pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	IUPAC digitized pKa	1	0	COc1ccc2nc([NH3+])sc2c1,COc1ccc2[nH+]c(N)sc2c1	COc1ccc2nc(N)sc2c1	mol4546	COc1ccc2nc(N)sc2c1