[
  {
    "molid": "mol34234",
    "smiles": "CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21",
        "std_free_energy": -2.884244918823242,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21",
        "std_free_energy": -7.319556713104248,
        "relative_population": 0.9941192101833154
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.71999979019165,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]