[
  {
    "molid": "mol38346",
    "smiles": "Cc1cc(OCCNCC2CC(=O)c3ccccc3C2=O)c(C(C)C)cc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(OCCNC[C@H]2CC(=O)c3ccccc3C2=O)c(C(C)C)cc1O",
        "std_free_energy": -4.255871295928955,
        "relative_population": 0.9607874536298238
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(OCC[NH2+]C[C@H]2CC(=O)c3ccccc3C2=O)c(C(C)C)cc1O",
        "std_free_energy": -8.069125175476074,
        "relative_population": 0.9964941296912544
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]