pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3600001335144	QSARToolbox	1	0	COC(=O)CC(=O)c1cc[n+](C)cc1	COC(=O)[CH-]C(=O)c1cc[n+](C)cc1	mol26902	COC(=O)CC(=O)c1cc[n+](C)cc1
6.36	AttenGpKa training set	1	0	COC(=O)CC(=O)c1cc[n+](C)cc1	COC(=O)[CH-]C(=O)c1cc[n+](C)cc1	mol26902	COC(=O)CC(=O)c1cc[n+](C)cc1