[
  {
    "molid": "mol31499",
    "smiles": "C/C(=N\\O)C(C)(C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\O)C(C)(C)N",
        "std_free_energy": -4.870789527893066,
        "relative_population": 0.939299011926526
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(=N\\[O-])C(C)(C)[NH3+]",
        "std_free_energy": -2.13161563873291,
        "relative_population": 0.06070098807347403
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=N\\O)C(C)(C)[NH3+]",
        "std_free_energy": -8.946507453918457,
        "relative_population": 0.9977183738162717
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]