[
  {
    "molid": "mol20833",
    "smiles": "O=C(O)Cc1ccccc1Nc1cc(Cl)cc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1ccccc1Nc1cc(Cl)cc(Cl)c1",
        "std_free_energy": -4.855169296264648,
        "relative_population": 0.9903021138181575
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccccc1Nc1cc(Cl)cc(Cl)c1",
        "std_free_energy": -9.673674583435059,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]