0 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.3 COC1=CC=C(C#N)C=N1 SPB04785 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,0,0,0,0,0|0,1,1]=3 4 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 O=CC1=CN=C(Cl)N=C1 NP43845 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SB00932 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.83 C#CC1=CC=C(CCC)C=C1 BTB09905 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.83 CCC1=CC=C(CNC)C=C1 MO00891 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.83 CNCC1=CC=C(OC)C=C1 MO00889 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.83 COC1=CC=C(N=C=S)C=C1 TL00326 [0,1,0,0,0,0|0,1,1]=3 15 B11R1.83 N#CC1=CC=C(CCO)C=C1 TL00139 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.21 CSC1=CC=C(C=O)S1 SEW03493 [0,0,0,0,1,0|1,1,0]=3 17 B9R1.21 N#CC1=CC=C(C=O)S1 MAY00111 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [2,0,0,0,0,0|1,0,1]=4 19 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,1,0,0,0,0|0,0,2]=4 23 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [1,1,0,0,0,0|1,1,0]=4 29 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.31 CC(=O)C1=CC=C(C=O)S1 MO01240 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,1,0|1,1,0]=4 33 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 CD00356 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 RH01075 [0,2,0,0,0,0|0,0,1]=3 35 B12R1.6 CCC1=CC=C(S(=O)(=O)Cl)C=C1 BTB10241 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.6 COC1=NC=C(S(=O)(=O)Cl)C=C1 NP42941 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.48 CN(C)C1=CC(Cl)=C(C=O)C=C1 SEW05671 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 MO00894 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=N1 RJC01057 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.71 CCCOC1=CC=C(C#N)C=C1 BTB09860 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.71 COC1=CC=C(OCCN)C=C1 BTB10107 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 SB01663 [0,2,0,0,0,0|0,1,1]=4 44 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 SB00910 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.450 COC1=CC(C)=C(OC)C=C1I RH01788 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.450 COC1=CC(F)=C(C=O)C=C1F MAY00189 [0,2,0,0,0,0|0,0,0]=2 47 B12R2.44 NCC1=CC=C2OCCC2=C1 CC00813 [0,1,0,1,0,0|1,0,1]=4 48 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 NP43115 [0,1,0,1,0,0|1,0,1]=4 49 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 CC45904 [0,1,0,1,0,0|1,0,1]=4 50 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CC07104 [0,1,0,1,0,0|0,0,1]=3 51 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CC00804 [0,1,0,1,0,0|0,0,0]=2 52 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 CC24804 [0,1,0,1,0,0|0,1,1]=4 53 B12R2.44 O=CC1=CC2=NSN=C2C=C1 CC09204 [0,1,0,1,0,0|1,1,0]=4 54 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [1,0,0,0,1,0|2,0,0]=4 56 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [1,0,0,0,1,0|2,0,0]=4 59 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,0,0,0,1,0|2,0,0]=4 60 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [0,0,0,0,1,1|2,0,0]=4 61 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [0,0,0,0,1,1|2,0,0]=4