pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.68345	OCHEM	0	-1	NC(=O)NCCCC(=O)O	NC(=O)NCCCC(=O)[O-]	mol29421	NC(=O)NCCCC(=O)O
4.68	AttenGpKa training set	0	-1	NC(=O)NCCCC(=O)O	NC(=O)NCCCC(=O)[O-]	mol29421	NC(=O)NCCCC(=O)O