[
  {
    "molid": "mol19207",
    "smiles": "O=Cc1cccc(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1cccc(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1",
        "std_free_energy": -5.735367298126221,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1cccc(C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1",
        "std_free_energy": -2.320467948913574,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]