pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.9	Datawarrior	1	0	CCSc1[nH+]ccc([O-])[n+]1C,CCSc1nccc(O)[n+]1C	CCSc1nccc([O-])[n+]1C	mol14183	CCSc1nccc(O)[n+]1C
0.89999998	OCHEM	1	0	CCSc1[nH+]ccc([O-])[n+]1C,CCSc1nccc(O)[n+]1C	CCSc1nccc([O-])[n+]1C	mol14183	CCSc1nccc(O)[n+]1C