[
  {
    "molid": "mol16382",
    "smiles": "O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1",
        "std_free_energy": -5.775799751281738,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)[nH+][nH]1",
        "std_free_energy": 8.351340293884277,
        "relative_population": 0.38749701083991184
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=c1ccc(-c2ccc(S(=O)(=O)[NH2+]c3cccc4c3CCCC4)s2)n[nH]1",
        "std_free_energy": 7.893494606018066,
        "relative_population": 0.6125029891600882
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]