0 B7R1.1 c1c(nc[nH]1)C#N CM14071 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 c1c(nc[nH]1)C=O CM14068 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 c1c[nH]nc1CCl CM10174 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 c1cc([nH]c1)C=O CM13861 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.1 c1nnc(o1)CN CM10301 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 C1C=CCC1O CM14094 [1,0,0,0,0,0|1,0,2]=4 6 B6R1.2 Cc1cc[nH]n1 CM14373 [1,0,0,0,0,0|2,0,0]=3 7 B6R1.2 c1c(nc[nH]1)Br CM14070 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 c1c(ncs1)Br CM10700 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 c1c(scn1)Br CM10418 [1,0,0,0,0,0|2,1,0]=4 10 B6R1.2 c1c(scn1)I CM10701 [1,0,0,0,0,0|2,1,0]=4 11 B6R1.2 c1ccn(c1)N CM14097 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 c1co[nH]c1=O CM10160 [1,0,0,0,0,0|2,0,1]=4 13 B6R1.2 c1conc1N CM10019 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.1 c1c(nc(o1)Cl)CBr CM10353 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.7 B(c1cccs1)(O)O CM13586 [0,1,0,0,0,0|1,1,0]=3 16 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.11 c1csc(c1CO)Br CM10090 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 COc1cccnc1 CM10357 [0,0,0,0,0,1|3,0,0]=4 20 B5R0.2 C(C=CCCl)O CM14462 [1,0,1,0,0,0|1,0,1]=4 21 B7R1.2 C1=CC(=O)OC1O CM11011 [1,1,0,0,0,0|0,0,1]=3 22 B7R1.2 Cc1cc(on1)C CM14486 [1,1,0,0,0,0|1,0,0]=3 23 B7R1.2 Cc1ncc(s1)I CM10702 [1,1,0,0,0,0|1,1,0]=4 24 B7R1.2 Cn1cc(cn1)Br CM14274 [1,1,0,0,0,0|2,0,0]=4 25 B7R1.2 Cn1ccc(n1)I CM10441 [1,1,0,0,0,0|2,0,0]=4 26 B7R1.4 Cc1cscc1Br CM10703 [1,1,0,0,0,0|2,0,0]=4 27 B7R1.4 c1csc(c1Br)Cl CM10917 [1,1,0,0,0,0|1,1,0]=4 28 B9R1.1 CCc1ccc(cc1)F CM10050 [0,1,0,0,0,1|2,0,0]=4 29 B9R1.1 CCc1ccc(cn1)Br CM10444 [0,1,0,0,0,1|2,0,0]=4 30 B9R1.1 CCc1ncc(cn1)Br CM10686 [0,1,0,0,0,1|2,0,0]=4 31 B9R1.1 c1cc(ccc1CCl)F CM13407 [0,1,0,0,0,1|2,0,0]=4 32 B9R1.1 c1cc(ccc1CO)F CM13405 [0,1,0,0,0,1|1,0,0]=3 33 B9R1.1 c1cc(ccc1CO)N CM13264 [0,1,0,0,0,1|1,0,0]=3 34 B9R1.2 CCc1cccc(c1)Br CM12087 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.2 CCc1cccc(c1)N CM11452 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.2 Cc1cccc(c1)CF CM13445 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [0,1,0,0,0,1|2,0,0]=4 38 B9R1.2 c1cc(cc(c1)I)CN CM10968 [0,1,0,0,0,1|2,0,0]=4 39 B9R1.2 c1cnc(cc1CO)N CM14035 [0,1,0,0,0,1|1,0,0]=3 40 B9R1.6 B(c1ccncc1)(O)O CM10013 [0,1,0,0,0,1|2,0,0]=4 41 B9R1.6 c1cncnc1C(=O)O CM10263 [0,1,0,0,0,1|1,0,1]=4 42 B9R1.8 c1ccc(cc1)CNN CM14002 [0,1,0,0,0,1|2,0,0]=4 43 B9R1.8 c1ccc(cc1)CNO CM10002 [0,1,0,0,0,1|1,0,0]=3 44 B9R1.15 CCc1c(cccn1)Br CM10670 [0,1,0,0,0,1|2,0,0]=4 45 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [0,1,0,0,0,1|2,0,0]=4 46 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [0,1,0,0,0,1|2,0,0]=4 47 B9R1.15 c1ccc(c(c1)CN)F CM13538 [0,1,0,0,0,1|2,0,0]=4