pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.51	IUPAC digitized pKa	0	-1	Cn1c(=O)c2c(=O)cn[nH]c2n(C)c1=O	Cn1c(=O)c2c(=O)cn[n-]c2n(C)c1=O	mol10611	Cn1c(=O)c2c(=O)cn[nH]c2n(C)c1=O
8.5100002	OCHEM	0	-1	Cn1c(=O)c2c(=O)cn[nH]c2n(C)c1=O	Cn1c(=O)c2c(=O)cn[n-]c2n(C)c1=O	mol10611	Cn1c(=O)c2c(=O)cn[nH]c2n(C)c1=O