[
  {
    "molid": "mol7744",
    "smiles": "NNc1cccc2ncccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1cccc2ncccc12",
        "std_free_energy": -5.645732879638672,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NNc1cccc2[nH+]cccc12",
        "std_free_energy": -3.6342835426330566,
        "relative_population": 0.6208230629143375
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]c1cccc2ncccc12",
        "std_free_energy": -2.094172477722168,
        "relative_population": 0.1330779509072707
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]Nc1cccc2ncccc12",
        "std_free_energy": -2.7089712619781494,
        "relative_population": 0.2460989861783918
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "[NH3+][NH2+]c1cccc2ncccc12",
        "std_free_energy": 3.5717360973358154,
        "relative_population": 0.8985129739654322
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "[NH3+]Nc1cccc2[nH+]cccc12",
        "std_free_energy": 6.102860927581787,
        "relative_population": 0.07149419913692075
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.3600001335144,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]