0  B5R0.3  NCC(=O)O[Al] HMDB0015457 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.3  OCC(S)CS HMDB0015677 [0,0,0,0,0,0|0,2,1]=3
2  B4R0.1  CC(=O)NO HMDB0014691 [1,0,0,0,0,0|1,0,0]=2
3  B4R0.1  CC(O)=NN HMDB0060428 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  CC(O)CO HMDB0001881 [1,0,0,0,0,0|0,0,2]=3
5  B4R0.1  NC(=O)NO HMDB0015140 [1,0,0,0,0,0|2,0,0]=3
6  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3
7  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
9  B3R0.2  CC(O)=O HMDB0000042 [2,0,0,0,0,0|0,0,0]=2
10  B3R0.2  CS(C)=O HMDB0002151 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.5  CC(O)C([O-])=O HMDB0015671 [1,1,0,0,0,0|0,0,1]=3
12  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [1,1,0,0,0,0|0,0,2]=4
13  B5R0.5  OC(=O)C(O)=O HMDB0002329 [1,1,0,0,0,0|0,0,1]=3
14  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|1,0,0]=3
15  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,1,0,1,0,0|2,0,0]=4