[
  {
    "molid": "mol10233",
    "smiles": "CN(C)c1ccn(C)c(=O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccn(C)c(=O)n1",
        "std_free_energy": -6.85208797454834,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1ccc([NH+](C)C)nc1=O",
        "std_free_energy": -1.2143452167510986,
        "relative_population": 0.32145706162668797
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccn(C)c(=O)[nH+]1",
        "std_free_energy": -1.9614289999008179,
        "relative_population": 0.678542938373312
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.1999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]