[
  {
    "molid": "mol4122",
    "smiles": "CN(C)c1cc(Cl)ncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cc(Cl)ncn1",
        "std_free_energy": -7.880423545837402,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1cc(Cl)ncn1",
        "std_free_energy": 2.1622202396392822,
        "relative_population": 0.29937778413577043
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1cc(Cl)nc[nH+]1",
        "std_free_energy": 2.3589680194854736,
        "relative_population": 0.24590824734909297
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1cc(Cl)[nH+]cn1",
        "std_free_energy": 1.744257926940918,
        "relative_population": 0.4547139685151367
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.42,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]