0  B5R1.1  C1CCNC1 HMDB0031641 [0,0,0,0,0,0|0,0,0]=0
1  B4R0.2  CCCCO HMDB0004327 [0,0,1,0,0,0|1,0,0]=2
2  B4R0.2  CSCC=C HMDB0031653 [0,0,1,0,0,0|1,0,2]=4
3  B4R0.2  CSSSC HMDB0013780 [0,0,1,0,0,0|3,0,0]=4
4  B4R0.2  OCCC=O HMDB0003453 [0,0,1,0,0,0|2,0,1]=4
5  B6R1.1  C1CCNCC1 HMDB0034301 [0,0,0,0,0,1|0,0,0]=1
6  B3R0.1  CCCO HMDB0000820 [1,0,1,0,0,0|1,0,0]=3
7  B5R0.1  CC(C)CCO HMDB0006007 [0,1,1,0,0,0|1,0,0]=3
8  B5R0.1  CCCC(O)=O HMDB0000039 [0,1,1,0,0,0|1,0,1]=4
9  B5R0.2  NCCCCN HMDB0001414 [0,1,1,0,0,0|0,0,0]=2