[
  {
    "molid": "mol31510",
    "smiles": "CCC(=N\\O)/C(C)=N/O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(=N\\[O-])/C(C)=N/O",
        "std_free_energy": 1.4554229974746704,
        "relative_population": 0.5342283202302143
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC(=N\\O)/C(C)=N/[O-]",
        "std_free_energy": 1.5925507545471191,
        "relative_population": 0.4657716797697858
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCC(=N\\[O-])/C(C)=N/[O-]",
        "std_free_energy": 15.114882469177246,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.41,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]