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|3,0,1]=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|2,0,1]=3 4 B7R1.1 c1nnc(o1)CN CM10301 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 Cc1cc[nH]n1 CM14373 [1,0,0,0,0,0|2,0,0]=3 6 B6R1.2 c1c(nc[nH]1)Br CM14070 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.2 c1c(ncs1)Br CM10700 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 c1c(scn1)Br CM10418 [1,0,0,0,0,0|2,1,0]=4 9 B6R1.2 c1c(scn1)I CM10701 [1,0,0,0,0,0|2,1,0]=4 10 B6R1.2 c1ccn(c1)N CM14097 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 c1co[nH]c1=O CM10160 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 c1conc1N CM10019 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.1 c1c(nc(o1)Cl)CBr CM10353 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.7 B(c1cccs1)(O)O CM13586 [0,1,0,0,0,0|2,1,0]=4 15 B8R1.11 c1csc(c1CO)Br CM10090 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.2 COc1cccnc1 CM10357 [0,0,0,0,0,1|2,0,0]=3 17 B5R0.2 C(C=CCCl)O CM14462 [1,0,1,0,0,0|1,0,1]=4 18 B7R1.2 C1=CC(=O)OC1O CM11011 [1,1,0,0,0,0|1,0,1]=4 19 B7R1.2 Cc1cc(on1)C CM14486 [1,1,0,0,0,0|1,0,0]=3 20 B7R1.2 Cc1ncc(s1)I CM10702 [1,1,0,0,0,0|1,1,0]=4 21 B7R1.2 Cn1cc(cn1)Br CM14274 [1,1,0,0,0,0|2,0,0]=4 22 B7R1.2 Cn1ccc(n1)I CM10441 [1,1,0,0,0,0|2,0,0]=4 23 B7R1.4 Cc1cscc1Br CM10703 [1,1,0,0,0,0|2,0,0]=4 24 B7R1.4 c1csc(c1Br)Cl CM10917 [1,1,0,0,0,0|1,1,0]=4 25 B9R1.1 CCc1ccc(cc1)F CM10050 [0,1,0,0,0,1|1,0,0]=3 26 B9R1.1 CCc1ccc(cn1)Br CM10444 [0,1,0,0,0,1|1,0,0]=3 27 B9R1.1 CCc1ncc(cn1)Br CM10686 [0,1,0,0,0,1|1,0,0]=3 28 B9R1.1 CNc1ccc(cc1)I CM11495 [0,1,0,0,0,1|2,0,0]=4 29 B9R1.1 COc1ccc(cc1)F CM11749 [0,1,0,0,0,1|2,0,0]=4 30 B9R1.1 COc1ccc(nc1)Br CM10454 [0,1,0,0,0,1|2,0,0]=4 31 B9R1.1 COc1ncc(cn1)Br CM14291 [0,1,0,0,0,1|2,0,0]=4 32 B9R1.1 c1cc(ccc1CCl)F CM13407 [0,1,0,0,0,1|2,0,0]=4 33 B9R1.1 c1cc(ccc1CO)F CM13405 [0,1,0,0,0,1|2,0,0]=4 34 B9R1.1 c1cc(ccc1CO)N CM13264 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.2 CCc1cccc(c1)Br CM12087 [0,1,0,0,0,1|1,0,0]=3 36 B9R1.2 CCc1cccc(c1)N CM11452 [0,1,0,0,0,1|1,0,0]=3 37 B9R1.2 CNc1cccc(c1)O CM10115 [0,1,0,0,0,1|2,0,0]=4 38 B9R1.2 COc1cc(ccn1)Br CM10671 [0,1,0,0,0,1|2,0,0]=4 39 B9R1.2 COc1cc(ncn1)Br CM10842 [0,1,0,0,0,1|2,0,0]=4 40 B9R1.2 COc1cc(ncn1)I CM10843 [0,1,0,0,0,1|2,0,0]=4 41 B9R1.2 COc1cc(ncn1)N CM10847 [0,1,0,0,0,1|2,0,0]=4 42 B9R1.2 COc1ccnc(n1)Br CM10844 [0,1,0,0,0,1|2,0,0]=4 43 B9R1.2 COc1ccnc(n1)N CM10846 [0,1,0,0,0,1|2,0,0]=4 44 B9R1.2 COc1nccc(n1)N CM10845 [0,1,0,0,0,1|2,0,0]=4 45 B9R1.2 CSc1cccc(n1)Br CM10114 [0,1,0,0,0,1|2,0,0]=4 46 B9R1.2 Cc1cccc(c1)CF CM13445 [0,1,0,0,0,1|2,0,0]=4 47 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [0,1,0,0,0,1|2,0,0]=4 48 B9R1.2 c1cc(cc(c1)I)CN CM10968 [0,1,0,0,0,1|2,0,0]=4 49 B9R1.2 c1cnc(cc1CO)N CM14035 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.8 c1ccc(cc1)CNN CM14002 [0,1,0,0,0,1|2,0,0]=4 51 B9R1.8 c1ccc(cc1)CNO CM10002 [0,1,0,0,0,1|2,0,0]=4 52 B9R1.15 CCc1c(cccn1)Br CM10670 [0,1,0,0,0,1|1,0,0]=3 53 B9R1.15 CNc1ccncc1N CM14025 [0,1,0,0,0,1|2,0,0]=4 54 B9R1.15 COc1c(nccn1)N CM10653 [0,1,0,0,0,1|2,0,0]=4 55 B9R1.15 COc1cccnc1Br CM14120 [0,1,0,0,0,1|2,0,0]=4 56 B9R1.15 COc1cccnc1N CM10903 [0,1,0,0,0,1|2,0,0]=4 57 B9R1.15 COc1cnccc1N CM10329 [0,1,0,0,0,1|2,0,0]=4 58 B9R1.15 CSc1ccccc1I CM11822 [0,1,0,0,0,1|2,0,0]=4 59 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [0,1,0,0,0,1|2,0,0]=4 60 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.15 c1ccc(c(c1)CN)F CM13538 [0,1,0,0,0,1|2,0,0]=4