pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.95	Datawarrior	1	0	COC(=O)[C@H]([NH3+])CCONC(N)=O	COC(=O)[C@H](N)CCONC(N)=O	mol13707	COC(=O)C(N)CCONC(N)=O
6.9499998	OCHEM	1	0	COC(=O)[C@H]([NH3+])CCONC(N)=O	COC(=O)[C@H](N)CCONC(N)=O	mol13707	COC(=O)C(N)CCONC(N)=O
6.94999980926514	QSARToolbox	1	0	COC(=O)[C@H]([NH3+])CCONC(N)=O	COC(=O)[C@H](N)CCONC(N)=O	mol13707	COC(=O)C(N)CCONC(N)=O