pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Baltruschat ChEMBL	0	-1	COc1cc(C)c(-c2noc(=O)[nH]2)cc1-c1ccc(C#CCO)s1	COc1cc(C)c(-c2noc(=O)[n-]2)cc1-c1ccc(C#CCO)s1	mol18127	COc1cc(C)c(-c2noc(=O)[nH]2)cc1-c1ccc(C#CCO)s1