[
  {
    "molid": "mol32151",
    "smiles": "CCOc1ccc2nc(S(=O)(=O)NC(C)=O)sc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc2nc(S(=O)(=O)NC(C)=O)sc2c1",
        "std_free_energy": -5.16000509262085,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOc1ccc2nc(S(=O)(=O)[N-]C(C)=O)sc2c1",
        "std_free_energy": -8.961564064025879,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]