[
  {
    "molid": "mol14478",
    "smiles": "CN(C)Cc1cccc(NC(=O)/C=N/O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)Cc1cccc(NC(=O)/C=N/O)c1",
        "std_free_energy": -4.324614524841309,
        "relative_population": 0.6185686081377225
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1cccc(NC(=O)/C=N/[O-])c1",
        "std_free_energy": -3.841137409210205,
        "relative_population": 0.3814313918622774
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)Cc1cccc(NC(=O)/C=N/O)c1",
        "std_free_energy": -8.962419509887695,
        "relative_population": 0.9829913706998831
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)Cc1cccc(NC(=O)/C=N/[O-])c1",
        "std_free_energy": 1.2998015880584717,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.12,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.28,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]