pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.75	AttenGpKa training set	1	0	CCCCCCCCCC[N+](C)(C)[C@H](C)C(=O)O	CCCCCCCCCC[N+](C)(C)[C@H](C)C(=O)[O-]	mol12057	CCCCCCCCCC[N+](C)(C)C(C)C(=O)O