[
  {
    "molid": "mol35450",
    "smiles": "CCCOP(=O)(CN1CCCCC1)OCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCOP(=O)(CN1CCCCC1)OCCC",
        "std_free_energy": -4.7616729736328125,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCOP(=O)(C[NH+]1CCCCC1)OCCC",
        "std_free_energy": -6.472980499267578,
        "relative_population": 0.9931009334380068
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.55999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]