pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42000007629395	QSARToolbox	1	0	COC(=O)/C=C(\O)c1cc[n+](C)cc1	COC(=O)/C=C(\[O-])c1cc[n+](C)cc1	mol31208	COC(=O)/C=C(\O)c1cc[n+](C)cc1
5.42	AttenGpKa training set	1	0	COC(=O)/C=C(\O)c1cc[n+](C)cc1	COC(=O)/C=C(\[O-])c1cc[n+](C)cc1	mol31208	COC(=O)/C=C(\O)c1cc[n+](C)cc1