[
  {
    "molid": "mol15397",
    "smiles": "Cc1cc(Cc2cc(C)c(O)c(C)c2)c(O)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cc2cc(C)c(O)c(C)c2)c(O)c([N+](=O)[O-])c1",
        "std_free_energy": -5.766409397125244,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(Cc2cc(C)c([O-])c(C)c2)c(O)c([N+](=O)[O-])c1",
        "std_free_energy": -0.9951556921005249,
        "relative_population": 0.24787244159752905
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(Cc2cc(C)c(O)c(C)c2)c([O-])c([N+](=O)[O-])c1",
        "std_free_energy": -2.105147361755371,
        "relative_population": 0.7521275584024709
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(Cc2cc(C)c([O-])c(C)c2)c([O-])c([N+](=O)[O-])c1",
        "std_free_energy": 8.148937225341797,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.07,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.0699996948242,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]