pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	IUPAC digitized pKa	0	-1	Oc1ccc(N=Nc2ccccn2)c2ccccc12	[O-]c1ccc(N=Nc2ccccn2)c2ccccc12	mol12026	Oc1ccc(N=Nc2ccccn2)c2ccccc12
9.5	IUPAC digitized pKa	0	-1	Oc1ccc(N=Nc2ccccn2)c2ccccc12	[O-]c1ccc(N=Nc2ccccn2)c2ccccc12	mol12026	Oc1ccc(N=Nc2ccccn2)c2ccccc12
3.0	IUPAC digitized pKa	1	0	Oc1ccc([NH+]=Nc2ccccn2)c2ccccc12,Oc1ccc(N=Nc2cccc[nH+]2)c2ccccc12,Oc1ccc(N=[NH+]c2ccccn2)c2ccccc12	Oc1ccc(N=Nc2ccccn2)c2ccccc12	mol12026	Oc1ccc(N=Nc2ccccn2)c2ccccc12
3.1	IUPAC digitized pKa	1	0	Oc1ccc([NH+]=Nc2ccccn2)c2ccccc12,Oc1ccc(N=Nc2cccc[nH+]2)c2ccccc12,Oc1ccc(N=[NH+]c2ccccn2)c2ccccc12	Oc1ccc(N=Nc2ccccn2)c2ccccc12	mol12026	Oc1ccc(N=Nc2ccccn2)c2ccccc12