0 B11R1.189 COC1=CC=CC(CC=O)=C1 BB32-3005 [1,0,0,0,0,0|1,0,0]=2 1 B11R1.189 COC1=CC=CC(CON)=C1 BB32-1643 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.189 COC1=NC(CC#N)=CC=C1 BB31-0027 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.189 COC1=NC=CC(CC#N)=C1 BB31-7192 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.280 C=CC1=CC(OC)=C(F)C=C1 BB32-3523 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 BB31-3965 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.280 COC1=C(I)C=CC(C=O)=C1 BB32-0470 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.280 COC1=CC(OC)=C(S)C=C1 BB31-4068 [1,0,0,0,0,0|1,1,1]=4 8 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 BB31-7068 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.49 COC1=C(O)C=CC(C(=O)CBr)=C1 BB31-7156 [0,1,0,0,0,0|1,0,2]=4 10 B13R1.575 COC1=C(O)C=CC(CCCO)=C1 BB31-6125 [0,1,0,0,0,0|0,0,2]=3 11 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 BB31-6677 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 BB31-7219 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.599 COC1=C(Br)C=C2C=CNC2=N1 BB31-0759 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 BB31-8995 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.599 COC1=C(Br)C=C2NC=NC2=C1 BB31-0132 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 BB31-8993 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 BB32-3244 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.172 C=CC1=CC=CC(C=C)=C1 BB31-8766 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.172 COC1=CC(CN)=NC=C1 BB31-9683 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.172 COC1=CC=CC(CBr)=N1 BB31-2973 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.172 COC1=CN=CC(CN)=C1 BB31-8845 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.172 COC1=NC=CC(CCl)=C1 BB31-8195 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.172 CSC1=CC(C=O)=CC=C1 BB31-7190 [2,0,0,0,0,0|1,1,0]=4 24 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [2,0,0,0,0,0|0,0,0]=2 25 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 BB31-3792 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 CC1=C(Cl)C=CC(CO)=C1 BB31-1720 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.176 CCC1=CC(C)=C(C)C=C1 BB31-7435 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.176 CCC1=CC(C)=C(N)C=C1 BB31-7084 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.176 COC1=CC(O)=C(O)C=C1 BB32-1848 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.176 NC1=C(O)C=CC(CO)=C1 BB32-2829 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.176 OCC1=CC(O)=C(O)C=C1 BB31-5748 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.30 CCC1=C(O)C=CC(Br)=C1 BB31-3966 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.30 COC1=C(C)C=CC(I)=C1 BB32-1094 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.30 COC1=C(C)C=CC(O)=C1 BB31-4015 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 COC1=C(I)C=CC(C)=C1 BB31-7787 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.30 COC1=C(I)C=CC(N)=C1 BB31-9407 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5893 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5894 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.41 COC1=CC(CC#N)=CC(Br)=C1 BB31-9810 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.382 C=CCOC1=CC=CC(C#N)=C1 BB12-5348 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 BB31-5579 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 BB31-1276 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 BB31-3596 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 BB31-4303 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 BB32-3124 [1,1,0,0,0,0|0,0,1]=3 46 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 BB32-1172 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.78 COC1=C(OC)C=C(NN)C=C1 BB31-5061 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.300 COC1=CC(C=O)=CC(F)=C1O BB31-5165 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 BB31-5908 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.449 COC1=C(F)C=C(F)C(C=O)=C1 BB31-3633 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 BB31-4270 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 BB31-9387 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.3405 COC(=O)CC1=CC(OC)=C(O)C=C1 BB31-3088 [0,2,0,0,0,0|0,0,1]=3 54 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 BB32-2250 [0,2,0,0,0,0|1,0,1]=4 55 B12R2.43 COC1=CC=CC(C2CO2)=C1 BB32-1900 [1,0,0,1,0,0|1,0,1]=4 56 B12R2.44 COC1=CC2=C(C=C1)CNC2 BB31-1763 [1,0,0,1,0,0|1,0,1]=4 57 B12R2.44 COC1=CC2=C(C=C1)OC=N2 BB31-1933 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.44 COC1=CC2=C(C=C1)SC=C2 BB31-3820 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.44 COC1=CC2=C(C=CS2)C=C1 BB31-7406 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.44 COC1=NC2=C(C=CN2)C=C1 BB31-4734 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.44 COC1=NC=C2C=CNC2=C1 BB31-6789 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.315 COC1=C2C=NNC2=CC=C1 BB51-3311 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.315 COC1=C2OC=CC2=CC=C1 BB31-4762 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.100 CC1=C(Br)C=C2C=CNC2=C1 BB31-0019 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.100 CC1=C(F)C=C2C=CNC2=C1 BB31-0018 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 BB32-0824 [1,0,0,1,0,0|2,0,0]=4 67 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 BB31-6900 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.82 COC1=CC2=C(C=C1OC)SC=C2 BB31-7422 [0,1,0,1,0,0|1,0,0]=3 69 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 BB31-2653 [0,1,0,1,0,0|1,0,1]=4 70 B14R2.203 COC1=C(N)C=CC2=NC=CC=C21 BB32-2914 [0,1,0,1,0,0|1,0,1]=4 71 B14R2.991 ClCCNC1=CC2=C(C=C1)OCO2 BB52-9527 [0,1,0,1,0,0|1,0,1]=4 72 B14R2.991 NCCNC1=CC2=C(C=C1)OCO2 BB52-8967 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 BB52-9539 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O BB31-5802 [0,1,0,1,0,0|0,0,1]=3 75 B14R2.1128 COC1=CC2=NC=CC=C2C=C1Br BB32-0769 [0,1,0,1,0,0|1,0,1]=4