[
  {
    "molid": "mol944",
    "smiles": "C/C(=N\\O)C(C)(C)CCCCCN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\[O-])C(C)(C)CCCCC[NH3+]",
        "std_free_energy": -2.092374086380005,
        "relative_population": 0.5904282183318198
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(=N\\O)C(C)(C)CCCCCN",
        "std_free_energy": -1.7266381978988647,
        "relative_population": 0.4095717816681802
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=N\\O)C(C)(C)CCCCC[NH3+]",
        "std_free_energy": -9.79955005645752,
        "relative_population": 0.9927343440373035
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]