pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	IUPAC digitized pKa	1	0	COc1nc(NC(C)C)[nH+]c(NC(C)C)n1,COc1nc(NC(C)C)nc(NC(C)C)[nH+]1,COc1nc(NC(C)C)nc([NH2+]C(C)C)n1	COc1nc(NC(C)C)nc(NC(C)C)n1	mol7614	COc1nc(NC(C)C)nc(NC(C)C)n1