0 B12R1.286 COC1=C(C=CC(=C1)CC#N)F 8464 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.280 COC1=C(C=CC(=C1)C#N)F 5125 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.280 COC1=C(C=CC(=C1)C=O)F 6470 [1,0,0,0,0,0|2,0,1]=4 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 B13R1.386 COC1=C(C=C(C=C1)CC#N)OC 10610 [0,1,0,0,0,0|0,0,2]=3 6 B13R1.386 COC1=C(C=C(C=C1)CCN)OC 10079 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.386 COc1ccc(cc1OC)CCN D0021 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.386 COc1ccc(cc1OC)CCN D1244 [0,1,0,0,0,0|0,0,0]=1 9 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [2,0,0,0,0,0|1,0,0]=3 10 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [2,0,0,0,0,0|1,0,0]=3 11 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [2,0,0,0,0,0|1,0,0]=3 12 B10R1.172 COC1=CC(=CC=C1)SC 6568 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.172 COC1=CC=CC(=C1)C#N 8238 [2,0,0,0,0,0|0,0,2]=4 14 B10R1.172 COC1=CC=CC(=C1)CCl 8952 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.176 C1=CC(=C(C=C1C=O)O)O 6767 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.176 C1=CC(=C(C=C1CN)Cl)F 8697 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.176 C1=CC(=C(C=C1CO)Br)O 9541 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.176 CC1=C(C=C(C=C1)CN)C 6547 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.176 CC1=C(C=C(C=C1)CN)F 8324 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.176 CC1=C(C=CC(=C1)CBr)F 9893 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.176 CC1=C(C=CC(=C1)CN)F 8722 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.176 COC1=CC(=C(C=C1)O)Br 8831 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 c1cc(c(cc1CN)F)Cl C0229 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 COC1=C(C=CC(=C1)Br)Cl 9742 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 COC1=C(C=CC(=C1)Br)F 5237 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.30 COC1=C(C=CC(=C1)Br)N 5264 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.30 COC1=C(C=CC(=C1)Br)O 6868 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.30 COC1=C(C=CC(=C1)F)F 8359 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O 8802 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.385 CC1=C(C=C(C=C1)NCCO)O 8141 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.385 CCCCC1=CC(=C(C=C1)I)C 9757 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC 5973 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O 8894 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.78 COC1=C(C=C(C=C1)C#N)OC 9392 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.78 COC1=C(C=C(C=C1)C=O)OC 6788 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O 8901 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC 6543 [0,2,0,0,0,0|1,0,1]=4 45 B14R1.14946 COC1=C(C=C(C(=C1)CC#N)Br)OC 6524 [0,2,0,0,0,0|0,0,2]=4 46 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)NN 6555 [0,1,0,1,0,0|1,0,1]=4 47 B14R2.82 COC1=C(C=C2C(=C1)C=CN2)OC 8221 [0,1,0,1,0,0|0,0,2]=4