[
  {
    "molid": "mol17768",
    "smiles": "CC(C)CC1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@@H]1CC(O)=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1",
        "std_free_energy": -5.197781085968018,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[C@@H]1CC([O-])=C(C(=O)Nc2ccc(C3CCCCC3)cc2)C(=O)N1",
        "std_free_energy": -3.9412670135498047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]