pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.45	Datawarrior	1	0	C[NH+](C[C@H]1CO1)C[C@H]1CO1	CN(C[C@H]1CO1)C[C@H]1CO1	mol13187	CN(CC1CO1)CC1CO1
6.4499998	OCHEM	1	0	C[NH+](C[C@H]1CO1)C[C@H]1CO1	CN(C[C@H]1CO1)C[C@H]1CO1	mol13187	CN(CC1CO1)CC1CO1