[
  {
    "molid": "mol6373",
    "smiles": "COc1ncccc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ncccc1N",
        "std_free_energy": -6.868929386138916,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1[nH+]cccc1N",
        "std_free_energy": -1.0340865850448608,
        "relative_population": 0.5624570294315268
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ncccc1[NH3+]",
        "std_free_energy": -0.782946765422821,
        "relative_population": 0.4375429705684733
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "COc1[nH+]cccc1[NH3+]",
        "std_free_energy": 15.10774040222168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.34999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -0.96,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -0.959999978542328,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]