pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	IUPAC digitized pKa	0	-1	NC(=O)[C@@H]([NH3+])CC(=O)[O-]	NC(=O)[C@@H](N)CC(=O)[O-]	mol5407	NC(=O)[C@@H](N)CC(=O)O
8.02	IUPAC digitized pKa	0	-1	NC(=O)[C@@H]([NH3+])CC(=O)[O-]	NC(=O)[C@@H](N)CC(=O)[O-]	mol5407	NC(=O)[C@@H](N)CC(=O)O
2.97	IUPAC digitized pKa	1	0	NC(=O)[C@@H]([NH3+])CC(=O)O	NC(=O)[C@@H]([NH3+])CC(=O)[O-]	mol5407	NC(=O)[C@@H](N)CC(=O)O
2.97000002861023	QSARToolbox	1	0	NC(=O)[C@@H]([NH3+])CC(=O)O	NC(=O)[C@@H]([NH3+])CC(=O)[O-]	mol5407	NC(=O)[C@@H](N)CC(=O)O