pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.13	IUPAC digitized pKa	1	0	CSc1ccc([NH+]2CCCCC2)nn1,CSc1ccc(N2CCCCC2)[nH+]n1,CSc1ccc(N2CCCCC2)n[nH+]1	CSc1ccc(N2CCCCC2)nn1	mol6976	CSc1ccc(N2CCCCC2)nn1
