0  B4R0.1  CC(=O)NO HMDB0014691 [1,0,0,0,0,0|2,1,0]=4
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|1,1,1]=4
3  B4R0.2  C/C=C\C=O HMDB0034233 [1,0,0,0,0,0|0,1,1]=3
4  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.4  CCCOC(C)=O HMDB0034237 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.5  C[N+](C)(C)CCO HMDB0000097 [0,1,0,0,0,0|1,1,1]=4
7  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,0,0,1,0,0|2,0,1]=4
8  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|2,0,0]=4
9  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,1,1]=4
10  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,1,0]=4
11  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,1,0]=4
12  B5R0.3  OCC(S)CS HMDB0015677 [1,1,0,0,0,0|1,0,1]=4