[
  {
    "molid": "mol3618",
    "smiles": "Nc1ccc(-c2ccncc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(-c2ccncc2)cc1",
        "std_free_energy": -5.260808944702148,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc(-c2cc[nH+]cc2)cc1",
        "std_free_energy": -3.6562721729278564,
        "relative_population": 0.7183058010005552
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(-c2ccncc2)cc1",
        "std_free_energy": -2.7201988697052,
        "relative_population": 0.2816941989994448
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]