pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.23000001907349	QSARToolbox	1	0	[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O	[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	mol37752	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
10.0100002288818	QSARToolbox	-1	-2	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	N[C@@H](Cc1ccccc1)C(=O)[N-][C@@H](Cc1ccc(O)cc1)C(=O)[O-],N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([O-])cc1)C(=O)[O-]	mol37752	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O