0  B7R1.1  CNC1=NC=CS1 077682 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.1  CSC1=CSC=C1 068554 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.1  CCC1=NN=C(Br)S1 070745 [0,1,0,0,0,0|3,0,0]=4
3  B8R1.1  SCC1=CN=C(Cl)S1 080205 [0,1,0,0,0,0|1,1,0]=3
4  B8R1.8  BrCCC1=CSC=C1 043805 [0,1,0,0,0,0|3,0,0]=4
5  B8R1.2  COC1=CC=CC=C1 M03556 [0,0,0,0,0,1|3,0,0]=4
6  B8R1.2  NCC1=CC=CC=C1 098408 [0,0,0,0,0,1|2,0,0]=3
7  B8R1.2  [15NH2]CC1=CC=CC=C1 105185 [0,0,0,0,0,1|2,0,0]=3
8  B7R1.2  CC1=CN=C(Cl)S1 092987 [1,1,0,0,0,0|1,0,0]=3
9  B9R1.1  CC1=CC=C(CS)C=C1 105406 [0,1,0,0,0,1|1,1,0]=4
10  B9R1.1  CC1=CN=C(CN)C=C1 065464 [0,1,0,0,0,1|2,0,0]=4
11  B9R1.2  CC1=CC=CC(CS)=C1 105403 [0,1,0,0,0,1|1,1,0]=4
12  B9R1.6  CC(N)C1=CC=CC=N1 300972 [0,1,0,0,0,1|2,0,0]=4
13  B9R1.8  COCC1=CC=NC=C1 097899 [0,1,0,0,0,1|1,0,0]=3
14  B9R1.8  [C-]#[N+]CC1=CC=CC=C1 480957 [0,1,0,0,0,1|2,0,0]=4
15  B9R1.15  CC1=C(CS)C=CC=C1 105405 [0,1,0,0,0,1|1,1,0]=4
16  B9R1.7  CC1=CC=C(CCS)S1 400344 [0,2,0,0,0,0|0,1,0]=3
17  B9R1.7  COCC1=CN=C(Cl)S1 080206 [0,2,0,0,0,0|1,0,0]=3
18  B9R1.35  CC(=O)C1=CC(Cl)=CS1 033141 [0,2,0,0,0,0|0,0,2]=4
19  B9R1.35  CC1=CNC(C(=O)O)=C1 040049 [0,2,0,0,0,0|1,0,1]=4
20  B9R1.35  O=C(O)C1=CC(Cl)=CN1 237313 [0,2,0,0,0,0|1,0,1]=4
21  B9R1.35  O=S([O-])C1=CC=C(Br)S1 035601 [0,2,0,0,0,0|1,0,1]=4
22  B9R1.132  N#CC1=C(Br)C(Br)=CS1 105333 [0,2,0,0,0,0|1,0,1]=4