[
  {
    "molid": "mol20915",
    "smiles": "CCCc1oc2ccccc2c(=O)c1C(=O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1oc2ccccc2c(=O)c1C(=O)c1ccc(O)cc1",
        "std_free_energy": -4.9881439208984375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCc1oc2ccccc2c(=O)c1C(=O)c1ccc([O-])cc1",
        "std_free_energy": -2.4995250701904297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]