pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.09999990463257	QSARToolbox	1	0	OC[C@H]1O[C@@H](C[NH+]2CCOCC2)[C@H](O)[C@@H](O)[C@H]1O	OC[C@H]1O[C@@H](CN2CCOCC2)[C@H](O)[C@@H](O)[C@H]1O	mol36935	OC[C@H]1O[C@@H](CN2CCOCC2)[C@H](O)[C@@H](O)[C@H]1O