[
  {
    "molid": "mol19271",
    "smiles": "CN(C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(CN(C)C)c2O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(C[NH+](C)C)c2[O-])c1O",
        "std_free_energy": -4.701769828796387,
        "relative_population": 0.7521454658981268
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CN(C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(C[NH+](C)C)c2O)c1[O-]",
        "std_free_energy": -3.4100255966186523,
        "relative_population": 0.20668285392753652
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(C[NH+](C)C)c2O)c1O",
        "std_free_energy": -8.320497512817383,
        "relative_population": 0.921433699997293
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(C[NH+](C)C)c2O)c1[O-]",
        "std_free_energy": -5.858509540557861,
        "relative_population": 0.07856630000270703
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]