pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	IUPAC digitized pKa	1	0	Cn1nc(-c2ccccc2)sc1=[NH+]c1ccccc1,Cn1[nH+]c(-c2ccccc2)sc1=Nc1ccccc1	Cn1nc(-c2ccccc2)sc1=Nc1ccccc1	mol7596	Cn1nc(-c2ccccc2)sc1=Nc1ccccc1