[
  {
    "molid": "mol29500",
    "smiles": "O=Cc1c[nH]c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1c[nH]c(=O)[nH]c1=O",
        "std_free_energy": -5.340053558349609,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1c[nH]c(=O)[n-]c1=O",
        "std_free_energy": -2.584329128265381,
        "relative_population": 0.2838157005250032
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=Cc1c[n-]c(=O)[nH]c1=O",
        "std_free_energy": -3.509941577911377,
        "relative_population": 0.7161842994749967
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]