pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.7	IUPAC digitized pKa	1	0	Cn1c[nH+]c([N+](=O)[O-])c1N1CCCCC1,Cn1cnc([N+](=O)[O-])c1[NH+]1CCCCC1	Cn1cnc([N+](=O)[O-])c1N1CCCCC1	mol6690	Cn1cnc([N+](=O)[O-])c1N1CCCCC1
0.68	AttenGpKa training set	1	0	Cn1c[nH+]c([N+](=O)[O-])c1N1CCCCC1,Cn1cnc([N+](=O)[O-])c1[NH+]1CCCCC1	Cn1cnc([N+](=O)[O-])c1N1CCCCC1	mol6690	Cn1cnc([N+](=O)[O-])c1N1CCCCC1