0 B8R1.1 c1c(nc(o1)Cl)CBr CM10353 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 c1c[nH]nc1CCl CM10174 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.1 c1cc([nH]c1)C=O CM13861 [1,0,0,0,0,0|1,0,2]=4 3 B7R1.1 c1nnc(o1)CN CM10301 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.2 C1=CC(=O)OC1O CM11011 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.2 Cc1cc(on1)C CM14486 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.2 Cc1ncc(s1)I CM10702 [1,0,0,0,0,0|2,1,0]=4 7 B7R1.2 Cn1ccc(n1)I CM10441 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.4 CC(=O)OC=CCBr CM11056 [0,0,1,0,0,0|2,0,1]=4 10 B9R1.1 CCc1ccc(cc1)F CM10050 [0,0,0,0,0,1|3,0,0]=4 11 B9R1.1 CCc1ccc(cn1)Br CM10444 [0,0,0,0,0,1|3,0,0]=4 12 B9R1.1 Cc1ccc(nc1)C#N CM10108 [0,0,0,0,0,1|2,0,1]=4 13 B9R1.1 c1cc(ccc1CCl)F CM13407 [0,0,0,0,0,1|3,0,0]=4 14 B9R1.1 c1cc(ccc1CO)F CM13405 [0,0,0,0,0,1|2,0,0]=3 15 B9R1.1 c1cc(ccc1CO)N CM13264 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.2 CCc1cccc(c1)Br CM12087 [0,0,0,0,0,1|3,0,0]=4 17 B9R1.2 CCc1cccc(c1)N CM11452 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.2 Cc1cccc(c1)CF CM13445 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [0,0,0,0,0,1|3,0,0]=4 20 B9R1.2 c1cc(cc(c1)I)CN CM10968 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.2 c1cnc(cc1CO)N CM14035 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.4 CC(=O)C=COC CM11079 [1,0,1,0,0,0|1,0,1]=4 23 B6R1.2 Cc1cc[nH]n1 CM14373 [2,0,0,0,0,0|2,0,0]=4 24 B8R1.7 B(c1cccs1)(O)O CM13586 [1,1,0,0,0,0|1,1,0]=4 25 B8R1.11 c1csc(c1CO)Br CM10090 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.1 Cc1ccc(cc1)CC#N CM13728 [0,1,0,0,0,1|2,0,0]=4 27 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [0,1,0,0,0,1|2,0,0]=4 28 B10R1.1 c1cc(ccc1CCO)F CM13508 [0,1,0,0,0,1|2,0,0]=4 29 B10R1.1 c1cc(ccc1CCO)O CM10966 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.3 CSc1ccc(cc1)CN CM13545 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.3 c1cc(ccc1CO)CBr CM13301 [0,1,0,0,0,1|1,0,0]=3 32 B10R1.25 Cc1cc(ccc1CO)Br CM13303 [0,1,0,0,0,1|2,0,0]=4 33 B10R1.25 c1cc(c(cc1Br)Br)CO CM13345 [0,1,0,0,0,1|2,0,0]=4 34 B10R1.25 c1cc(c(cc1Br)O)CO CM13296 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.25 c1cc(c(cc1F)F)CO CM13356 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.176 Cc1ccc(cc1Cl)CN CM13525 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.176 c1cc(c(cc1CO)F)F CM13379 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.176 c1cc(c(cc1CO)O)I CM13433 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.2 Cc1cccc(c1C)CBr CM13401 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.2 c1cc(c(c(c1)Cl)Br)CO CM10340 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.2 c1cc(c(c(c1)F)Br)CO CM13276 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.8 Cc1cc(cc(c1)N)CO CM13266 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.8 c1c(cc(cc1F)Br)CO CM13291 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.8 c1c(cc(cc1F)F)CO CM13504 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.10 c1cc(cc(c1)N)CCO CM10010 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.30 c1cc(c(cc1Br)CO)Cl CM13270 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.30 c1cc(c(cc1F)CO)Br CM13279 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.30 c1cc(c(cc1I)CO)Br CM13297 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.30 c1cc(c(cc1N)CO)Cl CM13265 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.113 CC(c1cccc(c1)F)O CM13506 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [0,1,0,0,0,1|1,0,1]=4 53 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [0,1,0,0,0,1|1,0,1]=4 54 B10R1.172 COc1cccc(c1)CCl CM10947 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.172 COc1ccnc(c1)CN CM10131 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.172 c1cc(nc(c1)CCl)CCl CM14033 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.172 c1cc(nc(c1)CO)CO CM14032 [0,1,0,0,0,1|1,0,0]=3