pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6000003814697	QSARToolbox	0	-1	NC(=O)c1ccccc1	[NH-]C(=O)c1ccccc1	mol3439	NC(=O)c1ccccc1
13.0	QSARToolbox	0	-1	NC(=O)c1ccccc1	[NH-]C(=O)c1ccccc1	mol3439	NC(=O)c1ccccc1
13.82	AttenGpKa training set	0	-1	NC(=O)c1ccccc1	[NH-]C(=O)c1ccccc1	mol3439	NC(=O)c1ccccc1
-1.863333333	AttenGpKa training set	1	0	NC(=[OH+])c1ccccc1	NC(=O)c1ccccc1	mol3439	NC(=O)c1ccccc1
5.0	AttenGpKa training set	1	0	NC(=[OH+])c1ccccc1	NC(=O)c1ccccc1	mol3439	NC(=O)c1ccccc1