[
  {
    "molid": "mol34056",
    "smiles": "O=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1",
        "std_free_energy": -6.390586853027344,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[OH+]=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1",
        "std_free_energy": -0.4912028908729553,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.84999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]