pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.06	IUPAC digitized pKa	2	1	NC(=[NH+]O)[C@@H]([NH3+])Cc1ccccc1	NC(=NO)[C@@H]([NH3+])Cc1ccccc1	mol5441	NC(=NO)C(N)Cc1ccccc1
7.0599999	OCHEM	2	1	NC(=[NH+]O)[C@@H]([NH3+])Cc1ccccc1	NC(=NO)[C@@H]([NH3+])Cc1ccccc1	mol5441	NC(=NO)C(N)Cc1ccccc1
7.05999994277954	QSARToolbox	2	1	NC(=[NH+]O)[C@@H]([NH3+])Cc1ccccc1	NC(=NO)[C@@H]([NH3+])Cc1ccccc1	mol5441	NC(=NO)C(N)Cc1ccccc1