pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-7.14	AttenGpKa training set	1	0	CS(=O)(=O)c1cc([N+](=O)[O-])c([NH2+]CCC#N)c([N+](=O)[O-])c1	CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCC#N)c([N+](=O)[O-])c1	mol24183	CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCC#N)c([N+](=O)[O-])c1