pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.49	IUPAC digitized pKa	1	0	C#CCc1c(C)nc([NH3+])nc1C,C#CCc1c(C)nc(N)[nH+]c1C	C#CCc1c(C)nc(N)nc1C	mol7054	C#CCc1c(C)nc(N)nc1C