0 B8R1.7 B(c1cccs1)(O)O CM13586 [0,0,0,0,0,0|2,1,1]=4 1 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 c1c(nc[nH]1)C=O CM14068 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.1 c1cc([nH]c1)C=O CM13861 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.35 Cn1cc(nc1)C(=O)O CM14072 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(=O)OC=CCBr CM11056 [0,0,1,0,0,0|2,0,1]=4 8 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [0,0,0,0,0,1|3,0,0]=4 9 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,0,0,0,0,1|3,0,0]=4 10 B9R1.6 c1cncnc1C(=O)O CM10263 [0,0,0,0,0,1|2,0,0]=3 11 B6R0.4 CC(=O)C=COC CM11079 [1,0,1,0,0,0|1,0,1]=4 12 B6R1.2 Cc1cc[nH]n1 CM14373 [2,0,0,0,0,0|2,0,0]=4 13 B6R1.2 c1co[nH]c1=O CM10160 [2,0,0,0,0,0|2,0,0]=4 14 B8R1.11 c1csc(c1C=O)Br CM10421 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [0,1,0,0,0,1|2,0,0]=4 16 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [0,1,0,0,0,1|1,0,0]=3 17 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [0,1,0,0,0,1|1,0,0]=3 18 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [0,1,0,0,0,1|1,0,0]=3 19 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [0,1,0,0,0,1|1,0,0]=3 20 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [0,1,0,0,0,1|1,0,0]=3 21 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [0,1,0,0,0,1|2,0,0]=4 22 B10R1.13 c1c(cnc(n1)C(=O)O)Br CM14286 [0,1,0,0,0,1|2,0,0]=4 23 B10R1.13 c1c(cnc(n1)C(=O)O)Cl CM14287 [0,1,0,0,0,1|2,0,0]=4 24 B10R1.13 c1cc(ccc1C(=O)Cl)Br CM12451 [0,1,0,0,0,1|2,0,0]=4 25 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [0,1,0,0,0,1|2,0,0]=4 26 B10R1.13 c1cc(ccc1C(=O)Cl)I CM12820 [0,1,0,0,0,1|2,0,0]=4 27 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [0,1,0,0,0,1|2,0,0]=4 28 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [0,1,0,0,0,1|2,0,0]=4 29 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [0,1,0,0,0,1|2,0,0]=4 33 B10R1.15 COC(=O)c1cccnc1 CM10959 [0,1,0,0,0,1|1,0,0]=3 34 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [0,1,0,0,0,1|1,0,0]=3 35 B10R1.61 CC(=O)c1ccccc1Br CM11134 [0,1,0,0,0,1|1,0,0]=3 36 B10R1.61 CC(=O)c1ccccc1I CM11218 [0,1,0,0,0,1|1,0,0]=3 37 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [0,1,0,0,0,1|1,0,0]=3 42 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [0,1,0,0,0,1|1,0,0]=3 44 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [0,1,0,0,0,1|1,0,0]=3 45 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.113 c1cnc(cc1C(=O)O)N CM14043 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.113 c1cnc(nc1C(=O)O)N CM14051 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.11 CCOC(=O)c1c[nH]cn1 CM14066 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.11 CCOC(=O)c1ccco1 CM10969 [0,2,0,0,0,0|0,0,0]=2 58 B10R1.14 COC(=O)c1cc(sc1)Br CM10537 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.4 Cc1cccc(n1)Br CM14044 [0,0,1,1,0,0|2,0,0]=4 60 B8R1.4 c1cc(cc(c1)F)O CM11748 [0,0,1,1,0,0|1,0,1]=4 61 B8R1.4 c1cc(nc(c1)Br)O CM10270 [0,0,1,1,0,0|2,0,0]=4 62 B8R1.5 Cc1c(cccn1)N CM14488 [0,0,1,1,0,0|2,0,0]=4 63 B8R1.2 COc1cccnc1 CM10357 [1,0,0,0,0,1|2,0,0]=4