[
  {
    "molid": "mol36671",
    "smiles": "COP(=O)(O)O/C(C)=C1/C=CC=CC1=[N+]([O-])O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[P@@](=O)([O-])O/C(C)=C1/C=CC=CC1=[N+]([O-])O",
        "std_free_energy": -11.345064163208008,
        "relative_population": 0.9999351866570009
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CO[P@@](=O)([O-])O/C(C)=C1/C=CC=CC1=[N+]([O-])[O-]",
        "std_free_energy": -11.649171829223633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3899998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]