[
  {
    "molid": "mol7399",
    "smiles": "Cc1cc(N(C)C)nc(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N(C)C)nc(C)n1",
        "std_free_energy": -4.715240001678467,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc([NH+](C)C)nc(C)n1",
        "std_free_energy": -5.505123615264893,
        "relative_population": 0.3480818202883981
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(N(C)C)nc(C)[nH+]1",
        "std_free_energy": -5.591750621795654,
        "relative_population": 0.37957969486803633
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(N(C)C)[nH+]c(C)n1",
        "std_free_energy": -5.259731769561768,
        "relative_population": 0.2723384848435655
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.72,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]