0  B6R0.1  CCCC(=O)CC HMDB0000753 [0,0,0,0,0,0|0,0,2]=2
1  B6R0.1  CCCC(=O)CO HMDB0059678 [0,0,0,0,0,0|1,0,2]=3
2  B5R0.1  C=CCS(C)=O HMDB0112254 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.1  CCCC(=O)O HMDB0000039 [1,0,0,0,0,0|1,0,2]=4
4  B5R0.1  CCCC(C)=O HMDB0034235 [1,0,0,0,0,0|0,0,2]=3
5  B5R0.1  CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|1,0,1]=3
6  B5R0.1  CNCC(=O)O HMDB0000271 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.3  O=C(CO)CO HMDB0001882 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.7  CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|0,0,2]=3
10  B7R1.1  OCC1=CC=CO1 HMDB0013742 [0,0,0,1,0,0|1,0,2]=4
11  B7R1.2  CC1CCC(=O)O1 HMDB0033840 [0,0,0,1,0,0|1,0,1]=3
12  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,0,0,1,0,0|3,0,0]=4
13  B4R0.1  CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,0]=3
14  B4R0.1  CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3
15  B4R0.1  CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,0]=3
16  B4R0.1  CC(=O)NO HMDB0014691 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.1  CCC(=O)O HMDB0000237 [2,0,0,0,0,0|1,0,0]=3
18  B4R0.1  CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,0]=2
19  B4R0.1  NCC(=O)O HMDB0000123 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.1  O=C(O)CO HMDB0000115 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.1  O=CC(=O)O HMDB0000119 [2,0,0,0,0,0|2,0,0]=4
22  B4R0.2  C=CCSC HMDB0031653 [2,0,0,0,0,0|1,0,1]=4
23  B4R0.2  O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4
24  B6R0.2  C=C(C)CC(=O)O HMDB0170858 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.2  CC(=O)CC(=O)O HMDB0000060 [1,1,0,0,0,0|1,0,1]=4
26  B6R0.2  CC(=O)CC(C)C HMDB0002939 [1,1,0,0,0,0|0,0,2]=4
27  B6R0.2  CC(C)=CC(=O)O HMDB0000509 [1,1,0,0,0,0|1,0,0]=3
28  B6R0.3  CCC(=O)C(=O)O HMDB0000005 [1,1,0,0,0,0|1,0,1]=4
29  B6R0.4  CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,0,2]=4
30  B8R0.2  CCC(=O)C(C)C(=O)O HMDB0000408 [0,2,0,0,0,0|1,0,1]=4
31  B8R0.9  CCC(=O)NCC(=O)O HMDB0000783 [0,2,0,0,0,0|1,0,1]=4
32  B6R1.2  CC1=CC=CO1 HMDB0013749 [1,0,0,1,0,0|0,0,2]=4
33  B8R1.1  CSC1=CC=C(C)O1 HMDB0041566 [0,1,0,1,0,0|1,0,1]=4
34  B8R1.4  O=C1CCNC(=O)N1 HMDB0000076 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.18  CN1CC(=O)NC1=N HMDB0000562 [0,1,0,1,0,0|2,0,0]=4
36  B8R1.18  CN1CC(=O)NC1=O HMDB0003646 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.8  NCCC1=CC=NN1 HMDB0014417 [0,1,0,1,0,0|2,0,0]=4