pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.05	AttenGpKa training set	0	-1	N[C@@H](Cc1ccccc1)C(=O)NO	N[C@@H](Cc1ccccc1)C(=O)N[O-],N[C@@H](Cc1ccccc1)C(=O)[N-]O	mol31423	NC(Cc1ccccc1)C(=O)NO
6.78000020980835	QSARToolbox	1	0	[NH3+][C@@H](Cc1ccccc1)C(=O)NO	N[C@@H](Cc1ccccc1)C(=O)NO	mol31423	NC(Cc1ccccc1)C(=O)NO
6.9	AttenGpKa training set	1	0	[NH3+][C@@H](Cc1ccccc1)C(=O)NO	N[C@@H](Cc1ccccc1)C(=O)NO	mol31423	NC(Cc1ccccc1)C(=O)NO