[
  {
    "molid": "mol32194",
    "smiles": "Cc1ccc(-c2csc(NC(=O)C[n+]3ccc(/C=N/O)cc3)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2csc(NC(=O)C[n+]3ccc(/C=N/[O-])cc3)n2)cc1",
        "std_free_energy": -2.49721622467041,
        "relative_population": 0.09219172796883666
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccc(-c2csc([N-]C(=O)C[n+]3ccc(/C=N/O)cc3)n2)cc1",
        "std_free_energy": -4.779376029968262,
        "relative_population": 0.9032778597897516
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(-c2csc([N-]C(=O)C[n+]3ccc(/C=N/[O-])cc3)n2)cc1",
        "std_free_energy": -1.8300766944885254,
        "relative_population": 0.9703858964621698
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]