[
  {
    "molid": "mol4483",
    "smiles": "Nc1cccc2[nH]cnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2[nH]cnc12",
        "std_free_energy": -5.584137916564941,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cccc2[nH]c[nH+]c12",
        "std_free_energy": -6.429355621337891,
        "relative_population": 0.9328163576545492
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2[nH]cnc12",
        "std_free_energy": -3.798577070236206,
        "relative_population": 0.0671836423454508
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+]c1cccc2[nH]c[nH+]c12",
        "std_free_energy": 6.138534069061279,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]