[
  {
    "molid": "mol36768",
    "smiles": "O=P(O)(O)C(O)c1cccc(C(O)P(=O)(O)O)c1",
    "microspecies": [
      {
        "id": "-3_5",
        "charge": -3,
        "smiles": "O=P([O-])([O-])[C@@H](O)c1cccc([C@H](O)P(=O)([O-])O)c1",
        "std_free_energy": -13.438909530639648,
        "relative_population": 0.9999992407185416
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P([O-])([O-])[C@@H](O)c1cccc([C@H](O)P(=O)(O)O)c1",
        "std_free_energy": -12.160932540893555,
        "relative_population": 0.16623167705898387
      },
      {
        "id": "-2_9",
        "charge": -2,
        "smiles": "O=P([O-])(O)[C@@H](O)c1cccc([C@H](O)P(=O)([O-])O)c1",
        "std_free_energy": -13.773505210876465,
        "relative_population": 0.8337679533621237
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.78000020980835,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.23000001907349,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]