[
  {
    "molid": "mol13596",
    "smiles": "Cc1cc(C)nc(N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)nc(N)c1",
        "std_free_energy": -4.055918216705322,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)nc([NH3+])c1",
        "std_free_energy": -5.630560398101807,
        "relative_population": 0.2071720300388609
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C)[nH+]c(N)c1",
        "std_free_energy": -6.972617149353027,
        "relative_population": 0.7928279699611391
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.84,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.8400002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]