[
  {
    "molid": "mol17589",
    "smiles": "CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1",
        "std_free_energy": -6.057194709777832,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)N(NC(=[OH+])c1ccc(Cl)cc1)C(=O)c1ccccc1",
        "std_free_energy": 11.581497192382812,
        "relative_population": 0.19255136367574793
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=[OH+])c1ccccc1",
        "std_free_energy": 10.147980690002441,
        "relative_population": 0.8074486363242521
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]