pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.49	AttenGpKa training set	0	-1	CC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O	CC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)[N-]C1=O	mol11711	CCC1(c2ccc([N+](=O)[O-])cc2)CC(=O)NC1=O