pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Baltruschat ChEMBL	1	0	COc1cc(C)c(-c2[nH]cc[nH+]2)cc1-c1ccc(C#CCO)s1	COc1cc(C)c(-c2ncc[nH]2)cc1-c1ccc(C#CCO)s1	mol18128	COc1cc(C)c(-c2ncc[nH]2)cc1-c1ccc(C#CCO)s1