pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.06	OCHEM	0	-1	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOC2	O=C([O-])c1c2cccc1COCCOCCOCCOCCOCCOCCOC2	mol23269	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOC2
4.05999994277954	QSARToolbox	0	-1	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOC2	O=C([O-])c1c2cccc1COCCOCCOCCOCCOCCOCCOC2	mol23269	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOC2