pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.5	OCHEM	0	-1	NC(=[NH2+])c1ccc([O-])cc1	[N-]=C(N)c1ccc(O)cc1,N=C(N)c1ccc([O-])cc1	mol28020	N=C(N)c1ccc(O)cc1
12.6899995803833	QSARToolbox	0	-1	NC(=[NH2+])c1ccc([O-])cc1	[N-]=C(N)c1ccc(O)cc1,N=C(N)c1ccc([O-])cc1	mol28020	N=C(N)c1ccc(O)cc1
12.7	AttenGpKa training set	0	-1	NC(=[NH2+])c1ccc([O-])cc1	[N-]=C(N)c1ccc(O)cc1,N=C(N)c1ccc([O-])cc1	mol28020	N=C(N)c1ccc(O)cc1
7.95	AttenGpKa training set	1	0	NC(=[NH2+])c1ccc(O)cc1	NC(=[NH2+])c1ccc([O-])cc1	mol28020	N=C(N)c1ccc(O)cc1