pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.13	IUPAC digitized pKa	1	0	Cn1c[nH+]c2ncn(C)c2c1=O,Cn1cnc2[nH+]cn(C)c2c1=O	Cn1cnc2ncn(C)c2c1=O	mol4864	Cn1cnc2ncn(C)c2c1=O
2.16	Datawarrior	1	0	Cn1c[nH+]c2ncn(C)c2c1=O,Cn1cnc2[nH+]cn(C)c2c1=O	Cn1cnc2ncn(C)c2c1=O	mol4864	Cn1cnc2ncn(C)c2c1=O
2.1600001	OCHEM	1	0	Cn1c[nH+]c2ncn(C)c2c1=O,Cn1cnc2[nH+]cn(C)c2c1=O	Cn1cnc2ncn(C)c2c1=O	mol4864	Cn1cnc2ncn(C)c2c1=O