[
  {
    "molid": "mol4307",
    "smiles": "Cc1ccccc1-n1nnnc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1-n1nnnc1N",
        "std_free_energy": -7.04209041595459,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccccc1-n1nn[nH+]c1N",
        "std_free_energy": 7.032129764556885,
        "relative_population": 0.16437815539261258
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1ccccc1-n1nnnc1[NH3+]",
        "std_free_energy": 5.499134063720703,
        "relative_population": 0.7614049155689141
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]