pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95000004768372	QSARToolbox	0	-1	CCCOc1cc[n+](O)c(C(=O)[O-])c1,CCCOc1cc[n+]([O-])c(C(=O)O)c1	CCCOc1cc[n+]([O-])c(C(=O)[O-])c1	mol25197	CCCOc1cc[n+]([O-])c(C(=O)O)c1
3.965	AttenGpKa training set	0	-1	CCCOc1cc[n+](O)c(C(=O)[O-])c1,CCCOc1cc[n+]([O-])c(C(=O)O)c1	CCCOc1cc[n+]([O-])c(C(=O)[O-])c1	mol25197	CCCOc1cc[n+]([O-])c(C(=O)O)c1