pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77	Datawarrior	-1	-2	COC(=O)CC(=NO)C(C)=N[O-],COC(=O)CC(=N[O-])C(C)=NO	COC(=O)CC(=N[O-])C(C)=N[O-]	mol12870	COC(=O)CC(=NO)C(C)=NO
11.55	Datawarrior	-1	-2	COC(=O)CC(=NO)C(C)=N[O-],COC(=O)CC(=N[O-])C(C)=NO	COC(=O)CC(=N[O-])C(C)=N[O-]	mol12870	COC(=O)CC(=NO)C(C)=NO
9.7700005	OCHEM	-1	-2	COC(=O)CC(=NO)C(C)=N[O-],COC(=O)CC(=N[O-])C(C)=NO	COC(=O)CC(=N[O-])C(C)=N[O-]	mol12870	COC(=O)CC(=NO)C(C)=NO
11.5500001907349	QSARToolbox	-1	-2	COC(=O)CC(=NO)C(C)=N[O-],COC(=O)CC(=N[O-])C(C)=NO	COC(=O)CC(=N[O-])C(C)=N[O-]	mol12870	COC(=O)CC(=NO)C(C)=NO