0 B11R1.41 CCOC1=CC=CC=C1C#N 6552 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.20 CCC1=CC=CC=C1NN 10327 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.20 CCC1=NC=CN=C1OC 5339 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.20 COC1=CC=CC=C1OC 9439 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.20 COC1=CC=CC=C1SC 5663 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.121 COC1=CC=CC=C1OCCN 5479 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.169 CCOC1=CC=CC=C1N=C=S 5592 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [2,0,0,0,0,0|1,0,0]=3 13 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [2,0,0,0,0,0|1,0,0]=3 14 B9R1.8 C1=CC=C(C=C1)CON 10183 [2,0,0,0,0,0|1,0,0]=3 15 B9R1.8 C1=CC=NC(=C1)CCN 5251 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.8 C1=CC=NC(=C1)CCO 9142 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.8 CCCC1=CC=NC=C1 8669 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.8 c1cnccc1CCN A0195 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.8 c1cnccc1CCN P0148 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [2,0,0,0,0,0|0,0,2]=4 22 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.15 CC1=CC=CC=C1CO 6723 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.15 CCC1=CC=CC=C1I 6010 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.15 CCC1=CC=CC=C1S 5060 [2,0,0,0,0,0|0,1,0]=3 36 B9R1.15 COC1=C(C=CC=N1)N 6512 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 COC1=CC=CC=C1Br 6133 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.15 COC1=CC=CC=C1F 6115 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.15 COC1=CC=CC=C1I 9182 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.15 COC1=CC=CC=C1N 6674 [2,0,0,0,0,0|0,0,0]=2 42 B9R1.15 COc1ccccc1Br B0022 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.15 CSC1=CC=CC=C1Br 5058 [2,0,0,0,0,0|1,1,0]=4 44 B9R1.15 CSC1=CC=CC=C1Cl 6157 [2,0,0,0,0,0|1,1,0]=4 45 B9R1.15 CSC1=CC=CC=C1N 8226 [2,0,0,0,0,0|0,1,0]=3 46 B9R1.15 CSC1=CC=CC=C1O 8029 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.86 CC1=CC=CC=C1NC(=S)N 8725 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.182 CC1=C(C=C(C=C1)F)CC#N 9251 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.605 C1=CC(=C(C(=C1)Cl)CCN)Cl 9888 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.37 COC1=C(C=C(C=C1)Br)OC 6005 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.37 COC1=C(C=C(C=C1)N)OC 6610 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.37 COC1=C(C=CC(=C1)O)C=O 5482 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.53 CC(C1=CC=CC=C1OC)O 9994 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.265 COC1=C(C(=CC=C1)F)C#N 6305 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.265 COC1=C(C(=CC=C1)F)C=O 9347 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.380 C1=CC=C(C(=C1)CC#N)OC(F)F 5635 [0,2,0,0,0,0|0,0,2]=4 59 B13R1.3089 COC1=C(C=C(C=C1)Br)CC(=O)O 6854 [0,2,0,0,0,0|1,0,1]=4 60 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [1,0,0,1,0,0|1,0,1]=4 61 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.20 C1CNCC2=CC=CC=C21 8407 [1,0,0,1,0,0|0,0,0]=2 63 B11R2.106 C1=CC2=C(C=CN2)C(=C1)O 9531 [1,0,0,1,0,0|0,0,2]=4 64 B13R2.1 C1=CC=C2C(=C1)C(=CN2)CCN 8292 [0,1,0,1,0,0|1,0,1]=4