[
  {
    "molid": "mol37190",
    "smiles": "O=P(O)(O)c1cccc(P(=O)(O)O)n1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1cccc(P(=O)(O)O)n1",
        "std_free_energy": -11.708595275878906,
        "relative_population": 0.9872222182885552
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1cccc(P(=O)([O-])O)[nH+]1",
        "std_free_energy": -12.232203483581543,
        "relative_population": 0.07667977710422447
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])(O)c1cccc(P(=O)([O-])O)n1",
        "std_free_energy": -14.542038917541504,
        "relative_population": 0.7723775194306267
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1cccc(P(=O)(O)O)n1",
        "std_free_energy": -12.909465789794922,
        "relative_population": 0.15094270346514893
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.14000010490417,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]