0 B11R1.17 C1=CC=C(C(=C1)CN=C=S)Cl 10330 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.17 C1=CC=C(C(=C1)OCC#N)Cl 10416 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [1,0,0,0,0,0|0,1,2]=4 3 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,0,0,0,0,0|0,0,0]=1 4 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,0,0,0,0,0|1,1,0]=3 5 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,0,0,0,0,0|1,1,0]=3 6 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 CCNCC1=CC=NC=C1 8861 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 CNCCC1=CC=CC=N1 10522 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.17 CNCCC1=CC=CC=N1 6724 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.69 C1=CC(=C(C=C1Cl)Cl)CN=C=S 9195 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br 8755 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl 5181 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F 5182 [0,1,0,0,0,0|2,1,0]=4 14 B12R1.125 CC1=CC=CC=C1CCC(=O)O 8274 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl 5514 [0,1,0,0,0,0|2,0,1]=4 16 B12R2.32 c1ccc2c(c1)CC(C2)CN A0089 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.196 CN1C=CC2=C(C=CN=C21)Cl 8446 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 C1=CC=C(C=C1)CON 10183 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 C1=CC=NC(=C1)CCN 5251 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 C1=CC=NC(=C1)CCO 9142 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.8 CCCC1=CC=NC=C1 8669 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.8 c1cnccc1CCN A0195 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 c1cnccc1CCN P0148 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [2,0,0,0,0,0|1,1,0]=4 28 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [2,0,0,0,0,0|1,1,0]=4 29 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [2,0,0,0,0,0|0,1,0]=3 30 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [2,0,0,0,0,0|0,0,0]=2 31 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [2,0,0,0,0,0|0,1,0]=3 32 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [2,0,0,0,0,0|1,1,0]=4 34 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [2,0,0,0,0,0|1,1,0]=4 37 B9R1.15 CC1=CC=CC=C1CO 6723 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 CCC1=CC=CC=C1I 6010 [2,0,0,0,0,0|0,1,0]=3 39 B9R1.15 CCC1=CC=CC=C1S 5060 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 COC1=CC=CC=C1Br 6133 [2,0,0,0,0,0|1,1,0]=4 42 B9R1.15 COC1=CC=CC=C1F 6115 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.15 COC1=CC=CC=C1I 9182 [2,0,0,0,0,0|1,1,0]=4 44 B9R1.15 COC1=CC=CC=C1N 6674 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.15 COc1ccccc1Br B0022 [2,0,0,0,0,0|1,1,0]=4 46 B9R1.15 CSC1=CC=CC=C1Br 5058 [2,0,0,0,0,0|1,1,0]=4 47 B9R1.15 CSC1=CC=CC=C1Cl 6157 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.15 CSC1=CC=CC=C1N 8226 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 CSC1=CC=CC=C1O 8029 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.41 CCOC1=CC=CC=C1C#N 6552 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CC#N 10016 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.605 C1=CC(=C(C(=C1)Cl)CCN)Cl 9888 [1,1,0,0,0,0|0,0,0]=2 55 B11R1.1 CCCCC1=CC=C(C=C1)I 10271 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.28 C1=CC=C(C=C1)CCN=C=O 10538 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.28 C1=CC=C(C=C1)CNCCN 9598 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.28 C1=CC=C(C=C1)OCCCBr 10158 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [1,1,0,0,0,0|2,0,0]=4 60 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [1,0,0,1,0,0|1,0,0]=3 61 B11R2.20 C1CNCC2=CC=CC=C21 8407 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl 8597 [1,0,0,1,0,0|0,0,2]=4