pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.52	IUPAC digitized pKa	1	0	CNc1nc[nH+]c(NC)c1[N+](=O)[O-],CNc1ncnc([NH2+]C)c1[N+](=O)[O-]	CNc1ncnc(NC)c1[N+](=O)[O-]	mol7143	CNc1ncnc(NC)c1[N+](=O)[O-]
2.57	AttenGpKa training set	1	0	CNc1nc[nH+]c(NC)c1[N+](=O)[O-],CNc1ncnc([NH2+]C)c1[N+](=O)[O-]	CNc1ncnc(NC)c1[N+](=O)[O-]	mol7143	CNc1ncnc(NC)c1[N+](=O)[O-]