pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.41	IUPAC digitized pKa	0	-1	CC(=O)c1cccc(=O)c(O)c1	CC(=O)c1cccc(=O)c([O-])c1	mol10841	CC(=O)c1cccc(=O)c(O)c1
6.16	Datawarrior	0	-1	CC(=O)c1cccc(=O)c(O)c1	CC(=O)c1cccc(=O)c([O-])c1	mol10841	CC(=O)c1cccc(=O)c(O)c1
6.1599998	OCHEM	0	-1	CC(=O)c1cccc(=O)c(O)c1	CC(=O)c1cccc(=O)c([O-])c1	mol10841	CC(=O)c1cccc(=O)c(O)c1
5.6	AttenGpKa training set	0	-1	CC(=O)c1cccc(=O)c(O)c1	CC(=O)c1cccc(=O)c([O-])c1	mol10841	CC(=O)c1cccc(=O)c(O)c1