[
  {
    "molid": "mol32204",
    "smiles": "Cc1ccc(-c2csc(NC(=O)C[n+]3cccc(/C=N/O)c3)n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2csc([N-]C(=O)C[n+]3cccc(/C=N/O)c3)n2)cc1",
        "std_free_energy": -4.633790969848633,
        "relative_population": 0.8788302010193101
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccc(-c2csc(NC(=O)C[n+]3cccc(/C=N/[O-])c3)n2)cc1",
        "std_free_energy": -2.621981620788574,
        "relative_population": 0.11754042971274638
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(-c2csc([N-]C(=O)C[n+]3cccc(/C=N/[O-])c3)n2)cc1",
        "std_free_energy": -2.209329605102539,
        "relative_population": 0.9492890783490547
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.77,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]