0 B11R1.189 COC1=CC=CC(CC=O)=C1 BB32-3005 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.189 COC1=CC=CC(CON)=C1 BB32-1643 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.280 C=CC1=CC(OC)=C(F)C=C1 BB32-3523 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 BB31-3965 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.280 COC1=C(I)C=CC(C=O)=C1 BB32-0470 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.280 COC1=CC(OC)=C(Br)C=N1 BB32-2351 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.280 COC1=CC(OC)=C(S)C=C1 BB31-4068 [1,0,0,0,0,0|1,1,0]=3 7 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 BB31-7068 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.49 CNC(=O)C1=CC(OC)=C(N)C=C1 BB31-6603 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.49 CNC1=C(N)C=CC(C(=O)OC)=C1 BB32-3297 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.49 COC1=C(O)C=CC(C(=O)CBr)=C1 BB31-7156 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.575 COC1=C(O)C=CC(CCCO)=C1 BB31-6125 [0,1,0,0,0,0|0,0,2]=3 12 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 BB31-8995 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.599 COC1=C(Br)C=C2NC=NC2=C1 BB31-0132 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 BB31-8993 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.599 COC1=C(Cl)C=C2NN=CC2=C1 BB31-1676 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 BB32-3244 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.172 C=CC1=CC=CC(C=C)=C1 BB31-8766 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.172 CSC1=CC(C=O)=CC=C1 BB31-7190 [2,0,0,0,0,0|1,1,0]=4 19 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [2,0,0,0,0,0|0,0,2]=4 20 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 BB31-3792 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.176 CCC1=CC(C)=C(C)C=C1 BB31-7435 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.176 CCC1=CC(C)=C(N)C=C1 BB31-7084 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.176 COC1=CC(O)=C(Cl)C=C1 BB31-3552 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.176 COC1=CC(O)=C(O)C=C1 BB32-1848 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.176 OCC1=CC(O)=C(O)C=C1 BB31-5748 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.30 CCC1=C(O)C=CC(Br)=C1 BB31-3966 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.30 COC1=C(C)C=CC(I)=C1 BB32-1094 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.30 COC1=C(C)C=CC(O)=C1 BB31-4015 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.30 COC1=C(I)C=CC(C)=C1 BB31-7787 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.30 COC1=C(I)C=CC(N)=C1 BB31-9407 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5893 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5894 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.435 COC1=CC=CC(C(=O)CN)=C1 BB31-7626 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.367 CCC(=O)C1=CC(F)=C(O)C=C1 BB32-3270 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 BB32-2729 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 BB31-1276 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 BB31-3596 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 BB31-4303 [1,1,0,0,0,0|0,0,1]=3 39 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 BB32-3124 [1,1,0,0,0,0|0,0,1]=3 40 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 BB32-1172 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.78 COC1=C(OC)C=C(NN)C=C1 BB31-5061 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.300 COC1=CC(C=O)=CC(F)=C1O BB31-5165 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 BB31-5169 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.300 COC1=CC(OC)=C(Cl)C(O)=C1 BB31-3551 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 BB31-5908 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.449 COC1=C(F)C=C(F)C(C=O)=C1 BB31-3633 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 BB31-4270 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 BB31-8060 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.654 COC1=CC=C(Br)C(OC)=C1Br BB31-7820 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.2283 COC(=O)C1=CC(OC)=C(Br)C=C1N BB31-1275 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.2283 COC(=O)C1=CC(OC)=C(F)C=C1N BB31-3093 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.3405 COC(=O)CC1=CC(OC)=C(O)C=C1 BB31-3088 [0,2,0,0,0,0|0,0,1]=3 53 B14R1.6787 CCOC1=C(OC)C=CC(\C=N\O)=C1 BB32-0409 [0,2,0,0,0,0|2,0,0]=4 54 B12R2.43 COC1=CC=CC(C2CO2)=C1 BB32-1900 [1,0,0,1,0,0|1,0,1]=4 55 B12R2.44 COC1=CC2=C(C=C1)CNC2 BB31-1763 [1,0,0,1,0,0|1,0,1]=4 56 B12R2.44 COC1=CC2=C(C=C1)OC=N2 BB31-1933 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.44 COC1=CC2=C(C=C1)SC=C2 BB31-3820 [1,0,0,1,0,0|1,0,0]=3 58 B12R2.44 COC1=CC2=C(C=CS2)C=C1 BB31-7406 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.315 CCC1=C2NC=CC2=CC=C1 BB31-6072 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.315 COC1=C2CCNC2=CC=C1 BB31-7002 [1,0,0,1,0,0|1,0,1]=4 61 B12R2.315 COC1=C2CCNC2=CC=C1 BB31-7398 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.315 COC1=C2NC=CC2=NC=C1 BB31-7716 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.315 COC1=C2NN=CC2=CC=C1 BB31-6075 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.315 COC1=C2OC=CC2=CC=C1 BB31-4762 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.100 CC1=C(O)C=C2NN=CC2=C1 BB31-9473 [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 B14R2.2167 COC1=C(Cl)C=C2CCC(=O)C2=C1 BB31-6006 [0,1,0,1,0,0|1,0,1]=4 68 B14R2.2167 COC1=C(F)C=C2CCC(=O)C2=C1 BB31-6013 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.2167 COC1=CC2=C(C=C1O)CCC2=O BB31-1784 [0,1,0,1,0,0|0,0,1]=3 70 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 BB31-6900 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.82 COC1=CC2=C(C=C1OC)SC=C2 BB31-7422 [0,1,0,1,0,0|1,0,0]=3 72 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 BB31-2653 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.203 COC1=C(N)C=CC2=NC=CC=C21 BB32-2914 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.991 ClCCNC1=CC2=C(C=C1)OCO2 BB52-9527 [0,1,0,1,0,0|1,0,1]=4 75 B14R2.991 NCCNC1=CC2=C(C=C1)OCO2 BB52-8967 [0,1,0,1,0,0|1,0,1]=4 76 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 BB52-9539 [0,1,0,1,0,0|1,0,1]=4 77 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O BB31-5802 [0,1,0,1,0,0|0,0,1]=3 78 B14R2.1128 COC1=CC2=NC=CC=C2C=C1Br BB32-0769 [0,1,0,1,0,0|1,0,1]=4