[
  {
    "molid": "mol2695",
    "smiles": "Cc1cc(C(=O)C2C(=O)C3CCC(C3)C2=O)c(=O)n(-c2ccccc2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C(=O)[C@H]2C(=O)[C@@H]3CC[C@@H](C3)C2=O)c(=O)n(-c2ccccc2)n1",
        "std_free_energy": -4.865108489990234,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C(=O)[C-]2C(=O)[C@@H]3CC[C@@H](C3)C2=O)c(=O)n(-c2ccccc2)n1",
        "std_free_energy": -7.234686374664307,
        "relative_population": 0.9817261174968124
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]