pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15	Datawarrior	0	-1	CC(=O)C(CN1CCOCC1)=NO	CC(=O)C(CN1CCOCC1)=N[O-]	mol13897	CC(=O)C(CN1CCOCC1)=NO
9.1499996	OCHEM	0	-1	CC(=O)C(CN1CCOCC1)=NO	CC(=O)C(CN1CCOCC1)=N[O-]	mol13897	CC(=O)C(CN1CCOCC1)=NO
6.1	Datawarrior	1	0	CC(=O)C(C[NH+]1CCOCC1)=NO	CC(=O)C(CN1CCOCC1)=NO	mol13897	CC(=O)C(CN1CCOCC1)=NO
6.0999999	OCHEM	1	0	CC(=O)C(C[NH+]1CCOCC1)=NO	CC(=O)C(CN1CCOCC1)=NO	mol13897	CC(=O)C(CN1CCOCC1)=NO