[
  {
    "molid": "mol13738",
    "smiles": "Cn1nncc1Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nncc1Nc1ccccc1",
        "std_free_energy": -7.501384735107422,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1[nH+]ncc1Nc1ccccc1",
        "std_free_energy": 4.844590187072754,
        "relative_population": 0.47124992739605415
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nncc1[NH2+]c1ccccc1",
        "std_free_energy": 5.853184700012207,
        "relative_population": 0.1718795725090577
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1n[nH+]cc1Nc1ccccc1",
        "std_free_energy": 5.122605800628662,
        "relative_population": 0.35687050009488824
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]