[
  {
    "molid": "mol34920",
    "smiles": "CC1(C)OC(=O)C(C(c2cccc(Cl)c2)N2CCCCC2)C(O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)OC(=O)[C@H]([C@@H](c2cccc(Cl)c2)N2CCCCC2)[C@@H](O)O1",
        "std_free_energy": -4.462982177734375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)OC(=O)[C@H]([C@@H](c2cccc(Cl)c2)N2CCCCC2)[C@@H]([O-])O1",
        "std_free_energy": 2.797914981842041,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1599998474121,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]