0  B8R0.2  CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [1,0,0,0,0,0|1,0,0]=2
2  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [1,0,0,0,0,0|1,0,0]=2
3  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [1,0,0,0,0,0|1,0,0]=2
4  B6R0.4  CCCOC(C)=O HMDB0034237 [2,0,0,0,0,0|2,0,0]=4
5  B6R0.4  OCCCC([O-])=O HMDB0015507 [2,0,0,0,0,0|1,0,1]=4
6  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [2,0,0,0,0,0|0,0,0]=2
7  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [2,0,0,0,0,0|1,0,0]=3
8  B8R0.8  CSCC[C@H](N)C(O)=O HMDB0000696 [1,1,0,0,0,0|0,0,0]=2
9  B8R0.27  CC(C)(S)C(N)C(O)=O HMDB0014997 [1,1,0,0,0,0|0,0,0]=2
10  B10R0.30  CCCC(C(O)CC)C(O)=O HMDB0013899 [0,2,0,0,0,0|2,0,0]=4
11  B8R1.7  OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|0,0,0]=2
12  B10R1.475  CCC1(C)OC(=O)N=C1O HMDB0061082 [0,0,0,1,0,1|1,0,1]=4