[
  {
    "molid": "mol15045",
    "smiles": "CN(C)c1ccc(/C=C/c2cc(N)c3ccccc3n2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/C=C/c2cc(N)c3ccccc3n2)cc1",
        "std_free_energy": -3.4737582206726074,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/C=C/c2cc(N)c3ccccc3[nH+]2)cc1",
        "std_free_energy": -9.840975761413574,
        "relative_population": 0.3974248573709792
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/C=C/c2cc([NH3+])c3ccccc3n2)cc1",
        "std_free_energy": -10.1088285446167,
        "relative_population": 0.5194957665223197
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(/C=C/c2cc(N)c3ccccc3n2)cc1",
        "std_free_energy": -8.275766372680664,
        "relative_population": 0.08307937610670112
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]