pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.68	OCHEM	1	0	Nc1ncc(Cl)[nH+]c1C=O,Nc1[nH+]cc(Cl)nc1C=O,[NH3+]c1ncc(Cl)nc1C=O	Nc1ncc(Cl)nc1C=O	mol6772	Nc1ncc(Cl)nc1C=O
-0.680000007152557	QSARToolbox	1	0	Nc1ncc(Cl)[nH+]c1C=O,Nc1[nH+]cc(Cl)nc1C=O,[NH3+]c1ncc(Cl)nc1C=O	Nc1ncc(Cl)nc1C=O	mol6772	Nc1ncc(Cl)nc1C=O