pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.45000004768372	QSARToolbox	2	1	[NH3+][C@@H](CC(=O)O)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)O	[NH3+][C@@H](CC(=O)O)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-],[NH3+][C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)O	mol37700	N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O