pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.13	IUPAC digitized pKa	1	0	Nc1c(O)nc(O)[nH+]c1NCCO,Nc1c(O)nc(O)nc1[NH2+]CCO,Nc1c(NCCO)nc(O)[nH+]c1O	Nc1c(O)nc(O)nc1NCCO	mol7037	Nc1c(O)nc(O)nc1NCCO