11871 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.277 c1c(c(cc(c1F)Br)F)C=O CM11834 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O CM11919 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O CM11869 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.277 c1c(c(cc(c1F)F)F)C=O CM12013 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.277 c1c(c(cc(c1F)F)O)C=O CM11935 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.277 c1c(c(cc(c1F)O)F)C=O CM10227 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.277 c1c(c(cc(c1O)Br)F)C=O CM10066 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.280 CCc1cc(ccc1O)C=O CM10870 [1,1,0,0,0,0|0,0,2]=4 284 B11R1.280 COc1cc(ccc1F)CBr CM13412 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.280 COc1cc(ccc1F)CN CM13540 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.280 COc1cc(ccc1F)CO CM13410 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.280 COc1cc(ccc1O)CN CM10042 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.280 COc1ccc(c(c1)C=O)Cl CM11889 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.280 COc1ccc(c(c1)C=O)F CM11961 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.280 COc1ccc(c(c1)OC)F CM12239 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.280 Cc1ccc(cc1C=O)OC CM12000 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.280 c1cc(c(cc1C#N)C=O)F CM11915 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.280 c1cc(c(cc1C#N)C=O)O CM10229 [1,1,0,0,0,0|0,0,1]=3 294 B11R1.53 CC(=O)c1cccnc1OC CM10529 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.53 c1ccc(c(c1)C#N)C(=O)O CM12612 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.156 CC(=O)c1c(cccc1Cl)F CM11160 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.156 CC(=O)c1c(cccc1F)F CM11189 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.156 CC(=O)c1c(cccc1F)O CM11199 [1,1,0,0,0,0|0,0,0]=2 299 B11R1.156 CC(C)c1c(cccc1O)N CM10168 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.156 Cc1cccc(c1C(=O)Cl)F CM12764 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.156 Cc1cccc(c1C(=O)O)Br CM12533 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.156 Cc1cccc(c1C(=O)O)C CM12702 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.156 Cc1cccc(c1C(=O)O)Cl CM12593 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.156 Cc1cccc(c1C(=O)O)F CM12763 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.156 Cc1cccc(c1[N+](=O)[O-])O CM11792 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Br CM12637 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl CM12460 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F CM12491 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N CM12351 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F CM12660 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F CM13172 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F CM12659 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N CM12400 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O CM10856 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O CM11765 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.156 c1cc(c(c(c1)I)C(=O)Cl)F CM12737 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.156 c1cc(c(c(c1)I)C(=O)N)Cl CM13169 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F CM12736 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.159 CC(=O)c1cccc(c1Cl)Cl CM11179 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.159 CC(=O)c1cccc(c1F)Br CM11143 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.159 CC(=O)c1cccc(c1F)F CM10559 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.159 CC(=O)c1cccc(c1N)Br CM11120 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.159 CC(C)c1cccc(c1O)Cl CM10891 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.159 Cc1c(cccc1Cl)C(=O)O CM12594 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.159 Cc1c(cccc1I)C(=O)O CM12823 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.159 Cc1cccc(c1Br)C(=O)O CM12530 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.159 Cc1cccc(c1C)C(=O)Cl CM12700 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.159 Cc1cccc(c1F)C(=O)O CM12758 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.159 Cc1cccc(c1I)C(=O)O CM12822 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.159 c1cc(c(c(c1)Br)Br)C(=O)O CM12635 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)Cl CM12494 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O CM12493 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O CM12347 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O CM12512 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] CM11661 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.159 c1cc(c(c(c1)Cl)Br)C(=O)O CM10327 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O CM12640 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl CM12574 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O CM12573 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O CM12358 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O CM12584 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O CM12486 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O CM12572 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O CM12654 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O CM12738 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.159 c1cc(c(c(c1)F)N)C(=O)N CM13165 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O CM12394 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O CM12720 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O CM12731 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O CM12402 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O CM10231 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O CM12713 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O CM10894 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.166 CC(=O)c1ccc(cc1Br)N CM11122 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl CM11180 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.166 CC(=O)c1ccc(cc1Cl)F CM11158 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.166 CC(=O)c1ccc(cc1Cl)O CM11165 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.166 CC(=O)c1ccc(cc1F)Br CM11145 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.166 CC(=O)c1ccc(cc1F)Cl CM11163 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.166 CC(=O)c1ccc(cc1N)F CM10552 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.166 CC(=O)c1ccc(cc1O)Br CM14016 [1,1,0,0,0,0|0,0,0]=2 362 B11R1.166 CC(=O)c1ccc(cc1O)Cl CM14015 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.166 CC(=O)c1ccc(cc1O)F CM14014 [1,1,0,0,0,0|0,0,0]=2 364 B11R1.166 CC(=O)c1ccc(cc1O)N CM11128 [1,1,0,0,0,0|0,0,0]=2 365 B11R1.166 Cc1cc(ccc1C(=O)O)F CM12767 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CM10965 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O CM12591 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.166 Cc1ccc(c(c1)F)C(=O)O CM10021 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.166 Cc1ccc(c(c1)N)C(=O)O CM12428 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.166 c1cc(c(cc1Br)Br)C(=O)N CM13171 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O CM12636 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.166 c1cc(c(cc1Br)F)C(=O)O CM12499 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.166 c1cc(c(cc1Br)N)C(=O)O CM12349 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.166 c1cc(c(cc1Br)O)C(=O)O CM12513 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] CM11665 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O CM12458 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O CM12577 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N CM13164 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O CM12359 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O CM12585 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.166 c1cc(c(cc1F)Br)C(=O)O CM12488 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.166 c1cc(c(cc1F)F)C(=O)O CM12655 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.166 c1cc(c(cc1F)N)C(=O)O CM12396 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.166 c1cc(c(cc1F)O)C(=O)O CM10955 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] CM11775 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.166 c1cc(c(cc1I)F)C(=O)O CM12733 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CM12361 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.166 c1cc(c(cc1N)F)C(=O)O CM12405 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.166 c1cc(c(cc1O)I)C(=O)O CM10163 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] CM10296 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br CM11175 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.21 CC(=O)c1ccc(c(c1)Br)F CM11144 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl CM11181 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F CM11161 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.21 CC(=O)c1ccc(c(c1)F)Br CM11146 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl CM11164 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.21 CC(=O)c1ccc(c(c1)F)O CM11200 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl CM11123 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.21 CC(=O)c1ccc(c(c1)N)F CM11126 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl CM12596 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.21 Cc1cc(ccc1F)C(=O)C CM11205 [1,1,0,0,0,0|0,0,0]=2 402 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] CM13962 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] CM10138 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.21 Cc1cc(ccc1O)C(=O)O CM12806 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] CM11791 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.21 Cc1ccc(cc1Br)C(=O)O CM12535 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.21 Cc1ccc(cc1F)C(=O)O CM12766 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.21 Cc1ccc(cc1I)C(=O)Cl CM12824 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.21 c1cc(c(cc1C(=O)Cl)F)Cl CM12579 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br CM12638 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl CM12462 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.21 c1cc(c(cc1C(=O)O)Br)I CM12518 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br CM12465 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F CM12575 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.21 c1cc(c(cc1C(=O)O)F)Br CM12500 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl CM12578 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.21 c1cc(c(cc1C(=O)O)F)F CM12108 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.21 c1cc(c(cc1C(=O)O)F)I CM12739 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.21 c1cc(c(cc1C(=O)O)F)N CM12407 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.21 c1cc(c(cc1C(=O)O)F)O CM12721 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.21 c1cc(c(cc1C(=O)O)I)Br CM10859 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl CM10858 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.21 c1cc(c(cc1C(=O)O)I)F CM10861 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.21 c1cc(c(cc1C(=O)O)I)I CM10862 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.21 c1cc(c(cc1C(=O)O)I)N CM12419 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl CM12360 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.21 c1cc(c(cc1C(=O)O)N)N CM13996 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.21 c1cc(c(cc1C(=O)O)O)F CM12724 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.21 c1cc(c(cc1C(=O)O)O)I CM12805 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.21 c1cc(c(cc1C(=O)O)O)N CM12417 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.23 COC(=O)c1cccc(c1)I CM12817 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.23 COC(=O)c1cccc(c1)N CM12344 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.23 COC(=O)c1cccc(c1)O CM12802 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.23 c1cc(cc(c1)O)C(=O)CBr CM11149 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br CM11177 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl CM11182 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F CM11162 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.74 CC(=O)c1cc(cc(c1)F)F CM11190 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.74 Cc1cc(cc(c1)Br)[N+](=O)[O-] CM13938 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CM12703 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.74 Cc1cc(cc(c1)Cl)[N+](=O)[O-] CM13948 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.74 Cc1cc(cc(c1)F)[N+](=O)[O-] CM13965 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.74 Cc1cc(cc(c1)I)[N+](=O)[O-] CM13970 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.74 Cc1cc(cc(c1)N)C(=O)O CM12429 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.74 Cc1cc(cc(c1)[N+](=O)[O-])C CM12257 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.74 Cc1cc(cc(c1)[N+](=O)[O-])N CM11506 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.74 c1c(cc(cc1Br)I)C(=O)O CM12519 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O CM12463 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O CM12642 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O CM12587 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.74 c1c(cc(cc1F)Br)C(=O)O CM12495 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O CM12576 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl CM12665 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.74 c1c(cc(cc1F)F)C(=O)O CM12663 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] CM12662 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.74 c1c(cc(cc1F)I)C(=O)O CM12740 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.74 c1c(cc(cc1I)I)C(=O)O CM12694 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.74 c1c(cc(cc1N)F)C(=O)O CM12403 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.74 c1c(cc(cc1N)N)C(=O)O CM12634 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.74 c1c(cc(cc1O)Br)C(=O)O CM10203 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.74 c1c(cc(cc1O)I)C(=O)O CM10387 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.155 Cc1cccc(c1)S(=O)(=O)Cl CM12855 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.266 CC(=O)c1cccc(c1)C#N CM12899 [1,1,0,0,0,0|0,0,1]=3 465 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N CM12615 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.266 c1cc(cc(c1)C(=O)O)C#N CM12613 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.266 c1cc(nc(c1)C(=O)N)CO CM13854 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC CM10708 [0,1,0,0,1,0|2,0,0]=4 469 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Br CM11150 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])Cl CM11169 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.165 CC(=O)c1cc(ccc1[N+](=O)[O-])F CM11208 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.165 c1cc(c(cc1Cl)C(=O)O)C(=O)O CM13818 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.165 c1cc(c(cc1F)C(=O)O)C(=O)O CM13826 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.2209 COC(=O)c1cc(ccc1C#N)Cl CM12560 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.2209 COc1ccc(cc1C(=O)CBr)F CM11148 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.2279 COc1ccc(c(c1C(=O)O)F)F CM12677 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.2398 Cc1cc(c(cc1N)OC)[N+](=O)[O-] CM11598 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.651 CC(=O)c1cc(c(cc1N)F)OC CM11127 [0,2,0,0,0,0|1,0,0]=3 479 B13R1.651 COc1cc(c(cc1F)Br)C(=O)O CM12505 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.651 COc1cc(c(cc1N)F)C(=O)O CM12409 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.651 Cc1cc(c(cc1OC)C(=O)O)F CM12755 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.1807 COC(=O)c1cc(c(cc1Br)F)F CM12476 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.1807 COC(=O)c1cc(c(cc1F)F)F CM12878 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.1807 COC(=O)c1cc(c(cc1N)F)F CM12374 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F CM12502 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.1807 Cc1cc(c(cc1N)C)C(=O)OC CM12388 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.1807 Cc1cc(c(cc1O)C(=O)OC)F CM12727 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.446 CCOC(=O)c1cc(ccc1Br)I CM12514 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl CM12641 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.446 CCOC(=O)c1cc(ccc1F)O CM12715 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.1822 COC(=O)c1c(ccc(c1F)N)F CM12377 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.1822 COC(=O)c1c(ccc(c1O)F)F CM12675 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.2431 COC(=O)c1cc(ccc1F)C#N CM12624 [0,2,0,0,0,0|1,0,1]=4 494 B13R1.2431 COC(=O)c1cc(ccc1N)C#N CM12363 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.2431 COc1ccc(c(c1)C(=O)OC)N CM12422 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.2431 Cc1ccc(cc1C(=O)OC)OC CM12833 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.4789 Cc1cc(cc(c1F)C(=O)OC)F CM12682 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.13 CC(=O)c1cc(ccc1Cl)[N+](=O)[O-] CM11167 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.13 CC(=O)c1cc(ccc1F)[N+](=O)[O-] CM11113 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.437 COc1cc(c(c(c1)Br)N)C(=O)O CM12355 [0,2,0,0,0,0|2,0,0]=4 501 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [1,0,0,1,0,0|0,0,1]=3 502 B11R2.36 c1cc2c(cc1Br)CCO2 CM10336 [1,0,0,1,0,0|1,0,1]=4 503 B11R2.36 c1cc2c(cc1I)CCO2 CM10335 [1,0,0,1,0,0|1,0,1]=4 504 B11R2.36 c1cc2c(cc1N)CCO2 CM10334 [1,0,0,1,0,0|1,0,1]=4 505 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [1,0,0,1,0,0|1,0,1]=4 506 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [1,0,0,1,0,0|1,0,1]=4 507 B11R2.36 c1cc2c(cco2)cc1F CM10741 [1,0,0,1,0,0|1,0,1]=4 508 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [1,0,0,1,0,0|2,0,0]=4 509 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,1,0,0|2,0,0]=4 511 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,0,0,1,0,0|1,0,1]=4 512 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [1,0,0,1,0,0|2,0,0]=4 513 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [1,0,0,1,0,0|1,0,1]=4 514 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 CM10241 [0,0,0,1,0,1|1,0,0]=3 515 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 CM10219 [0,0,0,1,0,1|1,0,0]=3 516 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 CM10579 [0,0,0,1,0,1|1,0,0]=3 517 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 CM10572 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.162 c1c(cnc2c1C(=O)CCO2)Br CM10230 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.162 c1cc2c(cc1Br)C(=O)CCN2 CM10830 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.162 c1cc2c(cc1Cl)C(=O)CCC2 CM10570 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.162 c1cc2c(cc1I)C(=O)CCC2 CM10105 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.162 c1cc2c(cc1N)C(=O)CCC2 CM10784 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.162 c1cc2c(cc1O)C(=O)CCC2 CM10573 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 CM10077 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.2136 c1cc2c(cc1Br)c(co2)C=O CM10347 [0,1,0,1,0,0|1,0,1]=4 526 B13R2.3742 c1c(cc(c2c1C(=O)CO2)Cl)Cl CM10762 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [1,0,0,0,1,0|2,0,0]=4 528 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [1,0,0,0,0,1|1,0,0]=3 529 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [1,0,0,0,0,1|2,0,0]=4 530 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [1,0,0,0,0,1|2,0,0]=4