pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	Datawarrior	0	-1	CC1(C)CC(=O)C(=NO)C(=O)C1	CC1(C)CC(=O)C(=N[O-])C(=O)C1	mol12694	CC1(C)CC(=O)C(=NO)C(=O)C1
5.4000001	OCHEM	0	-1	CC1(C)CC(=O)C(=NO)C(=O)C1	CC1(C)CC(=O)C(=N[O-])C(=O)C1	mol12694	CC1(C)CC(=O)C(=NO)C(=O)C1
5.40000009536743	QSARToolbox	0	-1	CC1(C)CC(=O)C(=NO)C(=O)C1	CC1(C)CC(=O)C(=N[O-])C(=O)C1	mol12694	CC1(C)CC(=O)C(=NO)C(=O)C1