pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	IUPAC digitized pKa	1	0	COc1cccc2sc(N)[nH+]c12,COc1cccc2sc([NH3+])nc12	COc1cccc2sc(N)nc12	mol4544	COc1cccc2sc(N)nc12