pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.25	IUPAC digitized pKa	1	0	Cc1cccc2[nH+]c(N)sc12,Cc1cccc2nc([NH3+])sc12	Cc1cccc2nc(N)sc12	mol4550	Cc1cccc2nc(N)sc12
4.6	OCHEM	1	0	Cc1cccc2[nH+]c(N)sc12,Cc1cccc2nc([NH3+])sc12	Cc1cccc2nc(N)sc12	mol4550	Cc1cccc2nc(N)sc12