pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	IUPAC digitized pKa	0	-1	Oc1c(N=Nc2nccs2)ccc2ccccc12	[O-]c1c(N=Nc2nccs2)ccc2ccccc12	mol11896	Oc1c(N=Nc2nccs2)ccc2ccccc12
0.88	IUPAC digitized pKa	2	1	[O-]c1c([NH+]=[NH+]c2[nH+]ccs2)ccc2ccccc12,Oc1c([NH+]=[NH+]c2nccs2)ccc2ccccc12	Oc1c(N=Nc2[nH+]ccs2)ccc2ccccc12,Oc1c(N=[NH+]c2nccs2)ccc2ccccc12,Oc1c([NH+]=Nc2nccs2)ccc2ccccc12	mol11896	Oc1c(N=Nc2nccs2)ccc2ccccc12