pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.45	IUPAC digitized pKa	0	-1	Cn1c(CO)nc2ccccc21	Cn1c(C[O-])nc2ccccc21	mol4519	Cn1c(CO)nc2ccccc21
5.55	IUPAC digitized pKa	1	0	Cn1c(CO)[nH+]c2ccccc21	Cn1c(CO)nc2ccccc21	mol4519	Cn1c(CO)nc2ccccc21