[
  {
    "molid": "mol37886",
    "smiles": "O=P(O)(Oc1cccc2cccnc12)Oc1cccc2cccnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P([O-])(Oc1cccc2cccnc12)Oc1cccc2ccc[nH+]c12",
        "std_free_energy": -8.054133415222168,
        "relative_population": 0.9771432403395538
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(Oc1cccc2cccnc12)Oc1cccc2cccnc12",
        "std_free_energy": -11.443950653076172,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16000008583069,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]