[
  {
    "molid": "mol19308",
    "smiles": "CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12",
        "std_free_energy": -5.935922622680664,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(C)c(C)[nH]c12",
        "std_free_energy": -3.921898603439331,
        "relative_population": 0.21305029156114608
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(C)c(C)[nH]c12",
        "std_free_energy": -5.228534698486328,
        "relative_population": 0.7869497084388539
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.57000017166138,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]