[
  {
    "molid": "mol3240",
    "smiles": "CC(=NO)C(C)(C)CCCN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=N[O-])C(C)(C)CCC[NH3+]",
        "std_free_energy": -2.0886783599853516,
        "relative_population": 0.46394027267858906
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=NO)C(C)(C)CCCN",
        "std_free_energy": -2.233168125152588,
        "relative_population": 0.5360597273214109
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=NO)C(C)(C)CCC[NH3+]",
        "std_free_energy": -9.80888843536377,
        "relative_population": 0.9945828074921083
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.14000034332275,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]