pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.38	IUPAC digitized pKa	1	0	CNc1nc(C)[nH+]c(NC)c1[N+](=O)[O-],CNc1nc(C)nc([NH2+]C)c1[N+](=O)[O-]	CNc1nc(C)nc(NC)c1[N+](=O)[O-]	mol7503	CNc1nc(C)nc(NC)c1[N+](=O)[O-]
3.43	AttenGpKa training set	1	0	CNc1nc(C)[nH+]c(NC)c1[N+](=O)[O-],CNc1nc(C)nc([NH2+]C)c1[N+](=O)[O-]	CNc1nc(C)nc(NC)c1[N+](=O)[O-]	mol7503	CNc1nc(C)nc(NC)c1[N+](=O)[O-]