[
  {
    "molid": "mol4362",
    "smiles": "Cc1cc(C)c2nc(C)cc(N)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)c2nc(C)cc(N)c2c1",
        "std_free_energy": -2.2333850860595703,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)c2[nH+]c(C)cc(N)c2c1",
        "std_free_energy": -11.598962783813477,
        "relative_population": 0.6371500825049664
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C)c2nc(C)cc([NH3+])c2c1",
        "std_free_energy": -11.0359468460083,
        "relative_population": 0.3628499174950335
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(C)c2[nH+]c(C)cc([NH3+])c2c1",
        "std_free_energy": 21.38472557067871,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.39999997615814,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]