[
  {
    "molid": "mol2308",
    "smiles": "CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3",
        "std_free_energy": -4.603504180908203,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[O-])OCC3",
        "std_free_energy": -9.495017051696777,
        "relative_population": 0.9999999901053116
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]