[
  {
    "molid": "mol8029",
    "smiles": "CC(=O)NN1C=C2OC(C)N=C2N(NC(C)=O)C1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)NN1C=C2O[C@@H](C)[NH+]=C2N(NC(C)=O)C1",
        "std_free_energy": -4.032297611236572,
        "relative_population": 0.9797659948973559
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC(=O)NN1C[NH+](NC(C)=O)C=C2O[C@@H](C)[NH+]=C21",
        "std_free_energy": 13.393590927124023,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.48,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]