[
  {
    "molid": "mol29056",
    "smiles": "O=P(Nc1ccccc1)(Nc1ccccc1)Oc1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([N-]c1ccccc1)(Nc1ccccc1)Oc1ccccc1",
        "std_free_energy": 2.3336360454559326,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([N-]c1ccccc1)([N-]c1ccccc1)Oc1ccccc1",
        "std_free_energy": 8.0772705078125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.6999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]