[
  {
    "molid": "mol3831",
    "smiles": "CCCCOC(=O)c1ccc[n+]([O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCOC(=O)c1ccc[n+]([O-])c1",
        "std_free_energy": -6.379602432250977,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCOC(=O)c1ccc[n+](O)c1",
        "std_free_energy": 9.031715393066406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.300000011920929,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]