[
  {
    "molid": "mol34772",
    "smiles": "CC(CNCC1CCCCC1)OP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C[NH2+]CC1CCCCC1)OP(=O)([O-])O",
        "std_free_energy": -10.921238899230957,
        "relative_population": 0.9999913031630621
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](C[NH2+]CC1CCCCC1)OP(=O)([O-])[O-]",
        "std_free_energy": -13.322652816772461,
        "relative_population": 0.9989939306606621
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.84000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]