pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8	IUPAC digitized pKa	1	0	OC1=Nc2cnc(O)[nH+]c2NC1,OC1=[NH+]c2cnc(O)nc2NC1,OC1=Nc2c[nH+]c(O)nc2NC1	OC1=Nc2cnc(O)nc2NC1	mol4757	OC1=Nc2cnc(O)nc2NC1
10.22	IUPAC digitized pKa	-1	-2	[O-]C1=Nc2cnc(O)nc2NC1,[O-]c1ncc2c(n1)NCC(O)=N2	[O-]C1=Nc2cnc([O-])nc2NC1	mol4757	OC1=Nc2cnc(O)nc2NC1