[
  {
    "molid": "mol36456",
    "smiles": "CN1C(=O)/C(=N\\NC(N)=S)c2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CN1C(=O)/C(=N\\[N-]C([NH-])=S)c2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": 5.514926433563232,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CN1C(=O)/C(=N\\[N-]C(N)=S)c2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -0.38913121819496155,
        "relative_population": 0.963035914898079
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7299995422363,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]