[
  {
    "molid": "mol774",
    "smiles": "C[C@@H](CCCC(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](CCCC(=O)O)c1ccccc1",
        "std_free_energy": -4.5688910484313965,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](CCCC(=O)[O-])c1ccccc1",
        "std_free_energy": -8.351821899414062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]