[
  {
    "molid": "mol29626",
    "smiles": "NC(=S)N/N=C1\\C=Cc2ccccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=S)N/N=C1\\C=Cc2ccccc2C1=O",
        "std_free_energy": -7.167178153991699,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]C(=S)N/N=C1\\C=Cc2ccccc2C1=O",
        "std_free_energy": 4.799588680267334,
        "relative_population": 0.10166206106115162
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=S)[N-]/N=C1\\C=Cc2ccccc2C1=O",
        "std_free_energy": 2.620696544647217,
        "relative_population": 0.8983379389388484
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]