0 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 CS-W021406 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.189 CNCC1=CC(OC)=CC=C1 CS-D0558 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.189 COC1=CC(CCO)=CC=C1 CS-W008146 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC=CC(CC#N)=C1 CS-W007963 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.192 CNCC1=CC=C(O)C(O)=C1 CS-0059168 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 CS-W005212 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.280 COC1=C(N)C=CC(C#N)=C1 CS-W006078 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.280 COC1=CC(C#N)=CC=C1O CS-0046224 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.280 O=CC1=CC(CO)=CC=C1O CS-0102097 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.386 COC1=CC=C(CC#N)C=C1OC CS-0008419 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.386 COC1=CC=C(CCN)C=C1OC CS-W023192 [0,1,0,0,0,0|1,0,1]=3 11 B13R2.449 BrCCC1=CC=C2OCCC2=C1 CS-M0163 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.449 ClCCC1=CC=C2OCCC2=C1 CS-M1816 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.449 N#CCC1=CC=C2OCOC2=C1 CS-0033767 [0,0,0,1,0,0|1,0,1]=3 14 B13R2.449 NCCC1=CC=C2OCOC2=C1 CS-W021803 [0,0,0,1,0,0|1,0,1]=3 15 B13R2.599 COC1=CC2=C(C=NN2)C=C1Br CS-D0843 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.172 COC1=CC(CO)=NC=C1 CS-0030488 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.172 COC1=CC=CC(C=O)=C1 CS-W007346 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.172 COC1=CC=CC(CO)=N1 CS-W021123 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.172 COC1=NC=CC(C=O)=C1 CS-D1632 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.1 N#CCC1=CC=C(O)C=C1 CS-W016539 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS-W018591 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.176 CC1=CC=C(CN)C=C1C CS-0039163 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.176 CC1=CC=C(CO)C=C1C CS-0044039 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 CS-W007483 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS-W014392 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.176 O=CC1=CC=C(I)C(O)=C1 CS-0038831 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS-W006136 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.30 CC1=CC=C(O)C(C#N)=C1 CS-0100681 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.30 COC1=C(Br)C=CC(O)=C1 CS-W008128 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 COC1=C(C)C=CC(Br)=C1 CS-W008193 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 CS-W005884 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS-W016214 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.30 COC1=C(F)C=CC(N)=C1 CS-W005619 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 COC1=C(O)C=CC(N)=C1 CS-W008263 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.30 COC1=CC(Br)=CC=C1Br CS-0040073 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.30 COC1=CC(C)=CC=C1N CS-W021709 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.30 COC1=CC(C)=CC=C1O CS-W021711 [2,0,0,0,0,0|0,0,0]=2 39 B10R1.30 COC1=CC(Cl)=CC=C1N CS-0042669 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.30 COC1=CC(Cl)=CC=C1O CS-0096842 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.30 COC1=CC(I)=CC=C1Cl CS-0041284 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.30 COC1=NC(Br)=CC=C1O CS-0046307 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 COC1=NC(C)=CC=C1F CS-0096877 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.41 COC1=CC(F)=CC(CC#N)=C1 CS-W019340 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 CS-0041927 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.382 CCNCC1=CC(OC)=CC=C1 CS-0038214 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS-W017876 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.56 COC1=CC(B(O)O)=CC=C1O CS-0044961 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.56 COC1=CC(C(=O)O)=CC=C1N CS-M0329 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1O CS-W005249 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.78 COC1=C(OC)C=C(NN)C=C1 CS-W006381 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS-W007584 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 CS-0043430 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 CS-0089647 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.449 COC1=C(F)C=C(Br)C(C=O)=C1 CS-0097503 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC CS-M1302 [0,2,0,0,0,0|1,0,0]=3 57 B12R2.44 COC1=CC2=C(C=C1)C=NN2 CS-D1536 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.44 COC1=CC2=C(C=C1)N=CN2 CS-W010985 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.44 COC1=CC2=C(C=CN2)C=C1 CS-D1149 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.44 COC1=CC2=C(C=CN2)C=N1 CS-W006585 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.315 COC1=C2C=CNC2=CC=C1 CS-W008893 [1,0,0,1,0,0|1,0,0]=3 62 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 CS-W007484 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 CS-M0929 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br CS-0041682 [0,1,0,1,0,0|1,0,1]=4 65 B14R2.991 COCOC1=CC=C2OCOC2=C1 CS-M2923 [0,1,0,1,0,0|1,0,1]=4