0  B9R1.23  CC1=C(C)SC(C=O)=N1 215655 [0,0,0,0,0,0|1,0,3]=4
1  B9R1.23  CCC1=NC(C)=C(C)S1 009626 [0,0,0,0,0,0|0,0,2]=2
2  B9R1.23  CCN1C=C(Br)C(C)=N1 026156 [0,0,0,0,0,0|3,0,1]=4
3  B8R1.1  CCC1=NC=C(C)N1 403581 [1,0,0,0,0,0|1,0,2]=4
4  B8R1.1  CNC1=NCC(C)S1 180081 [1,0,0,0,0,0|1,0,2]=4
5  B8R1.18  CC1=C(C)SC(N)=N1 014135 [1,0,0,0,0,0|1,0,2]=4
6  B8R1.18  CC1=C(C)SC(N)=N1 209385 [1,0,0,0,0,0|1,0,2]=4
7  B8R1.18  CC1=C(C)SC(S)=N1 009921 [1,0,0,0,0,0|1,0,2]=4
8  B8R1.18  CC1=NC(C)=C(Br)S1 067367 [1,0,0,0,0,0|1,0,2]=4
9  B10R1.58  CC1=C(C)SC(C(C)C)=N1 009625 [0,1,0,0,0,0|0,0,2]=3
10  B8R0.8  CCCCC(C)C(=O)O 038355 [0,0,1,0,0,0|3,0,0]=4
11  B7R0.4  CCCCCC(C)=O 104307 [1,0,1,0,0,0|2,0,0]=4
12  B7R0.4  CCCSCC(=O)O 311047 [1,0,1,0,0,0|2,0,0]=4
13  B7R0.5  CCCC(C)C(=O)Cl 014675 [1,0,1,0,0,0|2,0,0]=4
14  B7R0.5  CCCC(C)C(=O)O 239960 [1,0,1,0,0,0|2,0,0]=4
15  B7R0.5  CCCC(C)C(N)=O 103248 [1,0,1,0,0,0|1,0,1]=4
16  B7R0.5  CCOC(=O)C(C)S 101529 [1,0,1,0,0,0|2,0,0]=4
17  B7R0.12  CCC(CC)N=C=S 009559 [1,0,1,0,0,0|1,0,1]=4
18  B7R1.2  CC1=CSC(C)=N1 002760 [2,0,0,0,0,0|0,0,2]=4
19  B7R1.4  CC1=C(C)SC=N1 002761 [2,0,0,0,0,0|0,0,2]=4
20  B9R1.22  CCN1N=C(C)CC1=O 180064 [1,1,0,0,0,0|2,0,0]=4
21  B9R1.35  CC1=CSC(C(C)C)=N1 009624 [1,1,0,0,0,0|0,0,2]=4
22  B9R1.6  CC(=O)C1CCCCC1 045203 [0,0,1,1,0,0|2,0,0]=4