[
  {
    "molid": "mol35413",
    "smiles": "CCCCOc1ccc(C(=O)OCCCN2CCCCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCOc1ccc(C(=O)OCCCN2CCCCC2)cc1",
        "std_free_energy": -3.7374634742736816,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCOc1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1",
        "std_free_energy": -7.7745585441589355,
        "relative_population": 0.9999754878884874
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]