pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.95	IUPAC digitized pKa	1	0	CNc1nc[nH+]c(NC)c1NC=O,CNc1ncnc([NH2+]C)c1NC=O	CNc1ncnc(NC)c1NC=O	mol7455	CNc1ncnc(NC)c1NC=O
5.0	AttenGpKa training set	1	0	CNc1nc[nH+]c(NC)c1NC=O,CNc1ncnc([NH2+]C)c1NC=O	CNc1ncnc(NC)c1NC=O	mol7455	CNc1ncnc(NC)c1NC=O