[
  {
    "molid": "mol32060",
    "smiles": "COc1cccc(Oc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(Oc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)c1",
        "std_free_energy": -4.872532844543457,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(Oc2cc([N+](=O)[O-])ccc2[N-]S(C)(=O)=O)c1",
        "std_free_energy": -4.392754077911377,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.87,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]