pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Datawarrior	0	-1	CC(=O)Nc1ccc(O)cc1	CC(=O)Nc1ccc([O-])cc1	mol2320	CC(=O)Nc1ccc(O)cc1
9.38	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(=O)Nc1ccc(O)cc1	CC(=O)Nc1ccc([O-])cc1	mol2320	CC(=O)Nc1ccc(O)cc1
9.63	OCHEM	0	-1	CC(=O)Nc1ccc(O)cc1	CC(=O)Nc1ccc([O-])cc1	mol2320	CC(=O)Nc1ccc(O)cc1
9.52	OCHEM	0	-1	CC(=O)Nc1ccc(O)cc1	CC(=O)Nc1ccc([O-])cc1	mol2320	CC(=O)Nc1ccc(O)cc1
9.58	AttenGpKa training set	0	-1	CC(=O)Nc1ccc(O)cc1	CC(=O)Nc1ccc([O-])cc1	mol2320	CC(=O)Nc1ccc(O)cc1
0.0	Baltruschat ChEMBL	1	0	CC(=[OH+])Nc1ccc(O)cc1	CC(=O)Nc1ccc(O)cc1	mol2320	CC(=O)Nc1ccc(O)cc1