[
  {
    "molid": "mol17565",
    "smiles": "O=C(O)Cc1cccc2oc(-c3ccccc3)nc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)Cc1cccc2oc(-c3ccccc3)nc12",
        "std_free_energy": -5.046695709228516,
        "relative_population": 0.998959361448894
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1cccc2oc(-c3ccccc3)nc12",
        "std_free_energy": -10.023616790771484,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]