[
  {
    "molid": "mol36729",
    "smiles": "O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(NC(=S)Nc1ccccc1C(=O)[O-])c1ccccc1",
        "std_free_energy": -10.170687675476074,
        "relative_population": 0.9945442364752874
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([N-]C(=S)Nc1ccccc1C(=O)[O-])c1ccccc1",
        "std_free_energy": -3.332087516784668,
        "relative_population": 0.6420368973555366
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C(NC(=S)[N-]c1ccccc1C(=O)[O-])c1ccccc1",
        "std_free_energy": -2.747727632522583,
        "relative_population": 0.357911550521585
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.85000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]