[
  {
    "molid": "mol12330",
    "smiles": "O=C1c2ccccc2C(=O)C1c1ccc(-c2ccc(C3C(=O)c4ccccc4C3=O)cc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2ccccc2C(=O)[C-]1c1ccc(-c2ccc(C3C(=O)c4ccccc4C3=O)cc2)cc1",
        "std_free_energy": -4.9504594802856445,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1c2ccccc2C(=O)[C-]1c1ccc(-c2ccc([C-]3C(=O)c4ccccc4C3=O)cc2)cc1",
        "std_free_energy": 6.704307556152344,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.11,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.54,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]