[
  {
    "molid": "mol33103",
    "smiles": "O=P(O)(O)c1ccc(NNc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1ccc(NNc2ccccc2)cc1",
        "std_free_energy": -12.0940523147583,
        "relative_population": 0.9998639284933422
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1ccc(NNc2ccccc2)cc1",
        "std_free_energy": -10.836297988891602,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.54,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]