pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.88	IUPAC digitized pKa	0	-1	NC(=O)[C@@H](N)CCC(=O)O	NC(=O)[C@@H](N)CCC(=O)[O-]	mol5408	NC(=O)C(N)CCC(=O)O
8.27	Datawarrior	0	-1	NC(=O)[C@@H](N)CCC(=O)O	NC(=O)[C@@H](N)CCC(=O)[O-]	mol5408	NC(=O)C(N)CCC(=O)O
3.81	IUPAC digitized pKa	1	0	NC(=O)[C@@H]([NH3+])CCC(=O)O	NC(=O)[C@@H](N)CCC(=O)O	mol5408	NC(=O)C(N)CCC(=O)O
3.01	Datawarrior	1	0	NC(=O)[C@@H]([NH3+])CCC(=O)O	NC(=O)[C@@H](N)CCC(=O)O	mol5408	NC(=O)C(N)CCC(=O)O