pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98000001907349	QSARToolbox	0	-1	CCOc1cc[n+]([O-])c(C(=O)O)c1	CCOc1cc[n+]([O-])c(C(=O)[O-])c1	mol25190	CCOc1cc[n+]([O-])c(C(=O)O)c1
4.15	AttenGpKa training set	0	-1	CCOc1cc[n+]([O-])c(C(=O)O)c1	CCOc1cc[n+]([O-])c(C(=O)[O-])c1	mol25190	CCOc1cc[n+]([O-])c(C(=O)O)c1