pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	IUPAC digitized pKa	1	0	CNC(=O)c1c([NH2+]C)ncn1C,CNC(=O)c1c(NC)[nH+]cn1C	CNC(=O)c1c(NC)ncn1C	mol6686	CNC(=O)c1c(NC)ncn1C