[
  {
    "molid": "mol31710",
    "smiles": "C[C@H](S)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H](S)C(=O)O",
        "std_free_energy": -3.002077579498291,
        "relative_population": 0.9999737436121977
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](S)C(=O)[O-]",
        "std_free_energy": -10.130729675292969,
        "relative_population": 0.9997147076380797
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]