[
  {
    "molid": "mol14481",
    "smiles": "C[N+](C)(C)NC(=O)c1cccc([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)[N-]C(=O)c1cccc([N+](=O)[O-])c1",
        "std_free_energy": -5.0335540771484375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)NC(=O)c1cccc([N+](=O)[O-])c1",
        "std_free_energy": 2.9124245643615723,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.1600001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]