0  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|1,1,1]=3
2  B5R0.5  OC(=O)C(O)=O HMDB0002329 [1,0,0,0,0,0|0,0,0]=1
3  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|1,1,1]=4
4  B7R1.4  NN1CCOC1=O HMDB0060739 [0,0,0,1,0,0|3,0,0]=4
5  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|0,0,2]=4