pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Datawarrior	1	0	CC(C)(C)C(N)=[NH+]O	CC(C)(C)C(N)=NO	mol12467	CC(C)(C)C(N)=NO
5.8000002	OCHEM	1	0	CC(C)(C)C(N)=[NH+]O	CC(C)(C)C(N)=NO	mol12467	CC(C)(C)C(N)=NO
5.80000019073486	QSARToolbox	1	0	CC(C)(C)C(N)=[NH+]O	CC(C)(C)C(N)=NO	mol12467	CC(C)(C)C(N)=NO