[
  {
    "molid": "mol10721",
    "smiles": "CCCNC(C)(C)C(C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC[NH2+]C(C)(C)C(C)=N[O-]",
        "std_free_energy": -3.2854795455932617,
        "relative_population": 0.3594272700545759
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCNC(C)(C)C(C)=NO",
        "std_free_energy": -3.863330364227295,
        "relative_population": 0.640572729945424
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH2+]C(C)(C)C(C)=NO",
        "std_free_energy": -9.466745376586914,
        "relative_population": 0.9986605891200598
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]