pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	AttenGpKa training set	0	-1	CCCC[C@H](N)C(=O)NO,CCCC[C@H]([NH3+])C(=O)N[O-]	CCCC[C@H](N)C(=O)N[O-],CCCC[C@H](N)C(=O)[N-]O	mol31403	CCCC[C@H](N)C(=O)NO
7.38	AttenGpKa training set	1	0	CCCC[C@H]([NH3+])C(=O)NO	CCCC[C@H](N)C(=O)NO,CCCC[C@H]([NH3+])C(=O)N[O-]	mol31403	CCCC[C@H](N)C(=O)NO