pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.31	AttenGpKa training set	0	-1	O=C(O)c1c2cccc1COCCOCCOCCOCCOC2	O=C([O-])c1c2cccc1COCCOCCOCCOCCOC2	mol23264	O=C(O)c1c2cccc1COCCOCCOCCOCCOC2