0 B11R1.280 COC1=C(C)C=CC(C=O)=C1 CS-W018927 [1,0,0,0,0,0|1,0,0]=2 1 B11R1.280 COC1=C(F)C=CC(C=O)=C1 CS-W018049 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.280 COC1=C(F)C=CC(CO)=C1 CS-W016238 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.280 COC1=C(N)C=CC(CO)=C1 CS-W006326 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.280 COC1=CC(OC)=C(O)C=C1 CS-W018911 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 CS-0060341 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.280 N#CC1=CC(C=O)=CC=C1F CS-B0043 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.280 N#CC1=CC(C=O)=CC=C1O CS-B1369 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.558 CCOCC1=CC(C#N)=CC=C1Br CS-B1807 [0,1,0,0,0,0|2,0,1]=4 9 B13R2.57 O=CC1=CC=C2OCCOC2=N1 CS-0103523 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.30 COC1=C(Br)C=CC(C)=C1 CS-W004967 [2,0,0,0,0,0|1,0,1]=4 11 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS-W007814 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.30 COC1=C(C)C=CC(N)=C1 CS-W007666 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.30 COC1=C(N)C=CC(Cl)=C1 CS-0043926 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.30 COC1=CC(Br)=CC=C1I CS-W020552 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.30 COC1=CC(Br)=CC=C1N CS-W009042 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.30 COC1=CC(Br)=CC=C1O CS-W007865 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.30 COC1=CC(C)=CC=C1C CS-W023068 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.30 COC1=CC(I)=CC=C1Br CS-0063934 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.30 COC1=CC(I)=CC=C1F CS-0103252 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.172 CCC1=CC(C=O)=CC=C1 CS-W006593 [2,0,0,0,0,0|0,0,0]=2 21 B10R1.172 COC1=CC=CC(C=O)=N1 CS-W003240 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.172 COC1=CC=CC(CN)=C1 CS-W007351 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.172 COC1=CC=CC(NN)=C1 CS-W017475 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.172 N#CC1=CC(C=O)=CC=C1 CS-W007808 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 CS-W019169 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 CC1=C(O)C=C(C=O)C=C1 CS-W007074 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.176 CC1=CC(C=O)=CC=C1F CS-W007668 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 CS-W007518 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS-W004771 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.176 O=CC1=CC=C(Br)C(O)=C1 CS-0033659 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.176 O=CC1=CC=C(O)C(I)=C1 CS-W020692 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.268 CCOC1=CC(Br)=CC=C1C#N CS-0097292 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.41 CCOC1=CC(C=O)=CC(F)=C1 CS-0098640 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.286 O=CC1=CC(CCO)=CC=C1Cl CS-0094856 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.382 N#CC1=CC=CC(OCCBr)=C1 CS-0038832 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 CS-W022332 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 CS-0018873 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.78 COC1=CC(C=O)=CC=C1C#N CS-0105523 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.78 COC1=CC=C(C#N)C=C1OC CS-0000029 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 CS-W005482 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O CS-B0144 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.654 COC1=C(O)C(C=O)=CC=C1O CS-0059753 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.5121 CCOC1=CC(C=O)=CC=C1B(O)O CS-0045110 [0,2,0,0,0,0|0,0,0]=2 44 B14R1.6787 CCOC1=CC(\C=N\O)=CC=C1OC CS-Z0023 [0,2,0,0,0,0|0,0,1]=3 45 B12R1.312 CCOC(=O)C1=CC=C(C=O)N1 CS-D0032 [0,0,1,1,0,0|2,0,0]=4 46 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS-W018893 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 CS-M3131 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.606 CC1CC2=CC(Br)=CC=C2O1 CS-0037566 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CS-M2667 [1,0,0,1,0,0|2,0,0]=4 50 B12R2.315 O=CC1=CC=CC2=C1OCC2 CS-W005801 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.781 O=C(O)C1=CC=C2CCCOC2=C1 CS-0028269 [0,1,0,1,0,0|1,0,0]=3 52 B14R2.8653 CC(=O)C1=C2OCOC2=C(Br)C=C1 CS-M3685 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.112 CNCC1=CC=C2OCCOC2=C1 CS-0037876 [0,1,0,1,0,0|1,0,1]=4