[
  {
    "molid": "mol10223",
    "smiles": "Cc1cc(C)n(CC(=O)O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)n(CC(=O)[O-])[nH+]1",
        "std_free_energy": -3.728393077850342,
        "relative_population": 0.4931889813398952
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(C)n(CC(=O)O)n1",
        "std_free_energy": -3.755638837814331,
        "relative_population": 0.5068110186601049
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)n(CC(=O)[O-])n1",
        "std_free_energy": -11.150288581848145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]