pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.905	OCHEM	0	-1	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12	mol29733	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
8.19999980926514	QSARToolbox	0	-1	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12	mol29733	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
7.99	AttenGpKa training set	0	-1	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12	mol29733	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12