[
  {
    "molid": "mol2782",
    "smiles": "CC(=O)n1cc(C2=C(O)CC(C)(C)CC2=O)c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)n1cc(C2=C(O)CC(C)(C)CC2=O)c2ccccc21",
        "std_free_energy": -4.242138862609863,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)n1cc(C2=C([O-])CC(C)(C)CC2=O)c2ccccc21",
        "std_free_energy": -5.5475687980651855,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]