pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6	IUPAC digitized pKa	0	-1	OC1=Nc2nccnc2CN1	[O-]C1=Nc2nccnc2CN1	mol4760	OC1=Nc2nccnc2CN1
0.0	IUPAC digitized pKa	2	1	OC1=[NH+]c2ncc[nH+]c2CN1,OC1=[NH+]c2[nH+]ccnc2CN1,OC1=Nc2[nH+]cc[nH+]c2CN1	OC1=Nc2[nH+]ccnc2CN1,OC1=[NH+]c2nccnc2CN1,OC1=Nc2ncc[nH+]c2CN1	mol4760	OC1=Nc2nccnc2CN1