0  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|2,0,0]=2
2  B5R0.3  OCC(S)CS HMDB0015677 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,0,0,0,0,0|1,0,1]=3
4  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.5  OC(=O)C(O)=O HMDB0002329 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|1,0,0]=2
7  B7R0.5  NCCC(N)C(O)=O HMDB0002362 [0,1,0,0,0,0|1,0,0]=2
8  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,1,0,0,0,0|1,0,0]=2
9  B7R0.16  OC(C(O)=O)C(O)=O HMDB0035227 [0,1,0,0,0,0|2,0,1]=4
10  B7R1.4  NN1CCOC1=O HMDB0060739 [0,0,0,1,0,0|2,0,0]=3
11  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,0,0,1,0,0|3,0,0]=4
12  B7R1.19  NC1(CC1)C(O)=O HMDB0036458 [0,0,0,1,0,0|1,0,0]=2
13  B4R0.1  CC(O)CO HMDB0001881 [2,0,0,0,0,0|1,0,0]=3
14  B4R0.2  C/C=C\C=O HMDB0034233 [2,0,0,0,0,0|0,0,2]=4
15  B6R0.2  OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.4  CCCOC(C)=O HMDB0034237 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.4  OCCCC([O-])=O HMDB0015507 [1,1,0,0,0,0|0,0,1]=3
18  B6R0.7  OC(=O)C(F)(F)F HMDB0014118 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.2  CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,1,0,0,0,1|0,0,0]=2
20  B8R0.8  CSCC[C@H](N)C(O)=O HMDB0000696 [0,2,0,0,0,0|1,0,0]=3
21  B8R0.27  CC(C)(S)C(N)C(O)=O HMDB0014997 [0,2,0,0,0,0|1,0,0]=3
22  B8R1.7  OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|0,0,0]=2
23  B8R1.21  C[C@@H]1O[C@@H]1P(O)(O)=O HMDB0014966 [0,1,0,1,0,0|2,0,0]=4