0 B11R1.189 CCNC1=CC=CC(C#N)=C1 BB31-6524 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.189 COC1=CC=CC(CC=O)=C1 BB32-3005 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.189 COC1=CC=CC(CON)=C1 BB32-1643 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.189 COC1=NC(CC#N)=CC=C1 BB31-0027 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.189 COC1=NC=CC(CC#N)=C1 BB31-7192 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.192 CCOC1=CC(N)=C(Br)C=C1 BB12-5194 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.192 CCOC1=CC(N)=C(Cl)C=C1 BB12-5195 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.192 CCOC1=CC(N)=C(I)C=C1 BB12-5193 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.192 FC1=C(Cl)C=C(CCBr)C=C1 BB31-1487 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.192 OCCC1=CC(F)=C(Cl)C=C1 BB31-4082 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.280 C=CC1=CC(OC)=C(F)C=C1 BB32-3523 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 BB31-3965 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 COC1=C(I)C=CC(C=O)=C1 BB32-0470 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 COC1=CC(OC)=C(Br)C=N1 BB32-2351 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.280 COC1=CC(OC)=C(S)C=C1 BB31-4068 [1,0,0,0,0,0|1,1,0]=3 15 B13R1.49 CNC(=O)C1=CC(OC)=C(N)C=C1 BB31-6603 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.49 COC1=C(O)C=CC(C(=O)CBr)=C1 BB31-7156 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.575 COC1=C(O)C=CC(CCCO)=C1 BB31-6125 [0,1,0,0,0,0|0,0,0]=1 18 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 BB31-7219 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.2461 N#CC1=C(N)C=CC(C2CC2)=C1 BB32-3860 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.10 CCCC1=CC=CC(Br)=C1 BB31-3877 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.10 CCCC1=CC=CC(F)=C1 BB31-4486 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.10 CCOC1=CC=CC(S)=C1 BB31-5788 [2,0,0,0,0,0|1,1,0]=4 23 B10R1.172 COC1=CC(CN)=NC=C1 BB31-9683 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.172 COC1=CC=CC(CBr)=N1 BB31-2973 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.172 COC1=CN=CC(CN)=C1 BB31-8845 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.172 COC1=NC=CC(CCl)=C1 BB31-8195 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.1 C=CCC1=CC=C(O)C=C1 BB31-5055 [2,0,0,0,0,0|0,0,2]=4 28 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.176 CC1=C(Cl)C=CC(CO)=C1 BB31-1720 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 CCC1=CC(C)=C(C)C=C1 BB31-7435 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.176 CCC1=CC(C)=C(N)C=C1 BB31-7084 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.176 CCC1=CC(F)=C(Br)C=C1 BB31-7483 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.176 COC1=CC(O)=C(Cl)C=C1 BB31-3552 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 COC1=CC(O)=C(O)C=C1 BB32-1848 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.176 NC1=C(O)C=CC(CO)=C1 BB32-2829 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.176 OCC1=CC(O)=C(O)C=C1 BB31-5748 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.30 CCC1=C(O)C=CC(Br)=C1 BB31-3966 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.30 COC1=C(C)C=CC(I)=C1 BB32-1094 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.30 COC1=C(C)C=CC(O)=C1 BB31-4015 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.30 COC1=C(I)C=CC(C)=C1 BB31-7787 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.30 COC1=C(I)C=CC(N)=C1 BB31-9407 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5893 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5894 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.41 COC1=CC(CC#N)=CC(Br)=C1 BB31-9810 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.435 COC1=CC=CC(C(=O)CN)=C1 BB31-7626 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.367 CCC(=O)C1=CC(F)=C(O)C=C1 BB32-3270 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 BB32-3758 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.56 COC1=C(F)C=CC([C@@H](C)N)=C1 BB31-1276 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 BB31-3596 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 BB31-4303 [1,1,0,0,0,0|0,0,0]=2 51 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 BB32-3124 [1,1,0,0,0,0|0,0,0]=2 52 B12R1.78 COC1=C(OC)C=C(NN)C=C1 BB31-5061 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.300 COC1=CC(C=O)=CC(F)=C1O BB31-5165 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.300 COC1=CC(OC)=C(Cl)C(N)=C1 BB31-5169 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.300 COC1=CC(OC)=C(Cl)C(O)=C1 BB31-3551 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.453 CCC1=CC(C(=O)O)=C(O)C=C1 BB31-6008 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 BB31-4270 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 BB31-8060 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.654 COC1=CC=C(Br)C(OC)=C1Br BB31-7820 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 BB31-9387 [0,2,0,0,0,0|1,0,0]=3 61 B14R1.3405 COC(=O)CC1=CC(OC)=C(O)C=C1 BB31-3088 [0,2,0,0,0,0|0,0,1]=3 62 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 BB32-2250 [0,2,0,0,0,0|1,0,0]=3 63 B12R2.43 COC1=CC=CC(C2CO2)=C1 BB32-1900 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 BB31-9563 [1,0,0,1,0,0|1,0,1]=4 65 B12R2.44 COC1=CC2=C(C=C1)CNC2 BB31-1763 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.44 NCC1=CC2=C(C=C1)CCC2 BB31-1915 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 BB31-8032 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.315 COC1=C2CCNC2=CC=C1 BB31-7002 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.315 COC1=C2CCNC2=CC=C1 BB31-7398 [1,0,0,1,0,0|1,0,0]=3 70 B12R2.315 O=CC1=C2CCCC2=CC=C1 BB32-2800 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.100 OC1=C(Br)C=C2CCCC2=C1 BB32-2046 [1,0,0,1,0,0|1,0,0]=3 72 B14R2.2167 COC1=C(Cl)C=C2CCC(=O)C2=C1 BB31-6006 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.2167 COC1=C(F)C=C2CCC(=O)C2=C1 BB31-6013 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.2167 COC1=CC2=C(C=C1O)CCC2=O BB31-1784 [0,1,0,1,0,0|0,0,1]=3 75 B14R2.991 ClCCNC1=CC2=C(C=C1)OCO2 BB52-9527 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.991 NCCNC1=CC2=C(C=C1)OCO2 BB52-8967 [0,1,0,1,0,0|1,0,0]=3 77 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 BB52-9539 [0,1,0,1,0,0|1,0,0]=3