[
  {
    "molid": "mol7335",
    "smiles": "Cc1cc(C)n(O)c(=O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)n(O)c(=O)n1",
        "std_free_energy": -5.925099849700928,
        "relative_population": 0.9914867572044609
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)n(O)c(=O)[nH+]1",
        "std_free_energy": 3.8214244842529297,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)n([O-])c(=O)n1",
        "std_free_energy": -4.564511775970459,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]