0 B10R1.61 CC(=O)c1ccccc1Br CM11134 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)c1ccccc1I CM11218 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] CM14024 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.6 c1cncnc1C(=O)O CM10263 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 CCc1c(cccn1)Br CM10670 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 COc1c(nccn1)N CM10653 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 COc1cccnc1Br CM14120 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 COc1cccnc1N CM10903 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 Cc1ccncc1C=O CM10260 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.53 CC(=O)c1cccnc1OC CM10529 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.53 COc1c(nccn1)C(=O)O CM10657 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.156 CC(=O)c1c(cccc1Cl)F CM11160 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.156 CC(=O)c1c(cccc1F)F CM11189 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.156 CC(=O)c1c(cccc1F)O CM11199 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.156 Cc1cccc(c1C(=O)Cl)F CM12764 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.156 Cc1cccc(c1C(=O)O)Br CM12533 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.156 Cc1cccc(c1C(=O)O)C CM12702 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.156 Cc1cccc(c1C(=O)O)Cl CM12593 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.156 Cc1cccc(c1C(=O)O)F CM12763 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.159 CC(=O)c1cccc(c1Cl)Cl CM11179 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.159 CC(=O)c1cccc(c1F)Br CM11143 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.159 CC(=O)c1cccc(c1F)F CM10559 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.159 CC(=O)c1cccc(c1N)Br CM11120 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.159 Cc1c(cccc1Cl)C(=O)O CM12594 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.159 Cc1c(cccc1I)C(=O)O CM12823 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.159 Cc1cccc(c1C)C(=O)Cl CM12700 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O CM10274 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.166 CC(=O)c1ccc(cc1Br)N CM11122 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl CM11180 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.166 CC(=O)c1ccc(cc1Cl)F CM11158 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.166 CC(=O)c1ccc(cc1Cl)O CM11165 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.166 CC(=O)c1ccc(cc1F)Br CM11145 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.166 CC(=O)c1ccc(cc1F)Cl CM11163 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.166 CC(=O)c1ccc(cc1N)F CM10552 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.166 CC(=O)c1ccc(cc1O)Br CM14016 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.166 CC(=O)c1ccc(cc1O)Cl CM14015 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.166 CC(=O)c1ccc(cc1O)F CM14014 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.166 CC(=O)c1ccc(cc1O)N CM11128 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.166 Cc1c(ccc(n1)Cl)[N+](=O)[O-] CM14118 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.166 Cc1cc(ccc1C(=O)O)F CM12767 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CM10965 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.166 Cc1ccc(c(n1)C)[N+](=O)[O-] CM14042 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl CM10151 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.167 CC(=O)c1cc(ccc1Br)F CM10079 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.167 CC(=O)c1cc(ccc1Cl)F CM11159 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.167 CC(=O)c1cc(ccc1F)Br CM11147 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.167 CC(=O)c1cc(ccc1I)F CM11201 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.167 CC(=O)c1cc(ccc1O)Br CM14330 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CM12701 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.167 Cc1ccc(cc1C(=O)O)Br CM12537 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.167 Cc1ccc(cc1C(=O)O)F CM10930 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.167 Cc1ccc(cc1C(=O)O)I CM12825 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.167 Cc1ccc(cc1C(=O)O)N CM12431 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.167 Cc1ccc(cc1C(=O)O)O CM10889 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Br CM14100 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl CM14027 [0,1,0,0,0,0|3,0,0]=4 61 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,0,0,1,0,0|3,0,0]=4 62 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 Cc1c(cccn1)N CM14488 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 Cc1cccnc1Cl CM13849 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 c1cnc(c(n1)N)Br CM10652 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 c1cnc(c(n1)N)O CM10654 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.15 COC(=O)c1cccnc1 CM10959 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.2 Cc1c(cccc1Cl)C=O CM11895 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.2 Cc1c(cccc1F)C=O CM11971 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.2 Cc1c(ccnc1C=O)Br CM10400 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.20 CNc1c(cccn1)CO CM14403 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.25 Cc1cc(ccc1C=O)F CM11974 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.25 Cc1cc(ccc1C=O)O CM11992 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.25 c1cc(nc(c1C=O)Br)Br CM10104 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.30 COc1c(ncc(n1)Br)Br CM10345 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.30 COc1c(ncc(n1)Br)N CM10344 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.30 Cc1ccc(cc1C=O)Br CM11858 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.30 Cc1ccc(cc1C=O)F CM11975 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.245 Cc1cccc(c1C=O)C CM11940 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.245 Cc1cccc(c1C=O)O CM10373 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.245 c1cnc(c(c1Cl)C=O)Cl CM10668 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.245 c1cnc(c(c1I)C=O)Cl CM10358 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.57 COc1c(ccc(n1)F)C(=O)O CM10675 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.77 COC(=O)c1ccccc1CBr CM12526 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.437 CC(=O)c1c(cccc1OC)O CM11215 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.3441 Cc1cccc(c1C(=O)OC)Br CM12532 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.3441 Cc1cccc(c1C(=O)OC)F CM12762 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.24 Cc1c(cccc1Br)C(=O)OC CM12534 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.24 Cc1c(cccc1N)C(=O)OC CM12427 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)Cl CM10143 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.354 Cc1ccc(cc1C(=O)OC)Br CM12536 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.354 Cc1ccc(cc1C(=O)OC)F CM12768 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.354 Cc1ccc(cc1C(=O)OC)I CM12826 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.354 Cc1ccc(cc1C(=O)OC)O CM12807 [0,2,0,0,0,0|2,0,0]=4 116 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.196 c1cc2c(c(c1)Br)CCC2=O CM10103 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O CM10362 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.196 c1cc2c(c(c1)F)CCC2=O CM10386 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 CM14374 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [1,0,0,0,1,0|1,0,1]=4 126 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.11 c1csc(c1C=O)Br CM10421 [1,0,0,0,1,0|2,0,0]=4