[
  {
    "molid": "mol12152",
    "smiles": "Cc1cc(=O)oc2c(C(=O)c3ccccc3)c(O)ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(=O)oc2c(C(=O)c3ccccc3)c(O)ccc12",
        "std_free_energy": -4.418004512786865,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(=O)oc2c(C(=O)c3ccccc3)c([O-])ccc12",
        "std_free_energy": -3.6837964057922363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]