[
  {
    "molid": "mol37885",
    "smiles": "O=P(O)(Oc1ccc2ncccc2c1)Oc1ccc2ncccc2c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=P([O-])(Oc1ccc2ncccc2c1)Oc1ccc2[nH+]cccc2c1",
        "std_free_energy": -8.310686111450195,
        "relative_population": 0.988208274314781
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(Oc1ccc2ncccc2c1)Oc1ccc2ncccc2c1",
        "std_free_energy": -11.246726989746094,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]