pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.97	IUPAC digitized pKa	1	0	Cc1ncc(C(N)=O)c(N)[nH+]1,Cc1nc(N)c(C(N)=O)c[nH+]1,Cc1ncc(C(N)=O)c([NH3+])n1	Cc1ncc(C(N)=O)c(N)n1	mol7011	Cc1ncc(C(N)=O)c(N)n1
4.96999979019165	QSARToolbox	1	0	Cc1ncc(C(N)=O)c(N)[nH+]1,Cc1nc(N)c(C(N)=O)c[nH+]1,Cc1ncc(C(N)=O)c([NH3+])n1	Cc1ncc(C(N)=O)c(N)n1	mol7011	Cc1ncc(C(N)=O)c(N)n1