[
  {
    "molid": "mol14346",
    "smiles": "CN(C)c1ccc(NC(=O)/C=N/O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccc(NC(=O)/C=N/O)cc1",
        "std_free_energy": -6.287746429443359,
        "relative_population": 0.9955703646257991
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(NC(=O)/C=N/O)cc1",
        "std_free_energy": -2.7604405879974365,
        "relative_population": 0.8558544192094812
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc(NC(=O)/C=[NH+]/O)cc1",
        "std_free_energy": -0.9791640639305115,
        "relative_population": 0.14414558079051878
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(NC(=O)/C=N/[O-])cc1",
        "std_free_energy": -0.40988633036613464,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]