pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9300000667572	QSARToolbox	0	-1	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2	O=C([O-])c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2	mol23263	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2
3.93	AttenGpKa training set	0	-1	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2	O=C([O-])c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2	mol23263	O=C(O)c1c2cccc1COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2