[
  {
    "molid": "mol11423",
    "smiles": "CCOC(=O)NCc1c(NC(=O)OCC)nnn1C",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)[N-]c1nnn(C)c1CNC(=O)OCC",
        "std_free_energy": 0.8111204504966736,
        "relative_population": 0.9682135156953253
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCOC(=O)[N-]Cc1c([N-]C(=O)OCC)nnn1C",
        "std_free_energy": 8.148287773132324,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.94,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]