0 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [1,0,0,0,0,0|1,0,2]=4 3 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 MO07323 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 SB00910 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.78 CSC1=NC(C=O)=CC=C1C#N SPB04394 [0,1,0,0,0,0|2,1,0]=4 6 B12R1.300 COC1=CC(C=O)=CC(I)=C1O SB01117 [0,1,0,0,0,0|0,0,0]=1 7 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(F)C=C1 SB02056 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.453 O=CC1=CC=C(F)C(C(=O)O)=C1 MO07878 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.44 NCC1=CC=C2OCCC2=C1 CC00813 [0,0,0,1,0,0|2,0,1]=4 10 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 NP43115 [0,0,0,1,0,0|1,1,1]=4 11 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 CC45904 [0,0,0,1,0,0|2,0,1]=4 12 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CC07104 [0,0,0,1,0,0|1,0,1]=3 13 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CC00804 [0,0,0,1,0,0|1,0,0]=2 14 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 CC24804 [0,0,0,1,0,0|1,1,1]=4 15 B12R2.44 O=CC1=CC2=NSN=C2C=C1 CC09204 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [2,0,0,0,0,0|0,1,1]=4 17 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.15 COC1=CC=CN=C1Br NP43815 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 COC1=CC=CN=C1N NP45374 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.15 COC1=NC=CC=C1N SPB07839 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.189 COC1=CC=CC(N=C=S)=C1 TL00330 [1,1,0,0,0,0|0,1,1]=4 30 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.14 CC1=CC(C#N)=CC(C)=C1O RDP00227 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.14 O=CC1=CC(Cl)=C(O)C(Cl)=C1 RH00194 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.64 COC1=C(Br)SC=C1C(=O)O KM00596 [0,1,0,0,1,0|2,0,0]=4 35 B13R1.13 CC(=O)C1=CC=C(O)C(C(N)=O)=C1 SB01472 [0,2,0,0,0,0|2,0,0]=4 36 B13R1.354 C=CCC1=CC(C(C)=O)=CC=C1O KM05715 [0,2,0,0,0,0|1,0,1]=4 37 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 S03458 [0,2,0,0,0,0|0,1,1]=4 38 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 MAY00208 [0,2,0,0,0,0|1,0,0]=3 39 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [1,0,0,1,0,0|2,0,0]=4 40 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [1,0,0,1,0,0|2,0,0]=4 41 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 KM05976 [0,1,0,1,0,0|1,0,0]=3 42 B13R2.430 NC(=S)C1=CC=C2OCCC2=C1 SP00108 [0,1,0,1,0,0|1,1,0]=4 43 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CC07101 [0,1,0,1,0,0|1,0,1]=4 44 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CC00801 [0,1,0,1,0,0|1,0,0]=3 45 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 CC32804 [0,1,0,1,0,0|1,0,0]=3 46 B13R2.57 O=CC1=CC=C2OCCOC2=C1 CC01304 [0,1,0,1,0,0|0,0,0]=2 47 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 CC01309 [0,1,0,1,0,0|0,0,2]=4 48 B13R2.669 CN1C=CC2=C1C=C(C=O)C=C2 CC44204 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.2130 CN1CCC2=C1C=CC(C=O)=C2 CC58704 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 CC01646 [0,1,0,1,0,0|1,0,1]=4 51 B13R2.449 ClCCC1=CC2=C(C=C1)OCO2 CC50824 [0,1,0,1,0,0|1,0,1]=4 52 B13R2.449 O=C=NC1=CC2=C(C=C1)OCC2 CC00806 [0,1,0,1,0,0|1,0,1]=4 53 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 CC50809 [0,1,0,1,0,0|0,0,2]=4 54 B9R1.14 COC1=C(C=O)SC=C1 CC68604 [1,0,0,0,1,0|1,0,0]=3 55 B9R1.21 CSC1=CC=C(C=O)S1 SEW03493 [1,0,0,0,1,0|1,1,0]=4 56 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [1,0,0,0,1,0|2,0,0]=4