[
  {
    "molid": "mol32196",
    "smiles": "CCOC(=O)Cc1csc(NC(=O)C[n+]2ccc(/C=N/O)cc2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)Cc1csc(NC(=O)C[n+]2ccc(/C=N/[O-])cc2)n1",
        "std_free_energy": -2.047170877456665,
        "relative_population": 0.06879580123644888
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CCOC(=O)Cc1csc([N-]C(=O)C[n+]2ccc(/C=N/O)cc2)n1",
        "std_free_energy": -4.640413761138916,
        "relative_population": 0.9200109739875155
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCOC(=O)Cc1csc([N-]C(=O)C[n+]2ccc(/C=N/[O-])cc2)n1",
        "std_free_energy": -1.5464065074920654,
        "relative_population": 0.9503207812403061
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]