[
  {
    "molid": "mol37186",
    "smiles": "O=P(O)(O)[C@@H]1CCCC[C@H]1P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)[C@@H]1CCCC[C@H]1P(=O)(O)O",
        "std_free_energy": -0.16295595467090607,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)[C@@H]1CCCC[C@H]1P(=O)(O)O",
        "std_free_energy": -10.512420654296875,
        "relative_population": 0.9999969572271235
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.67999994754791,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]