0 B9R1.6 CN(C)c1cncnc1 CM10165 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 c1cncnc1C(=O)O CM10263 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 COc1cccnc1 CM10357 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 c1c(cnc(n1)C(=O)O)Br CM14286 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.13 c1c(cnc(n1)C(=O)O)Cl CM14287 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.13 c1c(cnc(n1)Cl)C(=O)O CM14062 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.13 c1cc(ccc1C(=O)Cl)Br CM12451 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.13 c1cc(ccc1C(=O)Cl)I CM12820 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] CM11102 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] CM10446 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl CM13851 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.15 COC(=O)c1cccnc1 CM10959 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.61 CC(=O)c1ccccc1Br CM11134 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.61 CC(=O)c1ccccc1I CM11218 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] CM14024 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.113 CC(C)c1cccc(n1)Br CM13845 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.113 CN(C)c1cc(ccn1)Br CM10673 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.113 CN(C)c1cccc(n1)Br CM10139 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.113 c1cnc(nc1C(=O)O)N CM14051 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [0,0,0,0,1,0|1,0,1]=3 54 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [0,0,0,0,1,0|2,0,0]=3 55 B7R1.3 c1cc(cnc1)F CM13853 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.3 c1ccnc(c1)Cl CM13847 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 C=Cc1ccc(nc1)Br CM10147 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.1 CCc1ccc(cn1)Br CM10444 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.1 COc1ccc(nc1)Br CM10454 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.1 c1c(cnc(n1)N)C=O CM10089 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.1 c1cc(ccc1C=O)F CM11946 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.1 c1cc(ccc1C=O)I CM11996 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.1 c1cc(ncc1C=O)Br CM13843 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.2 COc1cc(ccn1)Br CM10671 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.2 CSc1cccc(n1)Br CM10114 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.15 CCc1c(cccn1)Br CM10670 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.15 COc1c(nccn1)N CM10653 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.15 COc1cccnc1Br CM14120 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.15 COc1cccnc1N CM10903 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.15 COc1cnccc1N CM10329 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.15 Cc1ccncc1C=O CM10260 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.35 Cn1cc(nc1)C(=O)O CM14072 [0,1,0,0,1,0|1,0,1]=4 74 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [0,1,0,0,1,0|1,0,1]=4 75 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.3 CCc1ccc(nc1)C(=O)O CM10503 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br CM11175 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.21 CC(=O)c1ccc(c(c1)Br)F CM11144 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl CM11181 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F CM11161 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.21 CC(=O)c1ccc(c(c1)F)Br CM11146 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl CM11164 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.21 CC(=O)c1ccc(c(c1)F)O CM11200 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl CM11123 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.21 CC(=O)c1ccc(c(c1)N)F CM11126 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.21 Cc1cc(ccc1F)C(=O)C CM11205 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O CM14315 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.22 COC(=O)c1ccc(cc1)N CM12345 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.22 COC(=O)c1cnc(cn1)O CM14417 [0,2,0,0,0,0|0,0,0]=2 94 B11R1.22 COC(=O)c1cnc(nc1)Br CM10434 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.22 COC(=O)c1cnc(nc1)Cl CM14061 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.22 COC(=O)c1cnc(nc1)N CM10696 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.22 c1cc(ccc1C(=O)CBr)Br CM11176 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.166 CC(=O)c1ccc(cc1Br)N CM11122 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl CM11180 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.166 CC(=O)c1ccc(cc1Cl)F CM11158 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.166 CC(=O)c1ccc(cc1Cl)O CM11165 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.166 CC(=O)c1ccc(cc1F)Br CM11145 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.166 CC(=O)c1ccc(cc1F)Cl CM11163 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.166 CC(=O)c1ccc(cc1N)F CM10552 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.166 CC(=O)c1ccc(cc1O)Br CM14016 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.166 CC(=O)c1ccc(cc1O)Cl CM14015 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.166 CC(=O)c1ccc(cc1O)F CM14014 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.166 CC(=O)c1ccc(cc1O)N CM11128 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl CM10151 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.16 CCOC(=O)c1cccnc1 CM10029 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.23 COC(=O)c1cccc(c1)I CM12817 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.23 COC(=O)c1cccc(c1)N CM12344 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.23 COC(=O)c1cccc(c1)O CM12802 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.23 COC(=O)c1cncc(n1)Br CM10424 [0,2,0,0,0,0|0,0,0]=2 119 B11R1.23 COC(=O)c1cncc(n1)Cl CM10425 [0,2,0,0,0,0|0,0,0]=2 120 B11R1.23 c1cc(cc(c1)O)C(=O)CBr CM11149 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.155 CS(=O)(=O)c1cccc(n1)Br CM10122 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.53 CC(=O)c1cccnc1OC CM10529 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.53 COc1c(nccn1)C(=O)O CM10657 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.156 CC(=O)c1c(cccc1Cl)F CM11160 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.156 CC(=O)c1c(cccc1F)F CM11189 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.156 CC(=O)c1c(cccc1F)O CM11199 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.159 CC(=O)c1cccc(c1Cl)Cl CM11179 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.159 CC(=O)c1cccc(c1F)Br CM11143 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.159 CC(=O)c1cccc(c1F)F CM10559 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.159 CC(=O)c1cccc(c1N)Br CM11120 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O CM10274 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.167 CC(=O)c1cc(ccc1Br)F CM10079 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.167 CC(=O)c1cc(ccc1Cl)F CM11159 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.167 CC(=O)c1cc(ccc1F)Br CM11147 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.167 CC(=O)c1cc(ccc1I)F CM11201 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.167 CC(=O)c1cc(ccc1O)Br CM14330 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Br CM14100 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl CM14027 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br CM11177 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl CM11182 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F CM11162 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.74 CC(=O)c1cc(cc(c1)F)F CM11190 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.266 CC(=O)c1cccc(c1)C#N CM12899 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.266 COc1cncc(n1)C(=O)O CM10660 [0,2,0,0,0,0|1,0,0]=3 145 B11R1.266 c1cc(nc(c1)C(=O)N)CO CM13854 [0,2,0,0,0,0|2,0,0]=4 146 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.1 c1c(nc[nH]1)C=O CM14068 [1,0,0,0,1,0|0,0,1]=3 148 B7R1.1 c1cc([nH]c1)C=O CM13861 [1,0,0,0,1,0|0,0,1]=3 149 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,0,0,0,0,2|2,0,0]=4