pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.06	AttenGpKa training set	1	0	CCC[NH2+]CCc1cccc2c1CC(=O)N2	CCCNCCc1cccc2c1CC(=O)N2	mol29599	CCCNCCc1cccc2c1CC(=O)N2