[
  {
    "molid": "mol5308",
    "smiles": "CC(N)CS(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]([NH3+])CS(=O)(=O)[O-]",
        "std_free_energy": -10.994831085205078,
        "relative_population": 0.9999877211559753
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](N)CS(=O)(=O)[O-]",
        "std_free_energy": -7.431920528411865,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]