pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.07	Datawarrior	1	0	CC(C)[NH+](C[C@H]1CO1)C[C@@H]1CO1	CC(C)N(C[C@H]1CO1)C[C@@H]1CO1	mol12811	CC(C)N(CC1CO1)CC1CO1
7.0700002	OCHEM	1	0	CC(C)[NH+](C[C@H]1CO1)C[C@@H]1CO1	CC(C)N(C[C@H]1CO1)C[C@@H]1CO1	mol12811	CC(C)N(CC1CO1)CC1CO1