[
  {
    "molid": "mol33757",
    "smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)N([O-])CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N([O-])CCCCC[NH3+]",
        "std_free_energy": 1.9920891523361206,
        "relative_population": 0.19047255322782514
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "CC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)CCC(=O)N(O)CCCCC[NH3+]",
        "std_free_energy": 1.3548026084899902,
        "relative_population": 0.3602487087254072
      },
      {
        "id": "-1_8",
        "charge": -1,
        "smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCC[NH3+]",
        "std_free_energy": 1.4564610719680786,
        "relative_population": 0.3254263559374662
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)CCC(=O)N([O-])CCCCC[NH3+]",
        "std_free_energy": 5.02078104019165,
        "relative_population": 0.9940496410959123
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.15999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]