pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.16	Datawarrior	1	0	C=CC[NH+](C[C@@H]1CO1)C[C@@H]1CO1	C=CCN(C[C@@H]1CO1)C[C@@H]1CO1	mol12810	C=CCN(CC1CO1)CC1CO1
6.1599998	OCHEM	1	0	C=CC[NH+](C[C@@H]1CO1)C[C@@H]1CO1	C=CCN(C[C@@H]1CO1)C[C@@H]1CO1	mol12810	C=CCN(CC1CO1)CC1CO1