0  B6R0.6  CNCCCCN HMDB0003661 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.6  NCCCCCN HMDB0002322 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.2  NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.4  NCCCCC(O)=O HMDB0003355 [0,1,0,0,0,0|2,0,0]=3
4  B4R0.2  CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,1]=3
5  B4R0.2  CSCC=C HMDB0031653 [2,0,0,0,0,0|0,0,1]=3
6  B4R0.2  CSSSC HMDB0013780 [2,0,0,0,0,0|2,0,0]=4
7  B4R0.2  OCCC=O HMDB0003453 [2,0,0,0,0,0|0,1,0]=3
8  B6R0.4  OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|0,1,0]=3
9  B8R0.7  CC(=O)NCCCCN HMDB0002064 [0,2,0,0,0,0|2,0,0]=4
10  B8R0.28  OC(=O)CCCC(O)=O HMDB0000661 [0,2,0,0,0,0|2,0,0]=4
11  B6R1.1  C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|1,0,1]=4
12  B8R1.7  OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|2,0,0]=4