pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.94000005722046	QSARToolbox	-2	-3	O=C(O)[C@H]1OCCOCCO[C@H](C(=O)O)[C@H](C(=O)[O-])OCCOCCO[C@H]1C(=O)[O-],O=C([O-])[C@H]1OCCOCCO[C@H](C(=O)O)[C@H](C(=O)[O-])OCCOCCO[C@H]1C(=O)O	O=C([O-])[C@H]1OCCOCCO[C@H](C(=O)[O-])[C@H](C(=O)O)OCCOCCO[C@H]1C(=O)[O-]	mol36353	O=C(O)[C@H]1OCCOCCO[C@H](C(=O)O)[C@H](C(=O)O)OCCOCCO[C@H]1C(=O)O