[
  {
    "molid": "mol24285",
    "smiles": "CN(C)C(CO)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)[C@@H](CO)c1ccc([O-])cc1",
        "std_free_energy": -3.4608092308044434,
        "relative_population": 0.4759878002850115
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)[C@@H](CO)c1ccc(O)cc1",
        "std_free_energy": -3.556931972503662,
        "relative_population": 0.5240121997149887
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)[C@@H](CO)c1ccc([O-])cc1",
        "std_free_energy": 3.7584683895111084,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]