0 B9R1.8 c1ccc(cc1)CNN CM14002 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.8 c1ccc(cc1)CNO CM10002 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.1 c1cc(ccc1CN=C=O)F CM13788 [0,1,0,0,0,0|1,0,2]=4 3 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,1,0,0,0,0|1,0,1]=3 4 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,0,0,1,0,0|3,0,0]=4 5 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,0,0,1,0,0|1,0,1]=3 6 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,0,0,1,0,0|2,0,0]=3 7 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,0,0,1,0,0|2,0,0]=3 8 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,0,0,1,0,0|2,0,1]=4 11 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [0,0,0,1,0,0|2,0,0]=3 12 B11R2.20 c1ccc2cnccc2c1 CM14380 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.1 c1cc(ccc1N=C=O)F CM13772 [1,1,0,0,0,0|1,0,1]=4 14 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [1,1,0,0,0,0|1,0,1]=4 15 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [1,1,0,0,0,0|1,0,1]=4 16 B12R1.21 c1cc(ncc1C=CC(=O)O)N CM11013 [0,2,0,0,0,0|1,0,0]=3 17 B12R1.107 CC(c1ccccc1)NC(=O)C CM11017 [0,2,0,0,0,0|1,0,1]=4 18 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,2,0,0,0,0|0,0,2]=4 19 B12R1.100 Cc1cc(cc(c1)I)C=CC#N CM13893 [0,2,0,0,0,0|1,0,1]=4 20 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,2,0,0,0,0|0,0,0]=2 21 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [0,2,0,0,0,0|0,0,2]=4 22 B12R1.252 c1ccc(cc1)COCC(=O)O CM13869 [0,2,0,0,0,0|0,0,2]=4 23 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] CM13917 [0,2,0,0,0,0|1,0,0]=3 24 B10R1.30 Cc1ccc(c(c1)C=O)F CM11970 [0,0,1,1,0,0|1,0,1]=4 25 B10R1.30 Cc1ccc(cc1C=O)Br CM11858 [0,0,1,1,0,0|1,0,1]=4 26 B10R1.30 Cc1ccc(cc1C=O)F CM11975 [0,0,1,1,0,0|1,0,1]=4 27 B10R1.30 c1cc(c(cc1Br)C=O)Cl CM11830 [0,0,1,1,0,0|2,0,0]=4 28 B10R1.30 c1cc(c(cc1Br)C=O)F CM11844 [0,0,1,1,0,0|2,0,0]=4 29 B10R1.30 c1cc(c(cc1Br)C=O)I CM11855 [0,0,1,1,0,0|2,0,0]=4 30 B10R1.30 c1cc(c(cc1Cl)C=O)Br CM14485 [0,0,1,1,0,0|2,0,0]=4 31 B10R1.30 c1cc(c(cc1Cl)C=O)N CM11824 [0,0,1,1,0,0|2,0,0]=4 32 B10R1.30 c1cc(c(cc1F)C=O)Br CM11838 [0,0,1,1,0,0|2,0,0]=4 33 B10R1.30 c1cc(c(cc1F)C=O)Cl CM11877 [0,0,1,1,0,0|2,0,0]=4 34 B10R1.30 c1cc(c(cc1F)C=O)F CM11930 [0,0,1,1,0,0|2,0,0]=4 35 B10R1.30 c1cc(c(cc1F)C=O)I CM11958 [0,0,1,1,0,0|2,0,0]=4 36 B10R1.30 c1cc(c(cc1F)C=O)O CM11952 [0,0,1,1,0,0|2,0,0]=4 37 B10R1.30 c1cc(c(cc1O)C=O)F CM10372 [0,0,1,1,0,0|2,0,0]=4 38 B10R1.172 c1cc(nc(c1)C=O)C=O CM14110 [0,0,1,1,0,0|2,0,0]=4 39 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [1,0,0,1,0,0|2,0,0]=4 40 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [1,0,0,1,0,0|2,0,0]=4 41 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [1,0,0,1,0,0|2,0,0]=4 42 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [1,0,0,1,0,0|2,0,0]=4 43 B10R2.7 c1ccn2cccc2c1 CM10848 [1,0,0,1,0,0|1,0,0]=3 44 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [0,1,0,1,0,0|1,0,0]=3 45 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [0,1,0,1,0,0|1,0,1]=4 46 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [0,1,0,1,0,0|1,0,1]=4 47 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [0,1,0,1,0,0|1,0,0]=3 48 B12R2.24 c1cc2cnccc2cc1F CM10586 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,1,0,1,0,0|1,0,0]=3 50 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 CM14374 [0,1,0,1,0,0|0,0,2]=4 51 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10486 [0,1,0,1,0,0|1,0,1]=4 52 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10771 [0,1,0,1,0,0|1,0,1]=4 53 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 CM10602 [0,1,0,1,0,0|1,0,1]=4 54 B12R2.132 c1cc2c(cc1Br)s(=O)cn2 CM14366 [0,1,0,1,0,0|2,0,0]=4 55 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 CM10770 [0,1,0,1,0,0|1,0,1]=4 56 B12R2.2 c1ccc(cc1)c2[nH]ccn2 CM10201 [0,1,0,1,0,0|1,0,0]=3 57 B12R2.2 c1ccc(cc1)c2c[nH]nc2 CM10493 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.1081 c1cc2cnccc2c(c1)Br CM10257 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.1081 c1cc2cnccc2c(c1)N CM10928 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,1,0,1,0,0|0,0,2]=4 61 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,1,0,1,0,0|0,0,2]=4 62 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,1,0,1,0,0|0,0,2]=4 63 B12R2.1081 c1ccc2c(c1)cccc2I CM13878 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.1081 c1ccc2c(c1)ccnc2Cl CM10596 [0,1,0,1,0,0|1,0,0]=3 65 B12R2.1081 c1ccc2c(c1)ccnc2N CM10316 [0,1,0,1,0,0|1,0,0]=3 66 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.32 c1cncn2c1nc(c2)C=O CM10608 [0,1,0,1,0,0|2,0,0]=4 68 B12R2.196 c1cc2c(c(c1)Br)CCC2=O CM10103 [0,1,0,1,0,0|0,0,2]=4 69 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O CM10362 [0,1,0,1,0,0|0,0,2]=4 70 B12R2.196 c1cc2c(c(c1)F)CCC2=O CM10386 [0,1,0,1,0,0|0,0,2]=4 71 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,1,0,1,0,0|0,0,2]=4 72 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,1,0,1,0,0|0,0,2]=4 75 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [0,1,0,1,0,0|1,0,1]=4 76 B12R2.1 c1cn2c(cnc2cn1)C=O CM10616 [0,1,0,1,0,0|2,0,0]=4 77 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [0,1,0,1,0,0|2,0,0]=4