0 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.59 CC(=O)N1CC(C)=CC1=O BTB09313 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 MO00751 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.59 CC1=NC(C(=O)Cl)=C(C)O1 CC26802 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CC26801 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.59 CC1=NN(C)C(C(N)=S)=C1 CC12518 [0,0,0,0,0,0|3,1,0]=4 9 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.22 CN1C=C(C=O)C(N)=N1 MO07854 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 CC1=NOC(C(=O)Cl)=C1 CC27002 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 CN1C=C(C(=O)Cl)C=N1 CC77402 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.41 CC1=C(C(=O)Cl)OC=N1 CC10002 [1,0,0,0,0,0|1,1,0]=3 20 B9R1.41 CC1=C(C(=O)Cl)SN=N1 CC02302 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.41 CC1=C(C(=O)O)SN=N1 CC02301 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C CC08601 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O CC14701 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.673 CC1=NN(C)C(Cl)=C1C(=O)O MO00061 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 TL01023 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [2,0,0,0,0,0|0,0,0]=2 41 B8R1.11 CN1N=CC=C1C=O CC62304 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.35 CCC1=NC(C)=C(C=O)N1 SB01365 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.256 CC1=NN(C)C(C)=C1C=O CC14704 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.256 CC1=NN(C)C(Cl)=C1C=O EN00019 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.31 CC(=O)C1=CC=C(C=O)S1 MO01240 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.149 COC(=O)C1=C(Br)C=CS1 SEW02691 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.358 COC(=O)C1=CC(C)=NC(Cl)=N1 SPB06334 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 CD00248 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.532 COC(=O)CC1=C(C)SC(C)=N1 TL01020 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 MO00750 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.313 CCOC(=O)C1=C(C)N=C(Cl)S1 MO07617 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,0,1,1,0,0|1,0,1]=4 61 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [1,0,0,0,0,1|2,0,0]=4 62 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [1,0,0,0,0,1|2,0,0]=4