0  B6R0.5  CCOS(O)(=O)=O HMDB0031233 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.5  OS(=O)(=O)ON=O HMDB0034828 [0,0,0,0,0,0|2,1,0]=3
2  B5R0.1  CC(=O)CCS HMDB0041015 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.1  CC(C)CCS HMDB0033902 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  CC(O)CCO HMDB0031320 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.1  CC(O)CCS HMDB0041475 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.1  CC(S)CCS HMDB0033552 [1,0,0,0,0,0|2,1,0]=4
7  B5R0.1  CCCC(C)=O HMDB0034235 [1,0,0,0,0,0|3,0,0]=4
8  B5R0.1  CCCC(C)O HMDB0031599 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.1  CCCC(N)=O HMDB0033870 [1,0,0,0,0,0|3,0,0]=4
10  B5R0.1  CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|2,0,0]=3
11  B5R0.1  CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|3,0,0]=4
12  B5R0.1  OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|2,0,0]=3
13  B5R0.1  OC(=O)CCS HMDB0041604 [1,0,0,0,0,0|1,0,0]=2
14  B5R0.4  CCC(C)(C)O HMDB0033772 [1,0,0,0,0,0|3,0,0]=4
15  B5R0.4  CSS(C)(=O)=O HMDB0031832 [1,0,0,0,0,0|2,0,0]=3
16  B7R0.8  C/C=C/SS(O)(=O)=O HMDB0041079 [0,1,0,0,0,0|1,0,2]=4
17  B7R0.8  CCCSS(O)(=O)=O HMDB0041066 [0,1,0,0,0,0|1,0,0]=2
18  B4R0.1  CC(=O)CS HMDB0030025 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.1  CCC(O)=O HMDB0000237 [2,0,0,0,0,0|1,0,0]=3
20  B4R0.1  OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.2  CCCCS HMDB0031322 [2,0,0,0,0,0|2,0,0]=4
22  B4R0.2  CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,1]=4
23  B4R0.2  SCCCS HMDB0031632 [2,0,0,0,0,0|1,1,0]=4
24  B4R0.3  NS(O)(=O)=O HMDB0034830 [2,0,0,0,0,0|1,0,0]=3
25  B6R0.1  CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.2  CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.2  CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.2  CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.3  CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|2,0,0]=4
30  B6R0.3  CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|2,0,0]=4
31  B6R0.3  OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|1,1,0]=4
32  B6R0.4  CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|2,0,0]=4
33  B6R0.4  CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|2,0,0]=4
34  B6R0.4  CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|2,0,0]=4
35  B6R0.4  CSCCC(C)O HMDB0041476 [1,1,0,0,0,0|2,0,0]=4
36  B6R0.4  CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|1,0,0]=3
37  B6R0.4  NCCNN(=O)=O HMDB0031226 [1,1,0,0,0,0|2,0,0]=4
38  B6R0.4  OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|2,0,0]=4
39  B6R0.4  OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|1,1,0]=4
40  B6R1.2  O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|2,0,0]=4
41  B8R1.51  BrC1CCS(=O)(=O)C1 HMDB0040457 [0,1,0,1,0,0|2,0,0]=4