pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.68	OCHEM	1	0	CC1(C)S[C@@H]2[C@H](NC(=O)C3([NH3+])CCCCC3)C(=O)N2[C@H]1C(=O)O	CC1(C)S[C@@H]2[C@H](NC(=O)C3([NH3+])CCCCC3)C(=O)N2[C@H]1C(=O)[O-]	mol31793	CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O