pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6600001	OCHEM	0	-1	CCCCCCCC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]12	CCCCCCCC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@@H]12	mol32353	CCCCCCCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O