pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.64999997615814	QSARToolbox	2	1	[NH3+][C@@H](Cc1[nH+]c[nH]c1I)C(=O)O	[NH3+][C@@H](Cc1[nH+]c[nH]c1I)C(=O)[O-]	mol37753	N[C@@H](Cc1nc[nH]c1I)C(=O)O