[
  {
    "molid": "mol16812",
    "smiles": "O=C(N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O)c1ccc2ccccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O)c1ccc2ccccc2c1",
        "std_free_energy": -3.9666998386383057,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)[O-])c1ccc2ccccc2c1",
        "std_free_energy": -10.2811918258667,
        "relative_population": 0.999999971766059
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]