pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	IUPAC digitized pKa	1	0	CCn1nc(-c2ccccc2)sc1=[NH2+],CCn1[nH+]c(-c2ccccc2)sc1=N	CCn1nc(-c2ccccc2)sc1=N	mol4251	CCn1nc(-c2ccccc2)sc1=N
6.1	Datawarrior	1	0	CCn1nc(-c2ccccc2)sc1=[NH2+],CCn1[nH+]c(-c2ccccc2)sc1=N	CCn1nc(-c2ccccc2)sc1=N	mol4251	CCn1nc(-c2ccccc2)sc1=N
6.0999999	OCHEM	1	0	CCn1nc(-c2ccccc2)sc1=[NH2+],CCn1[nH+]c(-c2ccccc2)sc1=N	CCn1nc(-c2ccccc2)sc1=N	mol4251	CCn1nc(-c2ccccc2)sc1=N