pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	0	-1	COc1cc(C)c(C(=O)O)cc1-c1ccc(C#CCO)s1	COc1cc(C)c(C(=O)[O-])cc1-c1ccc(C#CCO)s1	mol18126	COc1cc(C)c(C(=O)O)cc1-c1ccc(C#CCO)s1