0  B6R0.6  CNCCCCN HMDB0003661 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.6  NCCCCCN HMDB0002322 [0,0,0,0,0,0|1,0,0]=1
2  B5R0.2  NCCCCN HMDB0001414 [1,0,0,0,0,0|0,0,0]=1
3  B7R0.4  NCCCCC(O)=O HMDB0003355 [0,1,0,0,0,0|2,0,1]=4
4  B4R0.2  CCCCO HMDB0004327 [2,0,0,0,0,0|1,0,0]=3
5  B6R1.1  C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|1,0,0]=3