pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.05	IUPAC digitized pKa	1	0	CCCc1cc[nH+]cc1	CCCc1ccncc1	mol6542	CCCc1ccncc1
6.5	QSARToolbox	1	0	CCCc1cc[nH+]cc1	CCCc1ccncc1	mol6542	CCCc1ccncc1