pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.45	OCHEM	0	-1	COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1	mol32877	COC(=O)C(C#N)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1