pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.06	IUPAC digitized pKa	1	0	NNC(=O)[C@@H]([NH3+])Cc1ccccc1	NNC(=O)[C@@H](N)Cc1ccccc1	mol5442	NNC(=O)C(N)Cc1ccccc1
7.0599999	OCHEM	1	0	NNC(=O)[C@@H]([NH3+])Cc1ccccc1	NNC(=O)[C@@H](N)Cc1ccccc1	mol5442	NNC(=O)C(N)Cc1ccccc1
7.05999994277954	QSARToolbox	1	0	NNC(=O)[C@@H]([NH3+])Cc1ccccc1	NNC(=O)[C@@H](N)Cc1ccccc1	mol5442	NNC(=O)C(N)Cc1ccccc1