pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.00999999046326	QSARToolbox	1	0	NC(=[OH+])NC(C(=O)O)(c1ccccc1)c1ccccc1	NC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1	mol29389	NC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1
3.01	AttenGpKa training set	1	0	NC(=[OH+])NC(C(=O)O)(c1ccccc1)c1ccccc1	NC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1	mol29389	NC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1