0  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|1,0,2]=3
1  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.5  OC(=O)C(O)=O HMDB0002329 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|1,0,2]=4
5  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [0,1,0,0,0,0|1,0,2]=4
6  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,1,0,0,0,0|1,0,2]=4
7  B7R0.16  OC(C(O)=O)C(O)=O HMDB0035227 [0,1,0,0,0,0|2,0,1]=4
8  B7R1.4  NN1CCOC1=O HMDB0060739 [0,0,0,1,0,0|2,0,1]=4
9  B7R1.19  NC1(CC1)C(O)=O HMDB0036458 [0,0,0,1,0,0|1,0,2]=4
10  B4R0.1  CC(=O)NO HMDB0014691 [2,0,0,0,0,0|2,0,0]=4
11  B4R0.1  CC(O)=NN HMDB0060428 [2,0,0,0,0,0|2,0,0]=4
12  B4R0.2  C/C=C\C=O HMDB0034233 [2,0,0,0,0,0|0,0,0]=2
13  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|1,0,1]=4
14  B8R0.2  CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,1,0,0,0,1|0,0,2]=4
15  B8R1.7  OC(=O)C1=CNN=C1 HMDB0060760 [0,1,0,1,0,0|1,0,1]=4
16  B8R1.7  OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|0,0,2]=4