[
  {
    "molid": "mol14557",
    "smiles": "O=S(=O)(Nc1nccs1)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=S(=O)(Nc1nccs1)c1ccc(O)cc1",
        "std_free_energy": -5.424252510070801,
        "relative_population": 0.9999994455614066
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)(Nc1nccs1)c1ccc([O-])cc1",
        "std_free_energy": -3.384582757949829,
        "relative_population": 0.055121587618999913
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([N-]c1nccs1)c1ccc(O)cc1",
        "std_free_energy": -6.226097583770752,
        "relative_population": 0.9448784123810001
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]