[
  {
    "molid": "mol4197",
    "smiles": "COc1cc(C)nc(NN)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C)nc(NN)n1",
        "std_free_energy": -5.670490741729736,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc(C)[nH+]c(NN)n1",
        "std_free_energy": -5.179363250732422,
        "relative_population": 0.658546228415021
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1cc(C)nc([NH2+]N)n1",
        "std_free_energy": -3.5575168132781982,
        "relative_population": 0.13008502613723988
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "COc1cc(C)nc(NN)[nH+]1",
        "std_free_energy": -3.9042820930480957,
        "relative_population": 0.18400327633875768
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.1999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]