0 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.11 CC1=C(CN)OC=C1 CC55513 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.11 CC1=C(CO)C=CO1 CD10514 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.11 CN1N=CC=C1C=O CC62304 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.11 CN1N=CC=C1CO CC62309 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 C#CC1=CC=CS1 CC13047 [1,0,0,0,0,0|1,0,2]=4 11 B7R1.1 NCC1=CN=CS1 MO08602 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 O=CC1=CNC=N1 CC08804 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.4 CN1N=CC=C1I CC62311 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.4 CN1N=CC=C1N GK03066 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.4 ClC1=C(Br)C=CS1 AC25875 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.14 COC1=C(C=O)SC=C1 CC68604 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.14 COC1=C(CN)SC=C1 CC68613 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.27 CC1=COC(C)=C1C=O CC65804 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.27 CC1=NOC(C)=C1C=O CC00604 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.27 CN1N=CC(Br)=C1C=O MO00866 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.41 CC1=C(C(=O)Cl)OC=N1 CC10002 [0,1,0,0,0,0|1,1,0]=3 25 B9R1.41 CC1=C(C(=O)Cl)SN=N1 CC02302 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [0,1,0,0,0,0|1,1,0]=3 27 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.41 CC1=C(C(=O)O)SN=N1 CC02301 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [0,0,0,0,0,1|3,0,0]=4 33 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,1,0,0,0,0|2,0,0]=4 35 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,1,0,0,0,1|1,0,1]=4 37 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.35 CCC1=NC(C)=C(C=O)N1 SB01365 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 MO00751 [0,2,0,0,0,0|1,0,0]=3 41 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,2,0,0,0,0|1,0,0]=3 42 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [0,0,1,1,0,0|2,0,0]=4 43 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [0,0,1,1,0,0|2,0,0]=4 44 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [0,0,1,1,0,0|2,0,0]=4 45 B8R1.4 CC1=CC(Cl)=NC=N1 NP45412 [0,0,1,1,0,0|2,0,0]=4 46 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [0,0,1,1,0,0|2,0,0]=4