0  B4R0.1  CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,0,0]=3
1  B4R0.1  CC(O)=NN HMDB0060428 [1,0,0,0,0,0|3,0,0]=4
2  B4R0.1  CC(O)CO HMDB0001881 [1,0,0,0,0,0|1,0,1]=3
3  B4R0.1  NC(=O)NO HMDB0015140 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.2  C/C=C\C=O HMDB0034233 [1,0,0,0,0,0|0,0,2]=3
5  B6R0.4  CCCOC(C)=O HMDB0034237 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.4  OCCCC([O-])=O HMDB0015507 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.5  C[N+](C)(C)CCO HMDB0000097 [0,1,0,0,0,0|1,0,1]=3
8  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,0,0,1,0,0|2,0,1]=4
9  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|2,0,0]=4
10  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4
11  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,0]=3
12  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,0,1]=4
13  B5R0.3  OCC(S)CS HMDB0015677 [1,1,0,0,0,0|1,0,1]=4
14  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,1,0,0,0,0|2,0,0]=4
15  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.5  OC(=O)C(O)=O HMDB0002329 [1,1,0,0,0,0|2,0,0]=4
17  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|1,0,1]=4
18  B7R0.4  CC(C)CCON=O HMDB0001382 [0,2,0,0,0,0|0,0,2]=4