[
  {
    "molid": "mol37185",
    "smiles": "O=P(O)(O)Oc1ccccc1-c1ncc[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P([O-])(O)Oc1ccccc1-c1[nH]cc[nH+]1",
        "std_free_energy": -9.373590469360352,
        "relative_population": 0.9993037582396902
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)Oc1ccccc1-c1ncc[nH]1",
        "std_free_energy": -10.934959411621094,
        "relative_population": 0.2871520801866654
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=P([O-])([O-])Oc1ccccc1-c1[nH]cc[nH+]1",
        "std_free_energy": -11.844215393066406,
        "relative_population": 0.7128478139635531
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]