[
  {
    "molid": "mol35451",
    "smiles": "CCCOP(=O)(CN1CCOCC1)OCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCOP(=O)(CN1CCOCC1)OCCC",
        "std_free_energy": -7.256004810333252,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCOP(=O)(C[NH+]1CCOCC1)OCCC",
        "std_free_energy": -2.077528953552246,
        "relative_population": 0.8609057818843829
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCOP(=[OH+])(CN1CCOCC1)OCCC",
        "std_free_energy": -0.25469541549682617,
        "relative_population": 0.13909421811561717
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9300000667572,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]