pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.03999996185303	QSARToolbox	2	1	[NH3+]CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)O	[NH3+]CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)[O-]	mol38561	NCC(=O)NC(Cc1c[nH]cn1)C(=O)NCC(=O)O