0  B5R0.3  OCC(S)CS HMDB0015677 [0,0,0,0,0,0|0,2,0]=2
1  B4R0.1  CC(=O)NO HMDB0014691 [1,0,0,0,0,0|1,0,2]=4
2  B4R0.1  CC(O)=NN HMDB0060428 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  CC(O)CO HMDB0001881 [1,0,0,0,0,0|0,0,0]=1
4  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|1,1,1]=4
6  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
7  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|0,0,2]=4
8  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,0,1]=4
9  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,1,0,0,0,0|0,0,2]=4
10  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [1,1,0,0,0,0|0,0,0]=2
11  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,2,0,0,0,0|1,0,1]=4
12  B7R0.16  OC(C(O)=O)C(O)=O HMDB0035227 [0,2,0,0,0,0|0,0,2]=4
13  B5R1.3  ClCC1CO1 HMDB0014796 [1,0,0,1,0,0|1,0,0]=3