[
  {
    "molid": "mol23845",
    "smiles": "CN(C)c1cccc2cccc(O)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cccc2cccc(O)c12",
        "std_free_energy": -5.887621879577637,
        "relative_population": 0.8725799281233334
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)c1cccc2cccc([O-])c12",
        "std_free_energy": -3.9636569023132324,
        "relative_population": 0.12742007187666665
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1cccc2cccc([O-])c12",
        "std_free_energy": 3.4087085723876953,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]