0 B11R1.24 c1cc(cc(c1)Cl)OCCBr CM12085 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.10 c1cc(cc(c1)Br)CC#N CM13649 [1,0,0,0,0,0|0,1,2]=4 2 B10R1.10 c1cc(cc(c1)F)CC#N CM13701 [1,0,0,0,0,0|0,0,2]=3 3 B10R1.10 c1cc(cc(c1)F)CCN CM13556 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.10 c1cc(cc(c1)N)CC#N CM13646 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.10 c1cc(cc(c1)N)CCO CM10010 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.10 c1cc(cc(c1)O)CNN CM14001 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.50 COC(=O)Cc1cccc(c1)F CM13702 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.50 COC(=O)Cc1cccc(c1)N CM13647 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.24 c1cc2c(cc1Br)CCOC2 CM10629 [0,0,0,1,0,0|1,1,0]=3 11 B12R2.24 c1cc2c(cc1F)CCCN2 CM10632 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.203 Cc1c2c(cccc2F)[nH]n1 CM10794 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.612 Cc1c2ccc(cc2[nH]n1)F CM10796 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.612 Cn1c2ccc(cc2cn1)Br CM10482 [0,0,0,1,0,0|1,1,1]=4 15 B12R2.612 Cn1c2ccc(cc2nn1)Br CM10633 [0,0,0,1,0,0|2,1,0]=4 16 B12R2.612 Cn1cnc2c1ccc(c2)Br CM10910 [0,0,0,1,0,0|1,1,1]=4 17 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,0,0,1,0,0|2,1,0]=4 18 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 CM10581 [0,0,0,1,0,0|2,1,0]=4 20 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 CM10361 [0,0,0,1,0,0|2,1,0]=4 21 B12R2.1081 c1cc2c(c(c1)Cl)NCCC2 CM10630 [0,0,0,1,0,0|2,1,0]=4 22 B9R1.2 CCc1cccc(c1)Br CM12087 [2,0,0,0,0,0|0,1,0]=3 23 B9R1.2 CCc1cccc(c1)N CM11452 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.2 CNc1cccc(c1)O CM10115 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.2 Cc1cccc(c1)CF CM13445 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 c1cc(cc(c1)F)C#N CM13067 [2,0,0,0,0,0|0,0,2]=4 27 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [2,0,0,0,0,0|1,1,0]=4 28 B9R1.2 c1cc(cc(c1)I)CN CM10968 [2,0,0,0,0,0|0,1,0]=3 29 B9R1.8 c1ccc(cc1)CNN CM14002 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.8 c1ccc(cc1)CNO CM10002 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.34 c1c(cc(cc1F)Cl)CC#N CM13668 [1,1,0,0,0,0|0,0,2]=4 33 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.189 CCOc1cccc(c1)C=O CM11945 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.192 CCOc1ccc(c(c1)N)N CM11707 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.192 COCc1ccc(c(c1)F)Br CM13295 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.192 c1cc(c(cc1CC#N)F)Br CM13657 [1,1,0,0,0,0|0,0,2]=4 38 B11R1.192 c1cc(c(cc1CC#N)F)Cl CM13674 [1,1,0,0,0,0|0,0,2]=4 39 B11R1.192 c1cc(c(cc1CC#N)F)F CM13692 [1,1,0,0,0,0|0,0,2]=4 40 B11R1.28 c1ccc(cc1)CNCC#N CM10278 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.91 CC(=O)COc1ccccc1 CM11227 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.15 COC(=O)CCc1cccc(c1)Br CM13748 [0,2,0,0,0,0|1,1,0]=4 43 B13R1.149 CN(C)CCOc1cc(cnc1)Br CM10895 [0,2,0,0,0,0|1,1,0]=4 44 B11R2.35 c1c(cncc1Br)C2CC2 CM10133 [1,0,0,1,0,0|1,1,0]=4 45 B11R2.35 c1cc(nc(c1)Br)C2CC2 CM10128 [1,0,0,1,0,0|1,1,0]=4 46 B11R2.36 c1cc2c(cc1Br)CCO2 CM10336 [1,0,0,1,0,0|1,1,0]=4 47 B11R2.36 c1cc2c(cc1Br)CNC2 CM10600 [1,0,0,1,0,0|0,1,0]=3 48 B11R2.36 c1cc2c(cc1Br)OCC2 CM10763 [1,0,0,1,0,0|1,1,0]=4 49 B11R2.36 c1cc2c(cc1Cl)CNC2 CM10601 [1,0,0,1,0,0|0,1,0]=3 50 B11R2.36 c1cc2c(cc1I)CCO2 CM10335 [1,0,0,1,0,0|1,1,0]=4 51 B11R2.36 c1cc2c(cc1N)CCO2 CM10334 [1,0,0,1,0,0|2,0,0]=4 52 B11R2.36 c1cc2c(cc1N)CNC2 CM10305 [1,0,0,1,0,0|1,0,0]=3 53 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [1,0,0,1,0,0|0,0,2]=4 54 B11R2.106 c1cc2c(c(c1)Br)CCN2 CM10331 [1,0,0,1,0,0|1,1,0]=4 55 B11R2.106 c1cc2c(c(c1)F)CCN2 CM13605 [1,0,0,1,0,0|1,0,0]=3 56 B11R2.106 c1cc2cc[nH]c2c(c1)F CM13609 [1,0,0,1,0,0|0,0,2]=4 57 B11R2.1 Cn1c2ccccc2nn1 CM11059 [1,0,0,1,0,0|2,0,0]=4 58 B13R2.162 c1cc2c(c(c1)O)CC(=O)CC2 CM10046 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.3683 c1cc2c(cc1F)CCC(=O)N2 CM10631 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 CM10077 [0,1,0,1,0,0|2,0,0]=4