[
  {
    "molid": "mol19216",
    "smiles": "Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3C2=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3C2=O)c1",
        "std_free_energy": -6.230534553527832,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)cc(NC2=C([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3C2=O)c1",
        "std_free_energy": -2.431260108947754,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]