pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.34	Datawarrior	0	-1	Cc1cc(C)c(C(=O)C(=O)O)c(C)c1	Cc1cc(C)c(C(=O)C(=O)[O-])c(C)c1	mol13208	Cc1cc(C)c(C(=O)C(=O)O)c(C)c1
1.3400000333786	QSARToolbox	0	-1	Cc1cc(C)c(C(=O)C(=O)O)c(C)c1	Cc1cc(C)c(C(=O)C(=O)[O-])c(C)c1	mol13208	Cc1cc(C)c(C(=O)C(=O)O)c(C)c1
1.37	AttenGpKa training set	0	-1	Cc1cc(C)c(C(=O)C(=O)O)c(C)c1	Cc1cc(C)c(C(=O)C(=O)[O-])c(C)c1	mol13208	Cc1cc(C)c(C(=O)C(=O)O)c(C)c1