[
  {
    "molid": "mol20837",
    "smiles": "O=C(O)Cc1c(O)cccc1Nc1c(Cl)cccc1Cl",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)Cc1c(O)cccc1Nc1c(Cl)cccc1Cl",
        "std_free_energy": -4.923223495483398,
        "relative_population": 0.9988136736532858
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])Cc1c(O)cccc1Nc1c(Cl)cccc1Cl",
        "std_free_energy": -10.132522583007812,
        "relative_population": 0.9998389506548134
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]