0  B5R0.3  NCC(=O)O[Al] HMDB0015457 [1,0,0,0,0,0|3,0,0]=4
1  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,1,0,0,0,0|2,0,0]=3
2  B7R0.7  CN(CCCl)CCCl HMDB0015025 [0,1,0,0,0,0|3,0,0]=4
3  B7R1.4  NN1CCOC1=O HMDB0060739 [0,0,0,1,0,0|3,0,0]=4
4  B7R1.4  N[C@@H]1CONC1=O HMDB0014405 [0,0,0,1,0,0|3,0,0]=4
5  B4R0.1  CC(=O)NO HMDB0014691 [2,0,0,0,0,0|2,0,0]=4
6  B4R0.2  C/C=C\C=O HMDB0034233 [2,0,0,0,0,0|0,0,2]=4
7  B6R0.3  CC[C@H](N)C(O)=O HMDB0000452 [1,1,0,0,0,0|1,0,0]=3
8  B6R0.3  N[C@@H](CS)C(O)=O HMDB0000574 [1,1,0,0,0,0|2,0,0]=4
9  B6R0.4  CCCOC(C)=O HMDB0034237 [1,1,0,0,0,0|0,0,0]=2
10  B6R0.4  OCCCC([O-])=O HMDB0015507 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.6  ClCCNCCCl HMDB0060688 [1,1,0,0,0,0|2,0,0]=4
12  B6R0.6  OCCNCCO HMDB0004437 [1,1,0,0,0,0|2,0,0]=4
13  B6R1.1  C1CNCCN1 HMDB0014730 [1,0,0,1,0,0|2,0,0]=4
14  B8R1.1  OC1CCN(C1)N=O HMDB0061163 [0,1,0,1,0,0|2,0,0]=4
15  B8R1.2  O=NC1CCNCC1 HMDB0061162 [0,1,0,1,0,0|1,0,1]=4