pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Datawarrior	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	mol14955	OC[C@@H]1O[C@H](CN2CCOCC2)[C@@H](O)[C@H](O)[C@@H]1O