[
  {
    "molid": "mol5801",
    "smiles": "CN(C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)N",
        "std_free_energy": -3.7818663120269775,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)N",
        "std_free_energy": -4.816017150878906,
        "relative_population": 0.5299441867552506
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)[NH3+]",
        "std_free_energy": -4.696096897125244,
        "relative_population": 0.47005581324474954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.21,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.1599998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.21000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]