[
  {
    "molid": "mol2919",
    "smiles": "Cc1ccc2c(c1)C(=O)C(=O)N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(c1)C(=O)C(=O)N2",
        "std_free_energy": -6.951559066772461,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc2c(c1)C(=O)C(=O)[N-]2",
        "std_free_energy": 5.533542633056641,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      },
      {
        "pka_value": 10.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]