[
  {
    "molid": "mol21528",
    "smiles": "O=C(c1ccc(Cl)cc1)c1ccc2n1CCC2C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1ccc(Cl)cc1)c1ccc2n1CC[C@H]2C(=O)O",
        "std_free_energy": -4.136542320251465,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccc(Cl)cc1)c1ccc2n1CC[C@H]2C(=O)[O-]",
        "std_free_energy": -10.022141456604004,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]