pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	Datawarrior	0	-1	COc1ccc(C(=O)O)c(C)c1	COc1ccc(C(=O)[O-])c(C)c1	mol10882	COc1ccc(C(=O)O)c(C)c1
4.53999996185303	QSARToolbox	0	-1	COc1ccc(C(=O)O)c(C)c1	COc1ccc(C(=O)[O-])c(C)c1	mol10882	COc1ccc(C(=O)O)c(C)c1
4.28	AttenGpKa training set	0	-1	COc1ccc(C(=O)O)c(C)c1	COc1ccc(C(=O)[O-])c(C)c1	mol10882	COc1ccc(C(=O)O)c(C)c1