[
  {
    "molid": "mol14809",
    "smiles": "CN(C)c1ccc2nc3ccc(N)cc3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc2nc3ccc(N)cc3nc2c1",
        "std_free_energy": -7.753345489501953,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc2[nH+]c3ccc(N)cc3nc2c1",
        "std_free_energy": -5.893996238708496,
        "relative_population": 0.1421358781737776
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ccc2nc3ccc(N)cc3[nH+]c2c1",
        "std_free_energy": -7.5089287757873535,
        "relative_population": 0.7145950550655276
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1ccc2nc3ccc([NH3+])cc3nc2c1",
        "std_free_energy": -5.713664531707764,
        "relative_population": 0.11868249066830738
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]