[
  {
    "molid": "mol34696",
    "smiles": "CC(=O)C=C(O)Nc1cccc(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C=C(O)Nc1cccc(C)c1",
        "std_free_energy": -6.525571823120117,
        "relative_population": 0.9999996693606812
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)C=C([O-])Nc1cccc(C)c1",
        "std_free_energy": -1.7373287677764893,
        "relative_population": 0.9853799554414922
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]