0 B12R1.286 COC1=C(C=CC(=C1)CC#N)F 8464 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.280 COC1=C(C=CC(=C1)C#N)F 5125 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.280 COC1=C(C=CC(=C1)C=O)F 6470 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.280 COC1=CC(=C(C=C1)I)OC 8019 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.280 COC1=CC(=C(C=C1)S)OC 10443 [1,0,0,0,0,0|1,1,0]=3 5 B13R1.49 COC1=C(C=CC(=C1)C(=O)OC)N 6843 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.386 COC1=C(C=C(C=C1)CC#N)OC 10610 [0,1,0,0,0,0|1,0,2]=4 7 B13R1.386 COC1=C(C=C(C=C1)CCN)OC 10079 [0,1,0,0,0,0|1,0,2]=4 8 B13R1.386 COc1ccc(cc1OC)CCN D0021 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.386 COc1ccc(cc1OC)CCN D1244 [0,1,0,0,0,0|1,0,2]=4 10 B10R1.172 COC1=CC(=CC=C1)SC 6568 [2,0,0,0,0,0|1,0,0]=3 11 B10R1.172 COC1=CC=CC(=C1)C#N 8238 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.172 COC1=CC=CC(=C1)CCl 8952 [2,0,0,0,0,0|1,0,1]=4 13 B10R1.172 COC1=CC=CC(=N1)C=O 8456 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.176 C1=CC(=C(C=C1C=O)F)O 9932 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.176 C1=CC(=C(C=C1C=O)O)O 6767 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.176 COC1=CC(=C(C=C1)O)Br 8831 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.30 COC1=C(C=CC(=C1)Br)Cl 9742 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.30 COC1=C(C=CC(=C1)Br)F 5237 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.30 COC1=C(C=CC(=C1)Br)N 5264 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.30 COC1=C(C=CC(=C1)Br)O 6868 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.30 COC1=C(C=CC(=C1)F)F 8359 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O 8802 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N 9546 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC 5973 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F 9887 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O 8894 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.78 COC1=C(C=C(C=C1)C#N)OC 9392 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.78 COC1=C(C=C(C=C1)C=O)OC 6788 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O 8901 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC 6543 [0,2,0,0,0,0|2,0,0]=4 31 B14R1.42 COC1=C(C=CC(=C1)\C=C\C(=O)O)O 9849 [0,2,0,0,0,0|0,0,1]=3 32 B12R2.44 COC1=CC2=C(C=C1)C=CN2 6603 [1,0,0,1,0,0|1,0,1]=4 33 B12R2.44 COC1=CC2=C(C=C1)C=CN2 8822 [1,0,0,1,0,0|1,0,1]=4 34 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)NN 6555 [0,1,0,1,0,0|2,0,0]=4 35 B14R2.82 COC1=C(C=C2C(=C1)C=CN2)OC 8221 [0,1,0,1,0,0|1,0,0]=3