0  B3R0.1  C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3
1  B3R0.1  C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4
2  B3R0.1  NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4
3  B7R0.3  NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|1,0,0]=3
4  B7R0.5  NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|2,0,0]=4
5  B7R0.4  NCCOCC([O-])=O HMDB0060587 [0,2,0,0,0,0|1,0,0]=3
6  B7R1.4  NN1CCOC1=O HMDB0060739 [0,1,0,1,0,0|1,0,0]=3