[
  {
    "molid": "mol12317",
    "smiles": "Cc1ccc(C(C(=O)C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc([C@H](C(=O)C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1",
        "std_free_energy": -2.902925491333008,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([C-](C(=O)C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1",
        "std_free_energy": -4.068896770477295,
        "relative_population": 0.09903743032987121
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc([C@H](C(=O)[C-]2C(=O)c3ccccc3C2=O)c2ccccc2)cc1",
        "std_free_energy": -6.276862621307373,
        "relative_population": 0.9009625696701288
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]