0 B11R1.189 COC1=CC=CC(CCN)=C1 CS-M3354 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.280 COC1=C(C)C=CC(C=O)=C1 CS-W018927 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.280 COC1=C(F)C=CC(C=O)=C1 CS-W018049 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.280 COC1=C(F)C=CC(CO)=C1 CS-W016238 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.280 COC1=C(N)C=CC(CO)=C1 CS-W006326 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.280 COC1=CC(OC)=C(O)C=C1 CS-W018911 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.280 N#CC1=CC(C=O)=CC=C1O CS-B1369 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 CS-0103493 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.599 COC1=C(N)C=C2C=NNC2=C1 CS-W006786 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.10 CC1=CC(CNN)=CC=C1 CS-0046882 [2,0,0,0,0,0|2,0,0]=4 10 B10R1.172 CCC1=CC(C=O)=CC=C1 CS-W006593 [2,0,0,0,0,0|2,0,0]=4 11 B10R1.172 COC1=CC=CC(C=O)=N1 CS-W003240 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.172 COC1=CC=CC(CN)=C1 CS-W007351 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.172 COC1=CC=CC(NN)=C1 CS-W017475 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.172 COC1=CC=NC(CCl)=C1 CS-0029801 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.172 COC1=NC=CC(CO)=C1 CS-W006559 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.176 C=CC1=CC=C(Cl)C(F)=C1 CS-0014413 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.176 CC1=C(O)C=C(C=O)C=C1 CS-W007074 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.176 CC1=CC(C=O)=CC=C1F CS-W007668 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS-W004771 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.176 O=CC1=CC=C(Br)C(O)=C1 CS-0033659 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.176 O=CC1=CC=C(O)C(I)=C1 CS-W020692 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.30 COC1=C(Br)C=CC(C)=C1 CS-W004967 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS-W007814 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.30 COC1=C(C)C=CC(N)=C1 CS-W007666 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.30 COC1=C(N)C=CC(Cl)=C1 CS-0043926 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.30 COC1=CC(Br)=CC=C1I CS-W020552 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.30 COC1=CC(Br)=CC=C1N CS-W009042 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.30 COC1=CC(Br)=CC=C1O CS-W007865 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.30 COC1=CC(C)=CC=C1C CS-W023068 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.30 COC1=CC(I)=CC=C1Br CS-0063934 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 COC1=CC(I)=CC=C1F CS-0103252 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.41 COC1=CC(N)=CC(CCO)=C1 CS-M0774 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 CS-0040383 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 CS-W006502 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 CS-0047271 [1,1,0,0,0,0|0,0,1]=3 36 B12R1.288 COC1=CC=C(CCN)C=C1O CS-W022238 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.78 COC1=CC(C=O)=CC=C1C#N CS-0105523 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.78 COC1=CC=C(C#N)C=C1OC CS-0000029 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 CS-W005482 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O CS-B0144 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.654 COC1=C(O)C(C=O)=CC=C1O CS-0059753 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.3651 COC1=C(OC)C=C(CC(C)O)C=C1 CS-0092697 [0,2,0,0,0,0|0,0,2]=4 43 B14R1.3651 COC1=CC=C(CC(N)=O)C=C1OC CS-M0062 [0,2,0,0,0,0|1,0,0]=3 44 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 CS-0036988 [0,2,0,0,0,0|1,0,1]=4 45 B12R2.315 COC1=CC=CC2=C1C=CS2 CS-0099933 [1,0,0,1,0,0|1,0,0]=3 46 B12R2.315 COC1=CC=CC2=C1NC=N2 CS-0043995 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.82 OC1=C(F)C2=C(C=C1)NC=C2 CS-0028234 [1,0,0,1,0,0|2,0,0]=4 48 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CS-W018811 [1,0,0,1,0,0|1,0,0]=3 49 B14R2.112 CNCC1=CC=C2OCCOC2=C1 CS-0037876 [0,1,0,1,0,0|1,0,1]=4 50 B14R2.82 COC1=CC2=C(C=C1OC)CNC2 CS-0101431 [0,1,0,1,0,0|1,0,1]=4 51 B14R2.1416 COC1=CC2=C(C=C1F)C(=O)CC2 CS-0101689 [0,1,0,1,0,0|1,0,1]=4 52 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 CS-0036171 [0,1,0,1,0,0|0,0,1]=3