diff --git a/TADF/TADF_Est/Est.dat b/TADF/TADF_Est/Est.dat
new file mode 100644
index 000000000..f7dd5fa45
--- /dev/null
+++ b/TADF/TADF_Est/Est.dat
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diff --git a/TADF/TADF_Est/Test_Est.png b/TADF/TADF_Est/Test_Est.png
new file mode 100644
index 000000000..fb98a0b02
Binary files /dev/null and b/TADF/TADF_Est/Test_Est.png differ
diff --git a/TADF/TADF_Est/config/est.yaml b/TADF/TADF_Est/config/est.yaml
new file mode 100644
index 000000000..81a295d3e
--- /dev/null
+++ b/TADF/TADF_Est/config/est.yaml
@@ -0,0 +1,82 @@
+defaults: #
+  - ppsci_default #
+  - TRAIN: train_default #
+  - EVAL: eval_default #
+#  - INFER: infer_default #
+  - _self_ #
+
+hydra:
+  run:
+    # dynamic output directory according to running time and override name
+    dir: outputs_Est/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname} #
+  job:
+    name: ${mode} # name of logfile
+    chdir: false # keep current working directory unchanged
+  callbacks:
+    init_callback: #
+      _target_: ppsci.utils.callbacks.InitCallback #
+  sweep:
+    # output directory for multirun
+    dir: ${hydra.run.dir}
+    subdir: ./
+
+# general settings
+mode: eval # running mode: train/eval #
+seed: 42 #
+output_dir: ${hydra:run.dir} #
+log_freq: 20 #
+use_tbd: false #
+VIV_DATA_PATH: "./f.dat" #
+
+# model settings
+MODEL: #
+#  input_keys: tuple(x.keys()) #
+  output_keys: ["u"] #
+#  num_layers: None #
+#  hidden_size:
+#    - 587
+#    - 256 #
+  activation: "relu" #
+  dropout: 0.5
+
+# training settings
+TRAIN: #
+  epochs: 200 #
+  iters_per_epoch: 20 #
+  save_freq: 100 #
+  eval_during_train: False #
+  batch_size: 8 #
+  learning_rate: 0.0001
+  save_model_path: './est_model.pth'
+  weight_decay: 1e-5
+  pretrained_model_path: null #
+  checkpoint_path: null #
+  k: 9
+  i: 2
+
+# evaluation settings
+EVAL:
+  test_size: 0.1
+  load_model_path: './est_model.pth'
+  seed: 20
+#  pretrained_model_path: null #
+#  batch_size: 32 #
+
+# inference settings
+#INFER: #
+#  pretrained_model_path: "https://github.com/YfB1125/PaddleScience/blob/dev_model/TADF/f/output/checkpoints/latest.pdparams" #
+#  export_path: ./inference/viv #
+#  pdmodel_path: ${INFER.export_path}.pdmodel #
+#  pdiparams_path: ${INFER.export_path}.pdiparams #
+#  input_keys: ${MODEL.input_keys} #
+#  output_keys: ["u"]  #
+#  device: cpu #
+#  engine: native #
+#  precision: fp32 #
+#  ir_optim: true #
+#  min_subgraph_size: 10 #
+#  gpu_mem: 4000 #
+#  gpu_id: 0 #
+#  max_batch_size: 64 #
+#  num_cpu_threads: 4 #
+#  batch_size: 16 #
diff --git a/TADF/TADF_Est/est_model.pth b/TADF/TADF_Est/est_model.pth
new file mode 100644
index 000000000..0289bf1e9
Binary files /dev/null and b/TADF/TADF_Est/est_model.pth differ
diff --git a/TADF/TADF_Est/est_ppsci.py b/TADF/TADF_Est/est_ppsci.py
new file mode 100644
index 000000000..f9f243fad
--- /dev/null
+++ b/TADF/TADF_Est/est_ppsci.py
@@ -0,0 +1,177 @@
+import os
+
+import hydra
+import matplotlib.pyplot as plt
+import numpy as np
+import paddle
+import rdkit.Chem as Chem
+from omegaconf import DictConfig
+from rdkit.Chem import AllChem
+from sklearn.decomposition import PCA
+from sklearn.metrics import r2_score
+from sklearn.model_selection import train_test_split
+
+import ppsci
+
+os.environ["HYDRA_FULL_ERROR"] = "1"
+os.environ["KMP_DUPLICATE_LIB_OK"] = "True"
+plt.rcParams["axes.unicode_minus"] = False
+plt.rcParams["font.sans-serif"] = ["DejaVu Sans"]
+
+# 加载数据集
+data = []
+for line in open("./est.dat"):
+    num = float(line.strip())
+    data.append(num)
+smis = []
+for line in open("./smis.txt"):
+    smis.append(line.strip())
+vectors = []
+del_mol = []
+for num in smis:
+    mol = Chem.MolFromSmiles(num)
+    try:
+        fp = AllChem.GetMorganFingerprintAsBitVect(mol, radius=2, nBits=2048)
+        _input = np.array(list(map(float, fp.ToBitString())))
+        vectors.append(_input)
+    except Exception:
+        del_mol.append(num)
+pca = PCA(n_components=0.99)
+pca.fit(vectors)
+Xlist = paddle.to_tensor(pca.transform(vectors))
+
+
+def train(cfg: DictConfig):
+    # 划分数据集
+    def k_fold(k, i, X, Y):
+        fold_size = tuple(X.shape)[0] // k
+        val_start = i * fold_size
+        if i != k - 1:
+            val_end = (i + 1) * fold_size
+            x_val, y_val = X[val_start:val_end], Y[val_start:val_end]
+            x_train = np.concatenate((X[0:val_start], X[val_end:]), axis=0)
+            y_train = np.concatenate((Y[0:val_start], Y[val_end:]), axis=0)
+        else:
+            x_val, y_val = X[val_start:], Y[val_start:]
+            x_train = X[0:val_start]
+            y_train = Y[0:val_start]
+        return x_train, y_train, x_val, y_val
+
+    x_train, y_train, x_test, y_test = k_fold(cfg.TRAIN.k, cfg.TRAIN.i, Xlist, data)
+    # 处理数据集
+    x_train = paddle.to_tensor(x_train, dtype="float32")
+    x = {
+        "key_{}".format(i): paddle.unsqueeze(
+            paddle.to_tensor(x_train[:, i], dtype="float32"), axis=1
+        )
+        for i in range(x_train.shape[1])
+    }
+    y_train = paddle.unsqueeze(paddle.to_tensor(y_train, dtype="float32"), axis=1)
+
+    # 构建约束
+    bc_sup = ppsci.constraint.SupervisedConstraint(
+        dataloader_cfg={
+            "dataset": {
+                "input": x,
+                "label": {"u": y_train},
+                "name": "IterableNamedArrayDataset",
+            },
+            "batch_size": cfg.TRAIN.batch_size,
+        },
+        loss=ppsci.loss.MSELoss("mean"),
+        name="bc_sup",
+    )
+
+    # 设置模型
+    hidden_size = [587, 256]
+    num_layers = None
+    # 实例化模型
+    model = ppsci.arch.DNN(
+        input_keys=tuple(x.keys()),
+        hidden_size=hidden_size,
+        num_layers=num_layers,
+        **cfg.MODEL,
+    )
+    optimizer = ppsci.optimizer.optimizer.Adam(
+        cfg.TRAIN.learning_rate,
+        beta1=(0.9, 0.99)[0],
+        beta2=(0.9, 0.99)[1],
+        weight_decay=cfg.TRAIN.weight_decay,
+    )(model)
+    # 构建Solver
+    solver = ppsci.solver.Solver(
+        model,
+        constraint={
+            "bc_sup": bc_sup,
+        },
+        optimizer=optimizer,
+        epochs=cfg.TRAIN.epochs,
+        eval_during_train=False,
+        iters_per_epoch=cfg.TRAIN.iters_per_epoch,
+        seed=cfg.seed,
+    )
+    try:
+        solver.train()
+    except Exception as ex:
+        print("error", ex)
+    paddle.save(model.state_dict(), cfg.TRAIN.save_model_path)
+
+
+# 进行测试
+def eval(cfg: DictConfig):
+    # 重新划分数据集
+    x_train, x_test, y_train, y_test = train_test_split(
+        Xlist, data, test_size=cfg.EVAL.test_size, random_state=cfg.EVAL.seed
+    )
+    x = {
+        "key_{}".format(i): paddle.unsqueeze(
+            paddle.to_tensor(x_test[:, i], "float32"), axis=1
+        )
+        for i in range(x_test.shape[1])
+    }
+    hidden_size = [587, 256]
+    num_layers = None
+    model = ppsci.arch.DNN(
+        input_keys=tuple(x.keys()),
+        hidden_size=hidden_size,
+        num_layers=num_layers,
+        **cfg.MODEL,
+    )
+    model.set_state_dict(paddle.load(cfg.EVAL.load_model_path))
+    ytest = paddle.unsqueeze(paddle.to_tensor(y_test, dtype="float32"), axis=1)
+    ypred = model(x)
+    ytest = {"u": ytest}
+
+    # 计算损失
+    loss = ppsci.metric.MAE()
+    MAE = loss(ypred, ytest).get("u").numpy()
+    loss = ppsci.metric.RMSE()
+    RMSE = loss(ypred, ytest).get("u").numpy()
+    ypred = ypred.get("u").numpy()
+    ytest = ytest.get("u").numpy()
+    R2 = r2_score(ytest, ypred)
+    print("MAE", MAE)
+    print("RMSE", RMSE)
+    print("R2", R2)
+
+    # 可视化
+    plt.scatter(ytest, ypred, s=15, color="royalblue", marker="s", linewidth=1)
+    plt.plot([ytest.min(), ytest.max()], [ytest.min(), ytest.max()], "r-", lw=1)
+    plt.legend(title="R²={:.3f}\n\nMAE={:.3f}".format(R2, MAE))
+    plt.xlabel("Test ΔEst(eV)")
+    plt.ylabel("Predicted ΔEst(eV)")
+    plt.show()
+
+
+@hydra.main(version_base=None, config_path="./config", config_name="est.yaml")
+def main(cfg: DictConfig):
+    if cfg.mode == "train":
+        train(cfg)
+    elif cfg.mode == "eval":
+        eval(cfg)
+    else:
+        raise ValueError(f"cfg.mode should in ['train', 'eval'], but got '{cfg.mode}'")
+
+
+if __name__ == "__main__":
+    main()
diff --git a/TADF/TADF_Est/output/checkpoints/latest.pdopt b/TADF/TADF_Est/output/checkpoints/latest.pdopt
new file mode 100644
index 000000000..8b57993ea
Binary files /dev/null and b/TADF/TADF_Est/output/checkpoints/latest.pdopt differ
diff --git a/TADF/TADF_Est/output/checkpoints/latest.pdparams b/TADF/TADF_Est/output/checkpoints/latest.pdparams
new file mode 100644
index 000000000..0289bf1e9
Binary files /dev/null and b/TADF/TADF_Est/output/checkpoints/latest.pdparams differ
diff --git a/TADF/TADF_Est/output/checkpoints/latest.pdstates b/TADF/TADF_Est/output/checkpoints/latest.pdstates
new file mode 100644
index 000000000..88e75c56b
Binary files /dev/null and b/TADF/TADF_Est/output/checkpoints/latest.pdstates differ
diff --git a/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/config.yaml b/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/config.yaml
new file mode 100644
index 000000000..deb61381e
--- /dev/null
+++ b/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/config.yaml
@@ -0,0 +1,47 @@
+mode: train
+output_dir: ${hydra:run.dir}
+log_freq: 20
+seed: 42
+use_vdl: false
+use_tbd: false
+wandb_config: null
+use_wandb: false
+device: gpu
+use_amp: false
+amp_level: O1
+to_static: false
+prim: false
+log_level: info
+TRAIN:
+  epochs: 200
+  iters_per_epoch: 20
+  update_freq: 1
+  save_freq: 100
+  eval_during_train: false
+  start_eval_epoch: 1
+  eval_freq: 1
+  checkpoint_path: null
+  pretrained_model_path: null
+  ema: null
+  swa: null
+  batch_size: 8
+  learning_rate: 0.0001
+  save_model_path: ./est_model.pth
+  weight_decay: 1.0e-05
+  k: 9
+  i: 2
+EVAL:
+  pretrained_model_path: null
+  eval_with_no_grad: false
+  compute_metric_by_batch: false
+  batch_size: 256
+  test_size: 0.1
+  load_model_path: ./est_model.pth
+  seed: 20
+INFER: null
+VIV_DATA_PATH: ./f.dat
+MODEL:
+  output_keys:
+  - u
+  activation: relu
+  dropout: 0.5
diff --git a/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/hydra.yaml b/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/hydra.yaml
new file mode 100644
index 000000000..8414ab441
--- /dev/null
+++ b/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/hydra.yaml
@@ -0,0 +1,158 @@
+hydra:
+  run:
+    dir: outputs_Est/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][HYDRA] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    loggers:
+      logging_example:
+        level: DEBUG
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task: []
+  job:
+    name: ${mode}
+    chdir: false
+    override_dirname: ''
+    id: ???
+    num: ???
+    config_name: est.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: C:\Users\41541\TADF\TADF_Est
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: C:\Users\41541\TADF\TADF_Est\config
+      schema: file
+      provider: main
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: C:\Users\41541\TADF\TADF_Est\outputs_Est\2024-10-15\23-53-31
+    choices:
+      EVAL: eval_default
+      TRAIN: train_default
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: default
+      hydra/hydra_logging: default
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false
diff --git a/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/overrides.yaml b/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/overrides.yaml
new file mode 100644
index 000000000..fe51488c7
--- /dev/null
+++ b/TADF/TADF_Est/outputs_Est/2024-10-15/23-53-31/.hydra/overrides.yaml
@@ -0,0 +1 @@
+[]
diff --git a/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/config.yaml b/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/config.yaml
new file mode 100644
index 000000000..5e539d481
--- /dev/null
+++ b/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/config.yaml
@@ -0,0 +1,47 @@
+mode: eval
+output_dir: ${hydra:run.dir}
+log_freq: 20
+seed: 42
+use_vdl: false
+use_tbd: false
+wandb_config: null
+use_wandb: false
+device: gpu
+use_amp: false
+amp_level: O1
+to_static: false
+prim: false
+log_level: info
+TRAIN:
+  epochs: 200
+  iters_per_epoch: 20
+  update_freq: 1
+  save_freq: 100
+  eval_during_train: false
+  start_eval_epoch: 1
+  eval_freq: 1
+  checkpoint_path: null
+  pretrained_model_path: null
+  ema: null
+  swa: null
+  batch_size: 8
+  learning_rate: 0.0001
+  save_model_path: ./est_model.pth
+  weight_decay: 1.0e-05
+  k: 9
+  i: 2
+EVAL:
+  pretrained_model_path: null
+  eval_with_no_grad: false
+  compute_metric_by_batch: false
+  batch_size: 256
+  test_size: 0.1
+  load_model_path: ./est_model.pth
+  seed: 20
+INFER: null
+VIV_DATA_PATH: ./f.dat
+MODEL:
+  output_keys:
+  - u
+  activation: relu
+  dropout: 0.5
diff --git a/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/hydra.yaml b/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/hydra.yaml
new file mode 100644
index 000000000..b2f2e79e3
--- /dev/null
+++ b/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/hydra.yaml
@@ -0,0 +1,158 @@
+hydra:
+  run:
+    dir: outputs_Est/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][HYDRA] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    loggers:
+      logging_example:
+        level: DEBUG
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task: []
+  job:
+    name: ${mode}
+    chdir: false
+    override_dirname: ''
+    id: ???
+    num: ???
+    config_name: est.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: C:\Users\41541\TADF\TADF_Est
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: C:\Users\41541\TADF\TADF_Est\config
+      schema: file
+      provider: main
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: C:\Users\41541\TADF\TADF_Est\outputs_Est\2024-10-16\01-43-54
+    choices:
+      EVAL: eval_default
+      TRAIN: train_default
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: default
+      hydra/hydra_logging: default
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false
diff --git a/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/overrides.yaml b/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/overrides.yaml
new file mode 100644
index 000000000..fe51488c7
--- /dev/null
+++ b/TADF/TADF_Est/outputs_Est/2024-10-16/01-43-54/.hydra/overrides.yaml
@@ -0,0 +1 @@
+[]
diff --git a/TADF/TADF_Est/smis.txt b/TADF/TADF_Est/smis.txt
new file mode 100644
index 000000000..06fd4771c
--- /dev/null
+++ b/TADF/TADF_Est/smis.txt
@@ -0,0 +1,5136 @@
+c1cc(-c2c3ccoc3cc3ccoc23)n[nH]1
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+c1cc2ccc(-c3nc4cc5nc[nH]c5cc4[nH]3)cc2[nH]1
+c1cc2ccc(-c3nc4nc5nc[nH]c5nc4[nH]3)cc2[nH]1
+c1cc2cnc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)cc2[nH]1
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+c1cc2cnc(-c3coc4cc5[nH]ccc5cc34)cc2[nH]1
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+c1cc2nc3c(-c4c5ncsc5cc5ncsc45)c[nH]c3nc2o1
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+c1cc2nc3c(-c4coc5cc6ccoc6cc45)coc3nc2[nH]1
+c1cc2nc3c(-c4nc5nc6ocnc6nc5o4)c[nH]c3nc2o1
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+c1cc2[nH]c3ccc(-c4cc5nc6cc[nH]c6nc5o4)cc3c2cn1
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+c1cc2[nH]c3ccc(-c4nc5nc6nc[nH]c6nc5[nH]4)cc3c2cn1
+c1cc2[nH]c3ccc(-c4ncon4)cc3c2cn1
+c1cc2[nH]c3ccnc(-c4c5ccoc5cc5ccoc45)c3c2cn1
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+c1cc2[nH]c3ccnc(-c4cnoc4)c3c2cn1
+c1cc2[nH]c3ccnc(-c4ncno4)c3c2cn1
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+c1cc2[nH]cc(-c3ccn[nH]3)c2cn1
+c1cc2[nH]cc(-c3cncc4c3[nH]c3ccncc34)c2cn1
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+c1cc2[nH]ccc2c(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)n1
+c1cc2[nH]ccc2c(-c2ccc3ccoc3c2)n1
+c1ccc(-c2c3[nH]ccc3cc3ccoc23)c(-c2cnccn2)c1
+c1ccc(-c2c3[nH]cnc3cc3nc[nH]c23)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1(c2nccc(c2)c2ccc3CCc4c(cccc4)Nc3c2)ncccc1
+c1ccc(-c2cc(-c3ccc4c(n3)sc3ncccc34)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4c5c3CCCN5CCC4)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4[nH]c5c(ccc6[nH]c7ccccc7c65)c4c3)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4[nH]c5ccc6c7ccccc7[nH]c6c5c4c3)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4c3sc3ncccc34)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4c3[nH]c3cnccc34)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4c5ccccc5c5nccnc5c34)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4cnc5ccccc5c34)ccn2)nc1
+c1ccc(-c2cc(-c3cncc4[nH]c5ccccc5c34)ccn2)nc1
+c1ccc(-c2cc(-c3coc4cc5ccoc5cc34)ccn2)nc1
+c1ccc(-c2cc(-c3coc4nc5[nH]ccc5nc34)ccn2)nc1
+c1ccc(-c2cc(-c3nccc4[nH]c5ccccc5c34)ccn2)nc1
+c1ccc(-c2cc3c4c(c2-c2cc5cccnc5c5ncccc25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cc5cnccc5[nH]2)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5c2[nH]c2ncccc25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5cnc6ccccc6c25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5ocnc25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5sc6ccccc6c25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cncc5[nH]c6ccccc6c25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4ccccc4[nH]c3c3c2[nH]c2ccccc23)c(-c2cnccn2)c1
+c1ccc(-c2cc3nc4cc[nH]c4nc3o2)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2cc3nc4cc[nH]c4nc3o2)c(-c2cnccn2)c1
+c1(c2ncc(cc2)N2c3c(Sc4c2cccc4)cccc3)ncccc1
+c1ccc(-c2ccc(-c3c4cc[nH]c4cc4occc34)cn2)nc1
+c1ccc(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cn2)nc1
+c1(c2ncc(cc2)c2cc3c(Sc4c(cccc4)N3)cc2)ncccc1
+c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cn2)nc1
+c1ccc(-c2ccc(-c3ccc4c(c3)Oc3ccccc3O4)cn2)nc1
+c1ccc(-c2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc(-c4cc5c6c(c4)CCCN6CCC5)c3)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c3cnc3ccccc34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c3[nH]c3cnccc34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c5ccccc5c5nc[nH]c5c34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c5ccccc5c5[nH]cnc5c34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4cc[nH]c34)cn2)nc1
+c1ccc(-c2ccc(-c3ccnnc3)cn2)nc1
+c1ccc(-c2ccc(-c3cnc4oc5ccccc5c4c3)cn2)nc1
+c1ccc(-c2ccc(-c3cnc4sc5ncccc5c4c3)cn2)nc1
+c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5[nH]c43)cn2)nc1
+c1ccc(-c2ccc(-n3c4ccccc4c4cnccc43)cn2)nc1
+c1ccc(-c2ccc3c(c2)[nH]c2cnccc23)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2ccc3ccc4cccnc4c3n2)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2ccc3nn[nH]c3c2)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2cccc(-c3c4ccoc4cc4ccoc34)n2)nc1
+c1ccc(-c2cccc(-c3c4cc[nH]c4cc4occc34)n2)nc1
+c1ccc(-c2cccc(-c3cc4cc5occc5cc4o3)n2)nc1
+c1ccc(-c2cccc(-c3cc4[nH]c5ccccc5c4c4[nH]c5ccccc5c34)n2)nc1
+c1(c2ncccc2)nc(ccc1)c1cc2CCc3c(cccc3)Nc2cc1
+c1ccc(-c2cccc(-c3ccc4c(c3)[nH]c3c4ccc4[nH]c5ccccc5c43)n2)nc1
+c1ccc(-c2cccc(-c3ccc4cc[nH]c4c3)n2)nc1
+c1ccc(-c2cccc(-c3ccc4ncoc4c3)n2)nc1
+c1ccc(-c2cccc(-c3ccc4[nH]c5c(ccc6[nH]c7ccccc7c65)c4c3)n2)nc1
+c1ccc(-c2cccc(-c3cccc(-c4cc5c6c(c4)CCCN6CCC5)c3)n2)nc1
+c1(c2ncccc2)nc(ccc1)c1c2CCc3c(cccc3)Nc2ccc1
+c1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)n2)nc1
+c1ccc(-c2cccc(-c3cccc4oc5ccccc5c34)n2)nc1
+c1ccc(-c2cccc(-c3cccc4ocnc34)n2)nc1
+c1ccc(-c2cccc(-c3cccc4sccc34)n2)nc1
+c1ccc(-c2cccc(-c3cccc4[nH]c5ccc6c7ccccc7[nH]c6c5c34)n2)nc1
+c1ccc(-c2cccc(-c3cccnn3)n2)nc1
+c1ccc(-c2cccc(-c3cnc4oc5ccccc5c4c3)n2)nc1
+c1ccc(-c2cccc(-c3cnc4sc5ccccc5c4c3)n2)nc1
+c1ccc(-c2cccc(-c3coc4cc5ccoc5cc34)n2)nc1
+c1ccc(-c2cccc(-c3coc4nc5[nH]ccc5nc34)n2)nc1
+c1ccc(-c2cccc(-n3c4ccccc4c4c5ccccc5[nH]c43)n2)nc1
+c1ccc(-c2cccc3c2[nH]c2ccc4c5ccccc5[nH]c4c23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3c2[nH]c2ccncc23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3c2[nH]c2ncccc23)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2cccc3c4ccccc4c4nccnc4c23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3c4ccccc4c4nc[nH]c4c23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3cc[nH]c23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3ocnc23)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2cccc3sc4ncccc4c23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3[nH]c4ccc5c6ccccc6[nH]c5c4c23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3[nH]c4ccncc4c23)c(-c2cnccn2)c1
+c1ccc(-c2cccc3[nH]nnc23)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2ccn[nH]2)c(-c2cnccn2)c1
+c1ccc(-c2cnc(-c3c4ccoc4cc4ccoc34)cn2)cc1
+c1ccc(-c2cnc(-c3c4ncoc4cc4ncoc34)cn2)cc1
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+n1oc(cc1)N1c2c(CCc3c1cccc3)cccc2
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+c1ccc2c(c1)ccn2-c1c2[nH]cnc2cc2nc[nH]c12
+c1ccc2c(c1)ccn2-c1c2[nH]cnc2nc2nc[nH]c12
+c1ccc2c(c1)ccn2-c1ccc2[nH]c3cnccc3c2c1
+c1ccc2c(c1)ccn2-c1cccc2c1sc1ccccc12
+c1ccc2c(c1)ccn2-c1cccc2ocnc12
+c1ccc2c(c1)ccn2-c1cccc2sc3ccccc3c12
+c1ccc2c(c1)ccn2-c1ccno1
+c1ccc2c(c1)ccn2-c1cnc2ccccc2n1
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+c1ccc2c(c1)ccn2-c1coc2nc3[nH]ccc3nc12
+c1ccc2c(c1)ccn2-c1nccc2c1[nH]c1ccccc12
+c1ccc2c(c1)cnc1c(-c3cc4[nH]c5ccccc5c4cn3)cccc12
+c1ccc2c(c1)cnc1c(-c3ccc4c(c3)c3ccccc3c3[nH]cnc43)cccc12
+c1ccc2c(c1)cnc1c(-c3ccc4c(c3)sc3ccccc34)cccc12
+c1ccc2c(c1)cnc1c(-c3ccc4ccsc4c3)cccc12
+c1ccc2c(c1)cnc1c(-c3ccc4cc[nH]c4c3)cccc12
+c1ccc2c(c1)cnc1c(-c3ccc4oc5ccccc5c4c3)cccc12
+c1ccc2c(c1)cnc1c(-c3ccc4scnc4c3)cccc12
+c1ccc2c(c1)cnc1c(-c3cccc4c3[nH]c3ncccc34)cccc12
+c1ccc2c(c1)cnc1c(-c3cccc4c5ccccc5c5nccnc5c34)cccc12
+c1ccc2c(c1)cnc1c(-c3cnc4c5ccccc5c5ccccc5c4n3)cccc12
+c1ccc2c(c1)cnc1c(-c3cnc4sc5ccccc5c4c3)cccc12
+c1ccc2c(c1)cnc1c(-c3cnc4[nH]c5ccccc5c4c3)cccc12
+c1ccc2c(c1)cnc1c(-c3cn[nH]c3)cccc12
+c1ccc2c(c1)cnc1c(-c3coc4ccccc34)cccc12
+c1ccc2c(c1)cnc1c(-c3nc4nc5nc[nH]c5nc4[nH]3)cccc12
+c1ccc2c(c1)cnc1c(-n3ccc4nc5ccoc5nc43)cccc12
+c1ccc2c(c1)cnc1cc(-c3cc4c5ccccc5[nH]c4c4c3[nH]c3ccccc34)ccc12
+c1ccc2c(c1)cnc1cc(-c3cc4cccnc4c4ncccc34)ccc12
+c1ccc2c(c1)cnc1cc(-c3ccc4c(c3)c3ccccc3c3nc[nH]c43)ccc12
+c1ccc2c(c1)cnc1cc(-c3ccc4c(c3)[nH]c3ccc5c6ccccc6[nH]c5c34)ccc12
+c1ccc2c(c1)cnc1cc(-c3ccc4c(c3)[nH]c3ccncc34)ccc12
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+c1cnc2nc(-n3c4ccccc4c4c5ccccc5[nH]c43)ccc2c1
+c1cnc2nc(-n3c4ccccc4c4ccncc43)ccc2c1
+c1cnc2ncc(-c3c4ccoc4cc4ccoc34)cc2c1
+c1cnc2ncc(-c3cc4nc5cc[nH]c5nc4o3)cc2c1
+c1cnc2ncc(-c3cc4[nH]c5ccccc5c4cn3)cc2c1
+c1cnc2ncc(-c3ccc4c(c3)[nH]c3cnccc34)cc2c1
+c1cnc2ncc(-c3ccc4c(n3)sc3ccccc34)cc2c1
+c1cnc2ncc(-c3ccc4[nH]c5ccncc5c4c3)cc2c1
+c1cnc2ncc(-c3ccc4[nH]c5cnccc5c4c3)cc2c1
+c1cnc2ncc(-c3cccc4c3cnc3ccccc34)cc2c1
+c1cnc2ncc(-c3cccc4c3[nH]c3cnccc34)cc2c1
+c1cnc2ncc(-c3cccc4c3[nH]c3[nH]c5ccccc5c34)cc2c1
+c1cnc2ncc(-c3cccc4c5ccccc5c5[nH]cnc5c34)cc2c1
+c1cnc2ncc(-c3cccc4scnc34)cc2c1
+c1cnc2ncc(-c3cc[nH]n3)cc2c1
+c1cnc2ncc(-c3cncc4c3[nH]c3ccccc34)cc2c1
+c1cnc2ncc(-c3coc4nc5[nH]ccc5nc34)cc2c1
+c1cnc2ncc(-c3nc4ccccc4s3)cc2c1
+c1cnc2ncc(-c3nccc4[nH]c5ccccc5c34)cc2c1
+c1cnc2ncc(-n3cnc4c5ccccc5c5ccccc5c43)cc2c1
+c1cnc2nccc(-c3cc4[nH]c5ccncc5c4cn3)c2c1
+c1cnc2nccc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)c2c1
+c1cnc2nccc(-c3ccc4c5ccccc5c5nccnc5c4c3)c2c1
+c1cnc2nccc(-c3ccc4ccsc4c3)c2c1
+c1cnc2nccc(-c3ccc4occc4c3)c2c1
+c1cnc2nccc(-c3ccc4sc5ncccc5c4c3)c2c1
+c1cnc2nccc(-c3cccc4c5[nH]cnc5c5ccccc5c34)c2c1
+c1cnc2nccc(-c3nc4nc5nc[nH]c5nc4[nH]3)c2c1
+c1cnc2nccc(-n3c4ccccc4c4ccncc43)c2c1
+c1cnc2nccc(-n3ccc4cc5ccoc5cc43)c2c1
+c1cnc2nccc(-n3cnc4c5ccccc5c5ccccc5c43)c2c1
+c1cnc2oc3c(-c4c5[nH]cnc5cc5nc[nH]c45)cccc3c2c1
+c1cnc2oc3c(-c4ccc5ncoc5c4)cccc3c2c1
+c1cnc2oc3c(-c4cnc5nccnc5n4)cccc3c2c1
+c1cnc2oc3c(-c4cncc5c4[nH]c4ccncc45)cccc3c2c1
+c1cnc2oc3c(-c4ncon4)cccc3c2c1
+c1cnc2oc3cc(-c4c5[nH]cnc5cc5nc[nH]c45)ccc3c2c1
+c1cnc2oc3cc(-c4cc5nc6cc[nH]c6nc5o4)ccc3c2c1
+c1cnc2oc3cc(-c4ccc5ncoc5c4)ccc3c2c1
+c1cnc2oc3cc(-c4cccc5c4[nH]c4cnccc45)ccc3c2c1
+c1cnc2oc3cc(-c4c[nH]c5ccncc45)ccc3c2c1
+c1cnc2oc3cc(-n4cnc5cc6nc[nH]c6cc54)ccc3c2c1
+c1cnc2oc3ccc(-c4c5[nH]cnc5nc5nc[nH]c45)cc3c2c1
+c1cnc2oc3ccc(-c4cc5cnccc5[nH]4)cc3c2c1
+c1cnc2oc3ccc(-c4cc5nc6cc[nH]c6nc5o4)cc3c2c1
+c1cnc2oc3ccc(-c4cc5[nH]c6ccncc6c5cn4)cc3c2c1
+c1cnc2oc3ccc(-c4ccc5c(c4)[nH]c4cnccc45)cc3c2c1
+c1cnc2oc3ccc(-c4ccc5sccc5c4)cc3c2c1
+c1cnc2oc3ccc(-c4c[nH]c5ccncc45)cc3c2c1
+c1cnc2oc3ccc(-c4nc5cc6nc[nH]c6cc5[nH]4)cc3c2c1
+c1cnc2sc3c(-c4c5[nH]cnc5nc5nc[nH]c45)cccc3c2c1
+c1cnc2sc3c(-c4cncs4)cccc3c2c1
+c1cnc2sc3c(-c4nc5cc6nc[nH]c6cc5[nH]4)cccc3c2c1
+c1cnc2sc3c(-c4nc5nc6ocnc6nc5o4)cccc3c2c1
+c1cnc2sc3c(-c4nccs4)cccc3c2c1
+c1cnc2sc3c(-c4ncon4)cccc3c2c1
+c1cnc2sc3c(-n4cnc5nc6nc[nH]c6cc54)cccc3c2c1
+c1cnc2sc3cc(-c4c5nc[nH]c5cc5[nH]cnc45)ccc3c2c1
+c1cnc2sc3cc(-c4cc5cnccc5[nH]4)ccc3c2c1
+c1cnc2sc3cc(-c4coc5cc6ccoc6cc45)ccc3c2c1
+c1cnc2sc3cc(-c4c[nH]c5nc6occc6nc45)ccc3c2c1
+c1cnc2sc3cc(-c4ncno4)ccc3c2c1
+c1cnc2sc3cc(-n4c5ccccc5c5ccncc54)ccc3c2c1
+c1cnc2sc3ccc(-c4c5nc[nH]c5cc5[nH]cnc45)cc3c2c1
+c1cnc2sc3ccc(-c4cc5[nH]c6ccncc6c5cn4)cc3c2c1
+c1cnc2sc3ccc(-c4ccc(-c5cnccn5)cc4)cc3c2c1
+c1cnc2sc3ccc(-c4nc5nc6ocnc6nc5o4)cc3c2c1
+c1cnc2sc3ccc(-c4nccc5[nH]c6ccncc6c45)cc3c2c1
+c1cnc2sc3ccc(-n4cnc5nc6nc[nH]c6cc54)cc3c2c1
+c1cnc2sc3nc(-c4c5[nH]cnc5nc5nc[nH]c45)ccc3c2c1
+c1cnc2sc3nc(-c4ccc5nn[nH]c5c4)ccc3c2c1
+c1cnc2sc3nc(-c4ccc5ocnc5c4)ccc3c2c1
+c1cnc2sc3nc(-c4ccc5[nH]nnc5c4)ccc3c2c1
+c1cnc2sc3nc(-c4cnoc4)ccc3c2c1
+c1cnc2sc3nc(-c4nc5nc6nc[nH]c6nc5[nH]4)ccc3c2c1
+c1cnc2sc3nc(-c4nccc5[nH]ccc45)ccc3c2c1
+c1cnc2sc3ncc(-c4cc5nc6ccoc6nc5[nH]4)cc3c2c1
+c1cnc2sc3ncc(-c4cscn4)cc3c2c1
+c1cnc2sc3ncc(-c4c[nH]c5nc6occc6nc45)cc3c2c1
+c1cnc2sc3ncc(-n4c5ccccc5c5ccncc54)cc3c2c1
+c1cnc2sc3ncc(-n4c5ccncc5c5cnccc54)cc3c2c1
+c1cnc2sc3ncc(-n4cnc5nc6nc[nH]c6nc54)cc3c2c1
+c1cnc2sc3nccc(-c4cc5cnccc5[nH]4)c3c2c1
+c1cnc2sc3nccc(-c4ccc5ncoc5c4)c3c2c1
+c1cnc2sc3nccc(-c4ccc5ocnc5c4)c3c2c1
+c1cnc2sc3nccc(-c4ccon4)c3c2c1
+c1cnc2sc3nccc(-c4cnc5nccnc5n4)c3c2c1
+c1cnc2sc3nccc(-c4nc5nc6nc[nH]c6cc5[nH]4)c3c2c1
+c1cnc2sc3nccc(-n4c5ccccc5c5ccncc54)c3c2c1
+c1cnc2[nH]c3c(-c4c5cc[nH]c5cc5occc45)cccc3c2c1
+c1cnc2[nH]c3c(-c4cc5cc6ccoc6cc5[nH]4)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5c(c4)c4ccccc4c4nccnc54)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5c6ccccc6c6nccnc6c5c4)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5oc6ncccc6c5c4)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5[nH]c6ccncc6c5c4)cccc3c2c1
+c1cnc2[nH]c3c(-c4c[nH]c5nc6occc6nc45)cccc3c2c1
+c1cnc2[nH]c3c(-c4nc5cc6ocnc6cc5o4)cccc3c2c1
+c1cnc2[nH]c3c(-c4nc5nc6nc[nH]c6nc5[nH]4)cccc3c2c1
+c1cnc2[nH]c3c(-c4nccc5[nH]c6ccncc6c45)cccc3c2c1
+c1cnc2[nH]c3cc(-c4c5ncoc5cc5ncoc45)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5c(n4)sc4ncccc45)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5c6ccccc6c6nc[nH]c6c5c4)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5occc5c4)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5[nH]c6ccncc6c5c4)ccc3c2c1
+c1cnc2[nH]c3cc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)ccc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5c(c4)oc4ncccc45)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5c6ccccc6c6nccnc6c5c4)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5ccoc5c4)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5oc6ncccc6c5c4)cc3c2c1
+c1cnc2[nH]c3ccc(-c4cccc5c6ccccc6c6[nH]cnc6c45)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccnc5sc6ncccc6c45)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccnnc4)cc3c2c1
+c1cnc2[nH]c3ccc(-n4c5ccccc5c5cnccc54)cc3c2c1
+c1cnc2[nH]c3ccc(-n4cnc5nc6nc[nH]c6nc54)cc3c2c1
+c1cnn(-c2ccc(-c3cnccn3)cc2)c1
+c1cnn(-c2ccc3[nH]nnc3c2)c1
+c1cnn(-c2cscn2)c1
+c1cnn(-c2c[nH]c3nc4occc4nc23)c1
+c1cnn(-n2cnc3nc4nc[nH]c4nc32)c1
+c1cnnc(-c2cc3cccnc3c3ncccc23)c1
+c1cnnc(-c2ccc(-c3cnccn3)cc2)c1
+c1cnnc(-c2ccc3c(c2)[nH]c2ncccc23)c1
+c1cnnc(-c2ccc3c(cnc4ccccc43)c2)c1
+c1cnnc(-c2ccc3sc4ccccc4c3c2)c1
+c1cnnc(-c2ccc3[nH]c4cnccc4c3c2)c1
+c1cnnc(-c2cccc3cnc4ccccc4c23)c1
+c1cnnc(-c2ccnc3c2ccc2cccnc23)c1
+c1cnnc(-c2ccnc3cccnc23)c1
+c1cnnc(-c2cnc3[nH]c4ccccc4c3c2)c1
+c1cnnc(-c2cncc3cc[nH]c23)c1
+c1cnnc(-c2cnoc2)c1
+c1cnnc(-c2cscn2)c1
+c1cnnc(-c2nccs2)c1
+c1cnnc(-n2nnc3ccccc32)c1
+c1csc(-c2c3ncsc3cc3ncsc23)n1
+c1csc(-c2cc3nc4ccoc4nc3[nH]2)n1
+c1csc(-c2ccc3ccsc3c2)n1
+c1csc(-c2cn[nH]c2)n1
+c1csc(-c2coc3cc4[nH]ccc4cc23)n1
+c1csc(-c2c[nH]c3nc4occc4nc23)n1
+c1nc(-c2ccc3sccc3c2)cs1
+c1nc(-n2ccc3nc4ccoc4nc32)no1
+c1nc2c(-c3c4ncsc4cc4ncsc34)c3nc[nH]c3cc2[nH]1
+c1nc2c(-c3ccc4c5c3CCCN5CCC4)c3nc[nH]c3cc2[nH]1
+c1nc2c(-c3ccc4ncsc4c3)c3ncoc3nc2o1
+c1nc2c(-c3ccc4nn[nH]c4c3)c3ncoc3nc2o1
+c1nc2c(-c3ccc4scnc4c3)c3ncoc3nc2o1
+c1nc2c(-c3ccc4[nH]nnc4c3)c3scnc3cc2s1
+c1nc2c(-c3nc4nc5nc[nH]c5nc4[nH]3)c3nc[nH]c3cc2[nH]1
+c1nc2c(-n3ccc4nc5ccoc5nc43)c3nc[nH]c3cc2[nH]1
+c1nc2cc(-c3ccc4ncsc4c3)ccc2o1
+c1nc2cc(-c3ccc4nn[nH]c4c3)ccc2o1
+c1nc2cc(-c3ccc4ocnc4c3)ccc2o1
+c1nc2cc(-c3cnoc3)ccc2s1
+c1nc2cc(-c3cscn3)ccc2o1
+c1nc2cc3nc(-c4cc5nc6ccoc6nc5[nH]4)[nH]c3cc2[nH]1
+c1nc2cc3nc(-c4ccc5ccsc5c4)[nH]c3cc2[nH]1
+c1nc2cc3nc(-c4ccc5scnc5c4)oc3nc2o1
+c1nc2cc3nc(-c4ccc5[nH]nnc5c4)oc3nc2o1
+c1nc2cc3nc(-c4c[nH]c5nc6occc6nc45)[nH]c3cc2[nH]1
+c1nc2cc3ncn(-c4c5cc[nH]c5cc5occc45)c3cc2[nH]1
+c1nc2cc3ncn(-c4cc5c6c(c4)CCCN6CCC5)c3cc2[nH]1
+c1nc2cc3ncn(-c4ccc5ccsc5c4)c3cc2[nH]1
+c1nc2cc3ncn(-c4ccc5scnc5c4)c3cc2[nH]1
+c1nc2cc3oc(-c4ccc5nn[nH]c5c4)nc3cc2o1
+c1nc2cc3oc(-c4cnoc4)nc3cc2o1
+c1nc2ccc(-c3c4ncoc4nc4ocnc34)cc2o1
+c1nc2ccc(-c3c4ncsc4cc4ncsc34)cc2o1
+c1nc2ccc(-c3cnoc3)cc2o1
+c1nc2ccc(-c3c[nH]c4nc5occc5nc34)cc2o1
+c1nc2ccc(-c3nc4nc5ocnc5nc4o3)cc2o1
+c1nc2nc3nc(-c4c5ncsc5cc5ncsc45)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4c5[nH]ccc5cc5ccoc45)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4cc5nc6ccoc6nc5[nH]4)[nH]c3cc2[nH]1
+c1nc2nc3nc(-c4ccc5scnc5c4)[nH]c3cc2[nH]1
+c1nc2nc3nc(-c4c[nH]c5nc6occc6nc45)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4nc5cc6ncoc6nc5o4)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4nc5nc6nc[nH]c6nc5[nH]4)[nH]c3cc2[nH]1
+c1nc2nc3nc(-c4nc5nc6nc[nH]c6nc5[nH]4)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4nc5nc6ocnc6nc5o4)[nH]c3nc2[nH]1
+c1nc2nc3ncn(-c4c5[nH]ccc5cc5ccoc45)c3cc2[nH]1
+c1nc2nc3ncn(-c4c5[nH]ccc5cc5ccoc45)c3nc2[nH]1
+c1nc2nc3ncn(-c4c5[nH]cnc5nc5nc[nH]c45)c3nc2[nH]1
+c1nc2nc3ncn(-c4cc5nc6ccoc6nc5[nH]4)c3cc2[nH]1
+c1nc2nc3ncn(-c4ccc(-c5cc6c7c(c5)CCCN7CCC6)cc4)c3nc2[nH]1
+c1nc2nc3ncn(-c4ccc5ncoc5c4)c3nc2[nH]1
+c1nc2nc3ncn(-c4ncon4)c3nc2[nH]1
+c1nc2nc3nc[nH]c3c(-c3c4ncoc4cc4ncoc34)c2[nH]1
+c1nc2nc3nc[nH]c3c(-c3ccc4ocnc4c3)c2[nH]1
+c1nc2nc3nc[nH]c3c(-c3c[nH]c4cc5occc5cc34)c2[nH]1
+c1nc2nc3oc(-c4c5ncsc5cc5ncsc45)nc3nc2o1
+c1nc2nc3oc(-c4ccc(-c5cc6c7c(c5)CCCN7CCC6)cc4)nc3nc2o1
+c1nc2nc3oc(-c4ccc5scnc5c4)nc3nc2o1
+c1ncc(-c2ccc3[nH]nnc3c2)s1
+c1noc(-c2c3ncsc3cc3ncsc23)n1
+c1noc(-c2cc3c4c(c2)CCCN4CCC3)n1
+c1noc(-c2ccc3ocnc3c2)n1
+c1noc(-c2coc3cc4ccoc4cc23)n1
+c1noc(-c2nc3cc4ocnc4cc3o2)n1
+c1noc(-c2nc3nc4nc[nH]c4nc3[nH]2)n1
+c1nocc1-c1ccc2c3c1CCCN3CCC2
+CC(=O)c1ccc(cc1)N1c2c(C(C)c3c1cccc3)cccc2
+CC(=O)c1ccc(-c2cc(C)c3[nH]c4c(C)cccc4c3c2)cc1
+CC(=O)c1ccc(-c2cc(N(C)C)c3ccccc3c2)cc1
+CC(=O)c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1
+CC(=O)c1ccc(-c2cc3c4ccccc4[nH]c3c3c2[nH]c2ccccc23)cc1
+CC(=O)c1ccc(-c2cc3cc4cc[nH]c4cc3o2)cc1
+CC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1
+CC(=O)c1ccc(cc1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+CC(=O)c1ccc(cc1)c1cc2c(Sc3c(cccc3)N2)cc1
+CC(=O)c1ccc(cc1)c1ccc2c(C(C)(c3c(cccc3)N2)C)c1
+CC(=O)c1ccc(cc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+CC(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2N3C)cc1
+CC(=O)c1ccc(-c2ccc3c(c2)[nH]c2ccc4c5ccccc5[nH]c4c23)cc1
+CC(=O)c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cc1
+CC(=O)c1ccc(-c2ccc3c(n2)sc2ccccc23)cc1
+CC(=O)c1ccc(-c2ccc3c4c(C)c(C)c(C)cc4n(C)c3c2)cc1
+CC(=O)c1ccc(-c2ccc3oc4ncccc4c3c2)cc1
+CC(=O)c1ccc(-c2ccc3[nH]c4ccc5c6ccccc6[nH]c5c4c3c2)cc1
+CC(=O)c1ccc(-c2cccc(N)c2)cc1
+CC(=O)c1ccc(-c2cccc3c(=O)c4ccccc4[nH]c23)cc1
+CC(=O)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1
+CC(=O)c1ccc(cc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+CC(=O)c1ccc(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+CC(=O)c1ccc(-c2cccc3c2ncc2ccccc23)cc1
+CC(=O)c1ccc(-c2cccc3c2[nH]c2[nH]c4ccccc4c23)cc1
+CC(=O)c1ccc(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+CC(=O)c1ccc(-c2cccc3oc4ccccc4c23)cc1
+CC(=O)c1ccc(-c2cccc3oc4ncccc4c23)cc1
+CC(=O)c1ccc(-c2cccc3occc23)cc1
+CC(=O)c1ccc(-c2cccc3scnc23)cc1
+CC(=O)c1ccc(-c2cccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c23)cc1
+CC(=O)c1ccc(-c2cccc3[nH]c4ccncc4c23)cc1
+CC(=O)c1ccc(-c2cc[nH]n2)cc1
+CC(=O)c1ccc(-c2coc3nc4[nH]ccc4nc23)cc1
+CC(=O)c1ccc(-c2nc3cc4scnc4cc3s2)cc1
+CC(=O)c1ccc(-c2nc3ccccc3o2)cc1
+CC(=O)c1ccc(-c2nccc3c2[nH]c2ccccc23)cc1
+CC(=O)c1ccc(-n2c3ccccc3c(=O)c3ccccc32)cc1
+CC(=O)c1ccc(-n2c3ccccc3c3ccc4[nH]c5ccccc5c4c32)cc1
+CC(=O)c1ccc(-n2c3ccccc3c3ccncc32)cc1
+CC(=O)c1ccc(-n2cnc3c4ccccc4c4ccccc4c32)cc1
+CC(=O)c1ccc(-n2nnc3ccccc32)cc1
+CC(=O)c1cccc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+CC(=O)c1cccc(-c2c(C)c(C)c(C)c3c4ccccc4n(C)c23)c1
+CC(=O)c1cccc(c1)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+CC(=O)c1cccc(c1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+CC(=O)c1cccc(-c2cc3ccccc3cc2N(C)C)c1
+CC(=O)c1cccc(-c2cc3ccccc3o2)c1
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+CC(=O)c1cccc(c1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+CC(=O)c1cccc(-c2ccc3c4ccccc4c4nc[nH]c4c3c2)c1
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+O=c1c2c(cc(cc2)c2cc3c(cc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+O=C1c2c(C(=O)C=C1)ccc(c2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(cc(cc2)c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)[nH]c2c1ccnc2
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+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(sc3c1cccc3c1cc3c(cc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c2c(oc1)c(ccc2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(nn[nH]2)cccc1c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(nn[nH]2)c(ccc1)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c1(c2ncccc2c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)ncccc1
+n1c2c(nccc2)c(cc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c2c(ncc(c2)c2cc3c(cc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccc1
+c12c(c(cnc2)c2cc3c(cc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+c12c(c(cnc2)c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)[nH]cc1
+c12c(cccc2)[nH]c2c1c(cnc2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1cc(sc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c(csc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+O=c1c2c(cccc2)[nH]cc1c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(ccnc2)[nH]cc1c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(c3c(n1c1cc4c(cc1)Nc1c5c6c(n(c7ccccc7)c5ccc1C4(C)C)cccc6)ccnc3)cncc2
+O=C1C=CC(=O)N1c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+n1c2c(c(c3c(nc[nH]3)c2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]c1
+O=c1c2c(cc(cc2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]cc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(b3c4c(oc5c3c(o1)ccc5)ccc(c4)c1c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc1)cccc2
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(cc(cc2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)cnc2c1cccc2
+c12c(scc1)cc(cc2)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+O=c1c2c(ccc(c2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]cc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
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+c12c(cccc2)cnc2c1c(ccc2)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(cccc2c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]c2c1ccnc2
+c12c(cccc2c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]c2ncccc12
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
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+N#Cc1c(c(C#N)c(cc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3)C#N
+N#Cc1ccc(c(C#N)c1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)c1ccc3c(c1)Nc1c(C3(C)C)cc3n(c4ccccc4)c4c(c3c1)cccc4)cccc2
+c12c(cc(cc2)c2ccc3c(c2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)cnc2c1cccc2
+c12c(cccc2)[nH]c2nc(ccc12)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c2nc(ccc2ccc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(ccc(c2)c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)cnc2c1cccc2
+c12c(cccc2)cnc2c1cc(cc2)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(nn[nH]2)ccc(c1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(nn[nH]2)cc(cc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+N#Cc1c(C#N)c(ccc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12-c3c(S(=O)(=O)c1cccc2)c(ccc3)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+O=C1c2c(C(=O)C=C1)cccc2c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(b3c4c(oc5c3c(o1)ccc5)c(ccc4)c1ccc3c(c1)Nc1c(C3(C)C)cc3n(c4ccccc4)c4c(c3c1)cccc4)cccc2
+c12c(nn[nH]2)c(ccc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+N#Cc1ccccc1c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(c2ncccc2c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ncccc1
+c1(c2nccc(c2)c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ncccc1
+n1c2c(ccc1)ccc1c2nccc1c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2c(nccc2)c(cc1)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(c2nc(cnc2)c2ccc3c(c2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)ccccc1
+c12c(c(cnc2)c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+n1cc(sc1)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1cc(sc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(cccc2)c(nc2c1cccc2)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c2nc3nc(c4ccc5c(c4)Nc4c6c7c(n(c8ccccc8)c6ccc4C5(C)C)cccc7)[nH]c3cc2[nH]c1
+n1c2nc3nc(c4ccc5c(c4)Nc4c(C5(C)C)cc5n(c6ccccc6)c6c(c5c4)cccc6)[nH]c3nc2[nH]c1
+c12c(ccnc2c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+n1ccsc1c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1cnoc1c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2nc3nc[nH]c3cc2n(c1)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2nc3nc[nH]c3cc2n(c1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+O=C1c2c(C(=O)C(=C1)c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c2c(nc3c(nco3)c2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)oc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)c(c2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccccc1
+N#Cc1c(c(C#N)cc(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4)C#N
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccccc1
+c12c(b3c4c(oc5c3c(o1)cc(c5)c1c3c(ccc1)Nc1c5c6c(n(c7ccccc7)c5ccc1C3(C)C)cccc6)cccc4)cccc2
+c12c(cc(nc2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+N#Cc1ccc(cc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(cc(cc2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]c2ncccc12
+n1c2c(nc(cc2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccc1
+O=C(c1cccc(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4)C(F)(F)F
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+O=C1c2c(C(=O)N1)cccc2c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(sc3c1cccc3c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+c12c(scc1)c(ccc2)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(nn[nH]2)cccc1c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+O=c1c2c(cccc2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+N#Cc1ccccc1c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(cccc2)[nH]c2nccc(c12)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1occ(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12nc3c(occ3c3c4c(ccc3)Nc3c5c6c(n(c7ccccc7)c5ccc3C4(C)C)cccc6)nc1[nH]cc2
+c12c(scc1c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c(csc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12nc3c(occ3)nc1[nH]cc2c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2c(nc3c(nc(o3)c3c4c(ccc3)Nc3c5c6c(n(c7ccccc7)c5ccc3C4(C)C)cccc6)c2)oc1
+n1c2c(cc3c(nc(c4c5c(ccc4)Nc4c6c7c(n(c8ccccc8)c6ccc4C5(C)C)cccc7)[nH]3)c2)[nH]c1
+c1(C#N)cnc(nc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(c2nccnc2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccccc1
+c12c(n(c3ncccc13)c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c2c(cc3c(nc[nH]3)c2c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)[nH]c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)c(c3)c3c4c(C(c5c(c6c7c(n(c8ccccc8)c6cc5)cccc7)N4)(C)C)ccc3)cc2)ccccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)c(c2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)ccccc1
+O=c1c2c(cccc2)[nH]c(c1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+N#Cc1c(c(C#N)c(cc1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1)C#N
+N#Cc1ccc(cc1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(scc1)cc(cc2)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(nn[nH]2)ccc(c1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(sc3c1cc(cc3)c1c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc1)cccc2
+O=c1c2c(ccc(c2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)[nH]cc1
+c12c(cccc2c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)cnc2c1cccc2
+c12c(nn[nH]2)cccc1c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(sc3c1c(ccc3)c1c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc1)cccc2
+c1(c2nccnc2)ccccc1c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c1(c2nccc(c2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)ncccc1
+c1(c2nc(cnc2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)ccccc1
+c12c(c3c(c(cnc3)c3c4c(C(c5c(c6c7c(n(c8ccccc8)c6cc5)cccc7)N4)(C)C)ccc3)[nH]2)cncc1
+c12nc3c(occ3c3c4c(C(c5c(c6c7c(n(c8ccccc8)c6cc5)cccc7)N4)(C)C)ccc3)nc1[nH]cc2
+n1c2nc3oc(nc3nc2oc1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(n(cc1)c1c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc1)ccnc2
+CC1(c2c(-c3c1cccc3)cccc2)N1c2c(C(C)(c3c1cccc3)C)cccc2
+O=C1c2c(C(=O)C(=C1)N1c3c(C(c4c1cccc4)(C)C)cc1n(c4ccccc4)c4c(c1c3)cccc4)cccc2
+O=C1c2c(C(=O)C(=C1)N1c3c(C(C)(c4c1cccc4)C)cccc3)cccc2
+O=C1c2c(C(=O)N1N1c3c4c5c(n(c6ccccc6)c4ccc3C(c3c1cccc3)(C)C)cccc5)cccc2
+O=C1C=CC(=O)N1N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+O=C1C=CC(=O)N1N1c2c(C(C)(c3c1cccc3)C)cccc2
+n1c2c(nc3c(nco3)c2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)oc1
+n1c2c(cc3c(nc[nH]3)c2N2c3c(C(C)(c4c2cccc4)C)cccc3)[nH]c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)ccccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)c(c2)N2c3c(C(C)(c4c2cccc4)C)cccc3)ccccc1
+c12c(b3c4c(oc5c3c(o1)cc(c5)N1c3c(C(c5c1cccc5)(C)C)cc1n(c5ccccc5)c5c(c1c3)cccc5)cccc4)cccc2
+n1c2c(ccc1)cc(c1c2nccc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2nccnc2)ccc(cc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+N#Cc1c(C#N)cc(cc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+N#Cc1c(c(C#N)c(cc1)N1c2c(C(C)(c3c1cccc3)C)cccc2)C#N
+N#Cc1ccc(cc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+O=c1c2c(cc(cc2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]cc1
+c12c(cccc2)cnc2c1ccc(c2)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c12c(cccc2)cnc2c1ccc(c2)N1c2c(C(C)(c3c1cccc3)C)cccc2
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)N1c3c(C(C)(c4c1cccc4)C)cccc3)cccc2
+c12c(sc3c1ccc(c3)N1c3c(C(c4c1cccc4)(C)C)cc1n(c4ccccc4)c4c(c1c3)cccc4)cccc2
+c12c(sc3c1ccc(c3)N1c3c(C(C)(c4c1cccc4)C)cccc3)cccc2
+c12c(cc(cc2)N2c3c(C(C)(c4c2cccc4)C)cccc3)cnc2c1cccc2
+c12c(cccc2)[nH]c2nc(ccc12)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(cccc2)[nH]c2nc(ccc12)N1c2c(C(C)(c3c1cccc3)C)cccc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)N1c3c5c6c(n(c7ccccc7)c5ccc3C(c3c1cccc3)(C)C)cccc6)cccc4)cccc2
+n1c2c(ccc1)ccc1c2nc(cc1)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(scc1)cc(cc2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(scc1)cc(cc2)N1c2c(C(C)(c3c1cccc3)C)cccc2
+c12nccnc1ccc(c2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(nn[nH]2)ccc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c12c(sc3c1cc(cc3)N1c3c4c5c(n(c6ccccc6)c4ccc3C(c3c1cccc3)(C)C)cccc5)cccc2
+c12c(ccc(c2)N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)[nH]c2c1ccnc2
+c12c(ccc(c2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]c2ncccc12
+c1(c2ncccc2)nc(ccc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2ncccc2)nc(ccc1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+N#Cc1cccc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+O=c1c2c(c(ccc2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]cc1
+c12c(c(ccc2)N2c3c(C(C)(c4c2cccc4)C)cccc3)cnc2c1cccc2
+c12c(cccc2N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)cnc2c1cccc2
+c12nccnc1c(ccc2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(scc1)cccc2N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c12c(cccc2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)[nH]c2c1ccnc2
+c12c(cccc2N2c3c(C(C)(c4c2cccc4)C)cccc3)[nH]c2c1ccnc2
+c12c(cccc2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)[nH]c2ncccc12
+c12c(cccc2N2c3c(C(C)(c4c2cccc4)C)cccc3)[nH]c2ncccc12
+O=c1c2c(cccc2N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]cc1
+c12c(nn[nH]2)c(ccc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2nccnc2)ccccc1N1c2c(C(C)(c3c1cccc3)C)cccc2
+N#Cc1ccccc1N1c2c(C(C)(c3c1cccc3)C)cccc2
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2ncccc2N2c3c(C(C)(c4c2cccc4)C)cccc3)ncccc1
+c1(c2nccc(c2)N2c3c(C(C)(c4c2cccc4)C)cccc3)ncccc1
+n1occc1N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+n1c2c(ccc1)ccc1c2ncc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+n1c2c(ccc1)ccc1c2ncc(c1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+n1c2ncc(cc2ccc1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+n1c2ncc(nc2ncc1)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c1(c2nc(cnc2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)ccccc1
+n1c(csc1)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(cccc2)[nH]c2c1ccnc2N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+n1cnoc1N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+O=c1c2c(n(cc1)N1c3c4c5c(n(c6ccccc6)c4ccc3C(c3c1cccc3)(C)C)cccc5)cccc2
+c12nc3c(occ3)nc1n(cc2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+n1c2nc3nc[nH]c3nc2n(c1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+Fc1c(c(c(c(F)c1c1c2c(C(C)(c3c(cccc3)N2)C)ccc1)F)F)F
+n1c2c(nc3c(nco3)c2c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)oc1
+n1c2c(cc3c(nc[nH]3)c2c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)[nH]c1
+N#Cc1cc(cc(C#N)c1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)c(c2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)ccccc1
+c12c(occ1)cc1c(oc(c1)c1c3c(C(C)(c4c(cccc4)N3)C)ccc1)c2
+c12c(ccnc2)[nH]c(c1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(c3c(cc(nc3)c3c4c(C(C)(c5c(cccc5)N4)C)ccc3)[nH]2)cncc1
+c1(c2ncc(cc2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)ncccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(cc(cc2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)[nH]c2ncccc12
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3c(C(C)(c5c(cccc5)N3)C)ccc1)cccc4)cccc2
+c12c(scc1)ccc(c2)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(ccc(c2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)[nH]c2ncccc12
+c12c(sc3c1c(ccc3)c1c3c(C(C)(c4c(cccc4)N3)C)ccc1)cccc2
+n1c2c(nccc2)c(cc1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c1(c2ncc(nc2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)ccccc1
+n1ccsc1c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(n(c3ncccc13)c1c3c(C(C)(c4c(cccc4)N3)C)ccc1)cccc2
+n1c2c(cc3c(nc[nH]3)c2c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)[nH]c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3c4c(c5c6c(n(c7ccccc7)c5c3)cccc6)Nc3c(C4(C)C)cccc3)cc2)ccccc1
+c12c(occ1)cc1c(oc(c1)c1c3c(c4c5c(n(c6ccccc6)c4c1)cccc5)Nc1c(C3(C)C)cccc1)c2
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+N#Cc1ccc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(cc(cc2)c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)cnc2c1cccc2
+n1c2c(nc(cc2)c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)ccc1
+c12c(scc1)ccc(c2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(nn[nH]2)cc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(b3c4c(oc5c3c(o1)ccc5)c(ccc4)c1c3c(c4c5c(n(c6ccccc6)c4c1)cccc5)Nc1c(C3(C)C)cccc1)cccc2
+O=c1c2c(cccc2c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)[nH]cc1
+c1(c2nccc(c2)c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)ncccc1
+n1c2c(nccc2)c(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1oc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12ncc(nc1cccc2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1c2ncc(cc2ccc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(cccc2)[nH]c2c1c(cnc2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1c(csc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1c2nc3oc(nc3nc2oc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c1(c2nccnc2c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)ccccc1
+n1ccsc1c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+O=c1c2c(n(cc1)c1c3c(c4c5c(n(c6ccccc6)c4c1)cccc5)Nc1c(C3(C)C)cccc1)cccc2
+c12nc3c(occ3)nc1n(cc2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+N#Cc1cc(C#N)cc(C#N)c1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+Fc1c(c(c(c(F)c1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3)F)F)F
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)ccccc1
+c1(c2ncc(cc2)c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)ncccc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3n(c5ccccc5)c5c(c3c3c(C(c6c(cccc6)N3)(C)C)c1)cccc5)cccc4)cccc2
+c12c(ccc(c2)c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)[nH]c2ncccc12
+O=c1c2c(ccc(c2)c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c12c(nn[nH]2)cccc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccccc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+n1c2ncccc2c(cc1)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c12c(ccnc2)[nH]cc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+n1ccsc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+CC1(c2c(-c3c1cccc3)cccc2)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+O=C1c2c(C(=O)N1c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)cccc2
+O=c1c2c(cc(cc2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)[nH]cc1
+c12c(b3c4c(oc5c3c(o1)ccc5)ccc(c4)c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)cccc2
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+O=C1c2c(C(=O)N1)cccc2c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+c12c(c(ccc2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)cnc2c1cccc2
+c12c(scc1)c(ccc2)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+c12c(cccc2)cnc2c1c(ccc2)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+n1c2c(oc1)cccc2c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+c12c(sc3c1c(ccc3)c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)cccc2
+c12c(nn[nH]2)c(ccc1)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+n1c2c(ncc(c2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)ccc1
+c1(c2nc(cnc2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)ccccc1
+c12c(occ1)cc1c(occ1c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)c2
+c12c(n(cc1)c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)ccnc2
+CC1(c2c(-c3c1cccc3)cccc2)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+O=C1C=CC(=O)N1c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(cc3c(nc[nH]3)c2c2c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc2)[nH]c1
+N#Cc1c(c(C#N)c(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1)C#N
+c12c(cccc2)cnc2c1ccc(c2)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3c(n(c5ccccc5)c5c3c3c(C(c6c(cccc6)N3)(C)C)cc5)ccc1)cccc4)cccc2
+n1c2c(nc(cc2)c2c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc2)ccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(oc1)cccc2c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(scc1)cccc2c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(nccc2)c(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1oc(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(ccc1)ccc1c2ncc(c1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(ncc(c2)c2c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc2)ccc1
+n1c2ncc(cc2ccc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1cc(sc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(occ1)cc1c(occ1c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)c2
+n1c2c(nc3c(nc(o3)c3c4c(n(c5ccccc5)c5c4c4c(C(c6c(cccc6)N4)(C)C)cc5)ccc3)c2)oc1
+c12c(n(c3c1ccnc3)c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)cccc2
+n1c2c(n(c1)c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)cc1c(nc[nH]1)c2
+n1c2nc3nc[nH]c3nc2n(c1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(nnn1c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)cccc2
+Fc1c(c(c(c(F)c1c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3)F)F)F
+c12c(cccc2)[nH]c2c1cc(nc2)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(occ1)cc1c(oc(c1)c1ccc3n(c4ccccc4)c4c(c3c1)c1c(C(c3c(cccc3)N1)(C)C)cc4)c2
+c12nc3c(oc(c3)c3ccc4n(c5ccccc5)c5c(c4c3)c3c(C(c4c(cccc4)N3)(C)C)cc5)nc1[nH]cc2
+c12c(cc(nc2)c2ccc3n(c4ccccc4)c4c(c3c2)c2c(C(c3c(cccc3)N2)(C)C)cc4)[nH]cc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+N#Cc1ccc(c(C#N)c1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(ccc(c2)c2ccc3n(c4ccccc4)c4c(c3c2)c2c(C(c3c(cccc3)N2)(C)C)cc4)cnc2c1cccc2
+c1(c2ncccc2)nc(ccc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(c(ccc2)c2ccc3n(c4ccccc4)c4c(c3c2)c2c(C(c3c(cccc3)N2)(C)C)cc4)[nH]c2ncccc12
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1oc(cc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2ncc(nc2ncc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12nc3c(occ3)nc1[nH]cc2c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(cc3c(nc(c4ccc5n(c6ccccc6)c6c(c5c4)c4c(C(c5c(cccc5)N4)(C)C)cc6)[nH]3)c2)[nH]c1
+n1c2nc3oc(nc3nc2oc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(n(c3c1ccnc3)c1ccc3n(c4ccccc4)c4c(c3c1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c2nc3nc[nH]c3nc2n(c1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2ncc(cc2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ncccc1
+N#Cc1ccc(c(C#N)c1)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(b3c4c(oc5c3c(o1)ccc5)ccc(c4)c1cc3n(c4ccccc4)c4c(c3cc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+O=C1c2c(C(=O)C=C1)ccc(c2)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)c1cc3n(c4ccccc4)c4c(c3cc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c2c(nc(cc2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ccc1
+O=C1c2c(C(=O)N1)cccc2c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(scc1)cccc2c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2nccc(c2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ncccc1
+n1c2c(ccc1)ccc1c2nccc1c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2ncc(nc2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ccccc1
+c12nc3c(occ3)nc1n(cc2)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+O=C1c2c(C(=O)N1c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+N#Cc1cc(C#N)cc(C#N)c1c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+Fc1c(c(c(c(F)c1c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3)F)F)F
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)c(c2)c2c3n(c4ccccc4)c4c(c3ccc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ccccc1
+c12c(c3c(cc(nc3)c3c4n(c5ccccc5)c5c(c4ccc3)c3c(C(c4c(cccc4)N3)(C)C)cc5)[nH]2)cncc1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(ccc1)ccc1c2nc(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(oc1)cc(cc2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(oc1)ccc(c2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(scc1)ccc(c2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+O=c1c2c(ccc(c2)c2c3n(c4ccccc4)c4c(c3ccc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(b3c4c(oc5c3c(o1)ccc5)cccc4c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+O=C(c1ccccc1c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3)C(F)(F)F
+c1(c2nccc(c2)c2c3n(c4ccccc4)c4c(c3ccc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ncccc1
+n1c2c(nc3c(nc(o3)c3c4n(c5ccccc5)c5c(c4ccc3)c3c(C(c4c(cccc4)N3)(C)C)cc5)c2)oc1
+n1c2c(oc1c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c(noc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+O=c1c2c(n(cc1)c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c2nc3nc[nH]c3c(c2[nH]c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+N#Cc1c(c(C#N)cc(c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1)C#N
+c12c(b3c4c(oc5c3c(o1)cc(c5)c1ccc(n3c5c(c6c3ccc3c6Nc6c(C3(C)C)cccc6)cccc5)cc1)cccc4)cccc2
+c12nc3c(oc(c3)c3ccc(n4c5c(c6c4ccc4c6Nc6c(C4(C)C)cccc6)cccc5)cc3)nc1[nH]cc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1ccc(n3c5c(c6c3ccc3c6Nc6c(C3(C)C)cccc6)cccc5)cc1)cccc4)cccc2
+c12c(ccc(c2)c2ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc2)cnc2c1cccc2
+c1(c2nccnc2)cccc(c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(c(ccc2)c2ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c2ncccc12
+N#Cc1ccccc1c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)[nH]c2nccc(c12)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+n1occ(c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(n(c3c1ccnc3)c1ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc1)cccc2
+c12c(n(cc1)c1ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc1)ccnc2
+N#Cc1cc(C#N)cc(C#N)c1c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+N#Cc1cc(cc(C#N)c1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cc(cc2)c2cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc2)cnc2c1cccc2
+n1c2c(ccc1)ccc1c2nc(cc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(sc3c1cc(cc3)c1cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc1)cccc2
+N#Cc1c(C#N)c(ccc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(c(ccc2)c2cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc2)[nH]c2ncccc12
+n1c2c(oc1)c(ccc2)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(c2nccc(c2)c2cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc2)ncccc1
+c12ncc(nc1cccc2)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c2ncc(nc2ncc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cccc2)[nH]c2ncc(cc12)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(ccnc2)[nH]cc1c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+N#Cc1cccc(C#N)c1c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+N#Cc1c(c(C#N)cc(c1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1)C#N
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3c(n4c5c(c6c4ccc4c6Nc6c(C4(C)C)cccc6)cccc5)cccc3)cc2)ccccc1
+c12c(c3c(cc(nc3)c3c(n4c5c(c6c4ccc4c6Nc6c(C4(C)C)cccc6)cccc5)cccc3)[nH]2)cncc1
+N#Cc1ccc(cc1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(cc(cc2)c2c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc2)[nH]c2c1ccnc2
+O=C(c1cccc(c1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1)C(F)(F)F
+c12c(b3c4c(oc5c3c(o1)ccc5)c(ccc4)c1c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc1)cccc2
+c1(c2nccc(c2)c2c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc2)ncccc1
+c12ncc(nc1cccc2)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(c(cnc2)c2c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc2)[nH]cc1
+n1ccsc1c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(n(c3ncccc13)c1c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc1)cccc2
+n1c2nc3nc[nH]c3nc2n(c1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+O=C1c2c(C(=O)N1c1cc3c(C(C)(c4c(cccc4)N3)C)cc1)cccc2
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)c1cc3c(C(C)(c4c(cccc4)N3)C)cc1)cccc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1cc3c(C(C)(c5c(cccc5)N3)C)cc1)cccc4)cccc2
+n1c2c(oc1)cc(cc2)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c12c(ccc(c2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)[nH]c2c1ccnc2
+O=c1c2c(ccc(c2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c1(c2nccnc2)cccc(c1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+N#Cc1cccc(c1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+O=c1c2c(c(ccc2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)[nH]cc1
+O=C1c2c(C(=O)C=C1)cccc2c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+N#Cc1ccccc1c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c1(c2ncccc2c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)ncccc1
+n1occc1c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+n1c2c(ncc(c2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)ccc1
+n1occ(c1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+n1c(csc1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+O=c1c2c(cccc2)[nH]cc1c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+O=c1c2c(cccc2)[nH]c(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c12c(b3c4c(oc5c3c(o1)cc(c5)c1c3c(n(c5ccccc5)c5c3cc3c(C(c6c(cccc6)N3)(C)C)c5)ccc1)cccc4)cccc2
+c12c(occ1)cc1c(oc(c1)c1c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc1)c2
+c12c(cc(nc2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)[nH]cc1
+N#Cc1ccc(c(C#N)c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c12c(cc(cc2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)cnc2c1cccc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3c(n(c5ccccc5)c5c3cc3c(C(c6c(cccc6)N3)(C)C)c5)ccc1)cccc4)cccc2
+O=c1c2c(ccc(c2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+N#Cc1cccc(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c12c(c(ccc2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)[nH]c2c1ccnc2
+n1c2c(oc1)c(ccc2)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c1(c2ncccc2c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)ncccc1
+c12c(cccc2)[nH]c2nccc(c12)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+n1occc1c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+n1occ(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+O=c1c2c(cccc2)[nH]cc1c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+n1c2nc3nc(c4c5c(n(c6ccccc6)c6c5cc5c(C(c7c(cccc7)N5)(C)C)c6)ccc4)[nH]c3cc2[nH]c1
+c12c(n(c3ncccc13)c1c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc1)cccc2
+n1c2nc3nc[nH]c3cc2n(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+O=C1c2c(C(=O)C(=C1)c1cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc1)cccc2
+O=C1c2c(C(=O)N1c1cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc1)cccc2
+O=C1C=CC(=O)N1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)c(c3)c3cc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)cc3)cc2)ccccc1
+O=c1c2c(cccc2)[nH]c(c1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(cccc2)[nH]c2c1cc(nc2)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12nc3c(occ3)nc1[nH]c(c2)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+N#Cc1c(C#N)cc(cc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+N#Cc1ccc(cc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(cccc2)[nH]c2nc(ccc12)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2c(nc(cc2)c2cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc2)ccc1
+c12c(nn[nH]2)ccc(c1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+O=C1c2c(C(=O)C=C1)cccc2c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(cccc2)cnc2c1cccc2c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(nn[nH]2)cccc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(scc1)cccc2c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+O=C(c1ccccc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1)C(F)(F)F
+c12ncc(nc1cccc2)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2ncc(cc2ccc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12nc3c(occ3c3cc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)cc3)nc1[nH]cc2
+O=c1c2c(cccc2)[nH]cc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(ccnc2)[nH]cc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2c(nc3c(nc(o3)c3cc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)cc3)c2)oc1
+n1ccsc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2c(n(c1)c1cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc1)cc1c(nc[nH]1)c2
+n1c2c(nc3c(nco3)c2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)oc1
+n1c2nc3nc[nH]c3c(c2[nH]c1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3ccc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)c3)cc2)ccccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)ccccc1
+c12c(occ1)cc1c(oc(c1)c1ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c1)c2
+n1c2c(ccc1)cc(c1c2nccc1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c1(c2nccnc2)cccc(c1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+O=C1c2c(C(=O)C=C1)cccc2c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(c(ccc2)c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)[nH]c2ncccc12
+c12c(nn[nH]2)cccc1c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(cccc2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)[nH]c2c1ccnc2
+c12c(cccc2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)[nH]c2ncccc12
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccccc1c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(ccnc2)[nH]cc1c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+n1c2c(nc3c(nc(o3)c3ccc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)c3)c2)oc1
+n1c2nc3oc(nc3nc2oc1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+n1c(noc1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(n(cc1)c1ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c1)ccnc2
+Fc1c(c(c(c(F)c1c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3)F)F)F
+N#Cc1c(c(C#N)cc(c1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3)C#N
+c12c(ccnc2)[nH]c(c1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+c12c(c3c(cc(nc3)c3c4n(c5ccccc5)c5c(c4ccc3)cc3c(C(c4c(cccc4)N3)(C)C)c5)[nH]2)cncc1
+c12c(cccc2)[nH]c2nc(ccc12)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(ccc1)ccc1c2nc(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(oc1)cc(cc2)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+O=c1c2c(ccc(c2)c2c3n(c4ccccc4)c4c(c3ccc2)cc2c(C(c3c(cccc3)N2)(C)C)c4)[nH]cc1
+c12c(cccc2)cnc2c1c(ccc2)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(oc1)c(ccc2)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2ncccc2c(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(nc3c(nc(o3)c3c4n(c5ccccc5)c5c(c4ccc3)cc3c(C(c4c(cccc4)N3)(C)C)c5)c2)oc1
+c1(C#N)cnc(nc1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2nc3nc[nH]c3nc2n(c1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+N#Cc1cc(C#N)cc(C#N)c1c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+Fc1c(c(c(c(F)c1c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1)F)F)F
+n1c2c(cc3c(nc[nH]3)c2c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c1
+n1c2c(c(c3c(nc[nH]3)c2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c1
+c12c(occ1)cc1c(oc(c1)c1ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc1)c2
+c12c(sc(c1)c1ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc1)cccc2
+O=c1c2c(cc(cc2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]cc1
+c12c(cc(cc2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c2ncccc12
+c12c(cc(cc2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)cnc2c1cccc2
+n1c2c(ccc1)ccc1c2nc(cc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)cnc2c1cc(cc2)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c1(c2ncccc2)nc(ccc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)cnc2c1cccc2c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(scc1)c(ccc2)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c2ncccc12
+n1c2c(nccc2)c(cc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)[nH]c2nccc(c12)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(occ1)cc1c(occ1c1ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc1)c2
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3cc(n4c5c(c6c4cc4c(c6)Nc6c(C4(C)C)cccc6)cccc5)ccc3)cc2)ccccc1
+n1c2c(ccc1)cc(c1c2nccc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+N#Cc1ccc(cc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=C1c2c(C(=O)N1)ccc(c2)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c2c(ccc1)ccc1c2nc(cc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(ccc(c2)c2cc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)ccc2)cnc2c1cccc2
+c1(c2ncccc2)nc(ccc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=C(c1cccc(c1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1)C(F)(F)F
+c12-c3c(S(=O)(=O)c1cccc2)c(ccc3)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(b3c4c(oc5c3c(o1)ccc5)cccc4c1cc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)ccc1)cccc2
+n1c2c(ccc1)ccc1c2nccc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c2ncccc2c(cc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cccc2)[nH]c2c1c(cnc2)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=c1c2c(cccc2)[nH]cc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cccc2)[nH]c2c1ccnc2c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(C#N)cncnc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1cnoc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c(noc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=c1c2c(n(cc1)c1cc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)ccc1)cccc2
+O=C1c2c(C(=O)N1c1c3n(c4ccccc4)c4c(c3cc3c1C(c1c(cccc1)N3)(C)C)cccc4)cccc2
+c12c(occ1)c(c1c(occ1)c2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+O=c1c2c(cccc2)[nH]c(c1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)c(c2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+c12c(cc(nc2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)[nH]cc1
+N#Cc1c(c(C#N)c(cc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3)C#N
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+O=C1c2c(C(=O)N1)ccc(c2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1c2c(ccc1)ccc1c2nc(cc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1c2nc(ccc2ccc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(cccc2)cnc2c1cc(cc2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1c2c(oc1)ccc(c2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(ccc(c2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)[nH]c2c1ccnc2
+O=C1c2c(C(=O)N1)cccc2c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+N#Cc1ccccc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(cccc2)[nH]c2nccc(c12)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c1(c2ncc(nc2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+n1c2ncc(cc2ccc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c1(c2nc(cnc2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+O=c1c2c(cccc2)[nH]cc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(ccnc2c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)[nH]cc1
+n1ccsc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1cnoc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(n(c3c1ccnc3)c1c3n(c4ccccc4)c4c(c3cc3c1C(c1c(cccc1)N3)(C)C)cccc4)cccc2
+O=C1c2c(C(=O)N1c1c(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cccc1)cccc2
+c12c(occ1)c(c1c(occ1)c2)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2c(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cccc2)ccccc1
+c12nc3c(oc(c3)c3c(n4c5c(c6c4cc4c(c6)Nc6c(C4(C)C)cccc6)cccc5)cccc3)nc1[nH]cc2
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+N#Cc1ccc(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+n1c2c(ccc1)ccc1c2nc(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(cccc2)cnc2c1c(ccc2)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccccc1c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+O=C(c1ccccc1c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1)C(F)(F)F
+n1c2ncccc2c(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(cccc2)[nH]c2nccc(c12)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12ncc(nc1cccc2)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+n1c2c(ncc(c2)c2c(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cccc2)ccc1
+c12c(cccc2)c(nc2c1cccc2)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+n1c2c(nc3c(nco3)c2c2ccc3c(C(C)(c4c(cccc4)N3)C)c2)oc1
+n1c2c(cc3c(nc[nH]3)c2c2ccc3c(C(C)(c4c(cccc4)N3)C)c2)[nH]c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)c(c3)c3ccc4c(C(C)(c5c(cccc5)N4)C)c3)cc2)ccccc1
+c12c(sc(c1)c1ccc3c(C(C)(c4c(cccc4)N3)C)c1)cccc2
+c12nc3c(oc(c3)c3ccc4c(C(C)(c5c(cccc5)N4)C)c3)nc1[nH]cc2
+N#Cc1c(C#N)cc(cc1)c1ccc2c(C(C)(c3c(cccc3)N2)C)c1
+N#Cc1c(c(C#N)c(cc1)c1ccc2c(C(C)(c3c(cccc3)N2)C)c1)C#N
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1ccc2c(C(C)(c3c(cccc3)N2)C)c1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1ccc2c(C(C)(c3c(cccc3)N2)C)c1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2c(C(C)(c3c(cccc3)N2)C)c1
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1ccc3c(C(C)(c5c(cccc5)N3)C)c1)cccc4)cccc2
+O=c1c2c(ccc(c2)c2ccc3c(C(C)(c4c(cccc4)N3)C)c2)[nH]cc1
+c12c(c(ccc2)c2ccc3c(C(C)(c4c(cccc4)N3)C)c2)[nH]c2ncccc12
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+N#Cc1ccc(cc1)c1ccc2c([C@H](C)c3c(cccc3)N2)c1
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+c12c(nn[nH]2)ccc(c1)c1ccc2c([C@@H](C)c3c(cccc3)N2)c1
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+n1c2c(oc1)cccc2c1ccc2c([C@H](C)c3c(cccc3)N2)c1
+N#Cc1ccccc1c1ccc2c([C@@H](C)c3c(cccc3)N2)c1
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+O=c1c2c(n(cc1)c1ccc3c([C@@H](C)c4c(cccc4)N3)c1)cccc2
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+n1c2c(oc1)ccc(c2)c1c2c(ccc1)Nc1c([C@H]2C)cccc1
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+Cc1cc2c(c(C)c1C)c1cc(-c3cccc4c3C(=O)c=cC4=O)ccc1n2C
+O=C1c2c(C(=O)N1)cccc2c1cc2c3c(n(c2cc1)C)cc(C)c(c3C)C
+Cc1cc2c(c(C)c1C)c1cc(-c3ccccc3C#N)ccc1n2C
+Cc1cc2c(c(C)c1C)c1cc(-c3ccnc4ncccc34)ccc1n2C
+Cc1cc2c(c(C)c1C)c1cc(-c3ccon3)ccc1n2C
+Cc1cc2c(c(C)c1C)c1cc(-c3cncc4[nH]c5ccccc5c34)ccc1n2C
+Cc1cc2c(c(C)c1C)c1cc(-c3cnoc3)ccc1n2C
+Cc1cc2c(c(C)c1C)c1cc(-c3coc4cc5ccoc5cc34)ccc1n2C
+Cc1cc2c(c(C)c1C)c1cc(-c3ncon3)ccc1n2C
+Cc1cc2c(c(C)c1C)c1cc(-n3c4ccccc4c4cccnc43)ccc1n2C
+O=C1c2c(C(=O)N1c1ccc3c4c(n(c3c1)C)cc(C)c(c4C)C)cccc2
+O=C1C=CC(=O)N1c1ccc2c3c(n(c2c1)C)cc(C)c(c3C)C
+Cc1cc2c(c(C)c1C)c1ccc(-c3c(C#N)cc(C#N)cc3C#N)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3c4nc[nH]c4cc4[nH]cnc34)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccc(C#N)cc3C#N)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccc4c(=O)cc[nH]c4c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccc4ccsc4c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccc4nn[nH]c4c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccc4sccc4c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccc4[nH]c5cnccc5c4c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccc4[nH]nnc4c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3cccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3cccc4sc5ccccc5c34)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3cccc4[nH]ccc(=O)c34)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ccccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3cnc4c(ccc5cccnc54)c3)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3c[nH]c4ccncc34)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3nccc4c3[nH]c3ccccc34)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3nccc4[nH]ccc34)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3ncncc3C#N)cc1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cc4[nH]c5ccncc5c4cn3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccc(C#N)c(C#N)c3C#N)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccc(C#N)cc3C#N)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccc4ncccc4n3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccc4[nH]c5cnccc5c4c3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccc4[nH]ccc(=O)c4c3)c1n2C
+O=C1c2c(C(=O)N1)cccc2c1c2c(c3c(n2C)cc(C)c(c3C)C)ccc1
+Cc1cc2c(c(C)c1C)c1cccc(-c3cccc4c3Oc3cccc5c3B4c3ccccc3O5)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cccc4[nH]ccc(=O)c34)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccccc3C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cccnc3-c3ccccn3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cnc4cccnc4c3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cncc4c3[nH]c3ccncc34)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cscn3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ncc(C#N)cn3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3nccc4[nH]ccc34)c1n2C
+Cc1cccc2c1[nH]c1c(C)c(-c3c(C#N)cccc3C#N)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3c4ncoc4nc4ocnc34)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)ccc3F)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cc(C#N)c(C#N)c(C#N)c3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cc4cccnc4c4ncccc34)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cc4[nH]ccc4cn3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3ccc(C#N)c(C#N)c3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3ccc(C#N)cc3C#N)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3ccc4sc5ccccc5c4c3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3ccc4[nH]nnc4c3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cccc(C(=O)C(F)(F)F)c3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cccc4c3ncc3ccccc34)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cccc4c3Oc3cccc5c3B4c3ccccc3O5)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cccc4c3[nH]c3ncccc34)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cccc4ncoc34)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cccnc3-c3ccccn3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3ccnc(-c4ccccn4)c3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3ccno3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cnc4ccccc4n3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3coc4nc5[nH]ccc5nc34)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3c[nH]c4ccncc34)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-n3c4ccccc4c4cccnc43)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-n3ccc(=O)c4ccccc43)ccc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3(C)-c4ccccc4-c4ccccc4-3)cc12
+O=C1C=C(C(=O)N1)c1cc2c3c(c(C)ccc3)[nH]c2c(C)c1
+Cc1cccc2c1[nH]c1c(C)cc(-c3c4[nH]cnc4nc4nc[nH]c34)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cc(C#N)cc(C#N)c3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cc4[nH]c5ccncc5c4cn3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc(C#N)c(C#N)c3C#N)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc(C#N)cc3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc4c(c3)-c3ccccc3-s-4(=O)=O)cc12
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c3c(c(C)ccc3)[nH]c2c(C)c1
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3O5)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc4c(c3)[nH]c3ncccc34)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc4nccnc4c3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc4ocnc4c3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cccc(-c4ccccn4)n3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cccc(-c4cnccn4)c3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)c3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cccc4c3-c(C)-c3ccccc3-4)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cccc4c3ncc3ccccc34)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cccc4[nH]c5ncccc5c34)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccon3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cnc(-c4ccccc4)cn3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3cnc4ccccc4n3)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3csc4ccccc34)cc12
+O=C1c2c(C(=O)N1c1c3c4c(c(C)ccc4)[nH]c3c(C)cc1)cccc2
+Cc1cccc2c1[nH]c1c(C)ccc(-c3c4ccoc4cc4ccoc34)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cc(C#N)c(C#N)c(C#N)c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cc(C(=O)c4ccccc4)ccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cc4[nH]ccc4cn3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(-c4cnccn4)cc3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(C#N)c(C#N)c3C#N)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(C(=O)C(F)(F)F)cc3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc4c(=O)cc[nH]c4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc4cnc5ccccc5c4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc4[nH]nnc4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cccc4c3-c(C)-c3ccccc3-4)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cccc4[nH]c5ncccc5c34)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccnc4cccnc34)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cnc4c(ccc5cccnc54)c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cnc4cccnc4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cncs3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cscn3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3nc4cc5nc[nH]c5cc4[nH]3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-n3cnc4cc5nc[nH]c5cc43)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-n3cnc4nc5nc[nH]c5cc43)c12
+O=C1C=C(C(=O)N1)n1c2c(c3c1c(C)ccc3)cccc2C
+Cc1cccc2c3cccc(C)c3n(-c3c4ncoc4nc4ocnc34)c12
+Cc1cccc2c3cccc(C)c3n(-c3c4[nH]cnc4cc4nc[nH]c34)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)ccc3F)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc(=O)c4ccccc4[nH]3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc4nc5cc[nH]c5nc4o3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc4[nH]ccc4cn3)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)-c(C)-c3ccccc3-4)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)-c3ccccc3-c-4C)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4c(n3)[nH]c3ccccc34)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4ncc5ccccc5c4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4[nH]c5ncccc5c4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cccc4c3-c3ccccc3-s-4(=O)=O)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccccc3C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccno3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cnc4ccccc4n3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cnc4cccnc4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cnc4[nH]c5ccccc5c4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cncc4[nH]c5ccccc5c34)c12
+Cc1cccc2c3cccc(C)c3n(-c3csc4ccccc34)c12
+Cc1cccc2c3cccc(C)c3n(-c3nc4nc5nc[nH]c5nc4[nH]3)c12
+Cc1cccc2c3cccc(C)c3n(-c3nccc4[nH]c5ccncc5c34)c12
+Cc1cccc2c3cccc(C)c3n(-n3ccc4nc5ccoc5nc43)c12
+CN(C)c1c(-c2(C)-c3ccccc3-c3ccccc3-2)ccc2ccccc12
+O=C1C=CC(=O)N1c1c(N(C)C)c2c(cc1)cccc2
+CN(C)c1c(-c2c3[nH]cnc3nc3nc[nH]c23)ccc2ccccc12
+CN(C)c1c(-c2cc(C#N)c(C#N)c(C#N)c2)ccc2ccccc12
+CN(C)c1c(-c2cc(F)ccc2-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)ccc2ccccc12
+CN(C)c1c(-c2cccc(C(=O)C(F)(F)F)c2)ccc2ccccc12
+CN(C)c1c(-c2cccc3c2[nH]c2ncccc23)ccc2ccccc12
+CN(C)c1c(-c2cccc3cnc4ccccc4c23)ccc2ccccc12
+CN(C)c1c(-c2cccc3ncoc23)ccc2ccccc12
+CN(C)c1c(-c2ccon2)ccc2ccccc12
+CN(C)c1c(-c2cnoc2)ccc2ccccc12
+CN(C)c1c(-c2c[nH]c3ccncc23)ccc2ccccc12
+CN(C)c1c(-c2nc3cc4nc[nH]c4cc3[nH]2)ccc2ccccc12
+CN(C)c1c(-c2nc3ccccc3o2)ccc2ccccc12
+CN(C)c1c(-n2c3ccccc3c3cccnc32)ccc2ccccc12
+CN(C)c1cc(-c2c3ncoc3nc3ocnc23)cc2ccccc12
+CN(C)c1cc(-c2c3[nH]cnc3nc3nc[nH]c23)cc2ccccc12
+CN(C)c1cc(-c2cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc2C(=O)c2ccccc2)c2ccccc2c1
+CN(C)c1cc(-c2cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc2C(=O)c2ccccc2)cc2ccccc12
+CN(C)c1cc(-c2cc(=O)c3ccccc3[nH]2)c2ccccc2c1
+CN(C)c1cc(-c2cc3cccnc3c3ncccc23)c2ccccc2c1
+CN(C)c1cc(-c2ccc(-c3cnccn3)cc2)c2ccccc2c1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(cccc2)cc(N(C)C)c1
+CN(C)c1cc(-c2ccc3c(c2)[nH]c2ncccc23)cc2ccccc12
+CN(C)c1cc(-c2ccc3c(cnc4ccccc43)c2)c2ccccc2c1
+CN(C)c1cc(-c2ccc3c(cnc4ccccc43)c2)cc2ccccc12
+CN(C)c1cc(-c2ccc3c(n2)[nH]c2ccccc23)cc2ccccc12
+CN(C)c1cc(-c2ccc3ncoc3c2)cc2ccccc12
+CN(C)c1cc(-c2ccc3nn[nH]c3c2)c2ccccc2c1
+CN(C)c1cc(-c2ccc3[nH]c4cnccc4c3c2)cc2ccccc12
+CN(C)c1cc(-c2cccc(-c3cnccn3)c2)c2ccccc2c1
+CN(C)c1cc(-c2cccc(C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)c2)cc2ccccc12
+CN(C)c1cc(-c2cccc3c(=O)cc[nH]c23)cc2ccccc12
+CN(C)c1cc(-c2cccc3c2C(=O)c=cC3=O)cc2ccccc12
+CN(C)c1cc(-c2cccc3c2ncc2ccccc23)cc2ccccc12
+CN(C)c1cc(-c2cccc3c2[nH]c2cnccc23)c2ccccc2c1
+CN(C)c1cc(-c2cccc3c2[nH]c2cnccc23)cc2ccccc12
+CN(C)c1cc(-c2cccc3nccnc23)c2ccccc2c1
+CN(C)c1cc(-c2cccc3ocnc23)c2ccccc2c1
+CN(C)c1cc(-c2ccccc2-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc2c1
+CN(C)c1cc(-c2ccccc2-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc2ccccc12
+CN(C)c1cc(-c2cccnc2-c2ccccn2)c2ccccc2c1
+CN(C)c1cc(-c2ccnc(-c3ccccn3)c2)c2ccccc2c1
+CN(C)c1cc(-c2ccnc3c2ccc2cccnc23)c2ccccc2c1
+CN(C)c1cc(-c2ccnc3cccnc23)c2ccccc2c1
+CN(C)c1cc(-c2coc3nc4[nH]ccc4nc23)cc2ccccc12
+CN(C)c1cc(-c2csc3ccccc23)c2ccccc2c1
+CN(C)c1cc(-c2nc3nc4nc[nH]c4nc3[nH]2)c2ccccc2c1
+CN(C)c1cc(-c2nccs2)cc2ccccc12
+CN(C)c1cc(-n2cnc3cc4nc[nH]c4cc32)cc2ccccc12
+CN(C)c1cc2ccccc2cc1-c1(C)-c2ccccc2-c2ccccc2-1
+O=C1C=C(C(=O)N1)c1c(N(C)C)cc2c(c1)cccc2
+O=C1c2c(C(=O)N1c1c(N(C)C)cc3c(c1)cccc3)cccc2
+O=C1C=CC(=O)N1c1c(N(C)C)cc2c(c1)cccc2
+CN(C)c1cc2ccccc2cc1-c1c(C#N)cc(C#N)cc1C#N
+CN(C)c1cc2ccccc2cc1-c1c(F)c(F)c(F)c(F)c1F
+CN(C)c1cc2ccccc2cc1-c1cc(C#N)c(C#N)c(C#N)c1
+CN(C)c1cc2ccccc2cc1-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2
+CN(C)c1cc2ccccc2cc1-c1cc2ccccc2s1
+CN(C)c1cc2ccccc2cc1-c1cc2cnccc2[nH]1
+CN(C)c1cc2ccccc2cc1-c1cc2nc3ccoc3nc2[nH]1
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)-c1ccccc1-s-2(=O)=O
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)-s(=O)(=O)-c1ccccc1-2
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)B1c3ccccc3Oc3cccc(c31)O2
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)Oc1cccc3c1B2c1ccccc1O3
+CN(C)c1cc2ccccc2cc1-c1ccc2cnc3ccccc3c2c1
+CN(C)c1cc2ccccc2cc1-c1cccc2ocnc12
+CN(C)c1cc2ccccc2cc1-c1ccnc2c1ccc1cccnc12
+CN(C)c1cc2ccccc2cc1-c1ccnc2ncccc12
+CN(C)c1cc2ccccc2cc1-c1cncs1
+CN(C)c1cc2ccccc2cc1-c1coc2nc3[nH]ccc3nc12
+CN(C)c1cc2ccccc2cc1-c1nccnc1-c1ccccc1
+CN(C)c1cc2ccccc2cc1-n1cnc2nc3nc[nH]c3cc21
+CN(C)c1ccc(-c2=cC(=O)c3ccccc3C2=O)c2ccccc12
+CN(C)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)c2ccccc12
+CN(C)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2F)c2ccccc12
+CN(C)c1ccc(-c2cc3cnccc3[nH]2)c2ccccc12
+CN(C)c1ccc(-c2cc3[nH]c4ccncc4c3cn2)c2ccccc12
+CN(C)c1ccc(-c2ccc(-c3cnccn3)cc2)c2ccccc12
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(c(N(C)C)cc1)cccc2
+CN(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)c2ccccc12
+CN(C)c1ccc(-c2ccc3ccsc3c2)c2ccccc12
+CN(C)c1ccc(-c2ccc3[nH]nnc3c2)c2ccccc12
+CN(C)c1ccc(-c2cccc3c2ncc2ccccc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3c2[nH]c2cnccc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3nccnc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3ocnc23)c2ccccc12
+CN(C)c1ccc(-c2ccnc3cccnc23)c2ccccc12
+CN(C)c1ccc(-c2ccno2)c2ccccc12
+CN(C)c1ccc(-c2nccnc2-c2ccccc2)c2ccccc12
+CN(C)c1ccc(-c2ncon2)c2ccccc12
+CN(C)c1ccc(-n2c3ccncc3c3cnccc32)c2ccccc12
+CN(C)c1ccc(-n2ccc3cnccc32)c2ccccc12
+CN(C)c1ccc(-n2cnc3cc4nc[nH]c4cc32)c2ccccc12
+CN(C)c1ccc(-n2cnc3nc4nc[nH]c4nc32)c2ccccc12
+CN(C)c1ccc2c(-c3c(F)c(F)c(F)c(F)c3F)cccc2c1
+CN(C)c1ccc2c(-c3c4[nH]cnc4nc4nc[nH]c34)cccc2c1
+CN(C)c1ccc2c(-c3cc4[nH]c5ccncc5c4cn3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4c(=O)cc[nH]c4c3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4c(c3)ncc3ccccc34)cccc2c1
+CN(C)c1ccc2c(-c3ccc4cccnc4n3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4cnc5ccccc5c4c3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4[nH]ccc(=O)c4c3)cccc2c1
+CN(C)c1ccc2c(-c3ccccc3C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)cccc2c1
+CN(C)c1ccc2c(-c3ccno3)cccc2c1
+CN(C)c1ccc2c(-c3ncc(C#N)cn3)cccc2c1
+CN(C)c1ccc2c(-n3ccc(=O)c4ccccc43)cccc2c1
+CN(C)c1ccc2cc(-c3c4nc[nH]c4cc4[nH]cnc34)ccc2c1
+CN(C)c1ccc2cc(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)ccc2c1
+CN(C)c1ccc2cc(-c3cc4nc5ccoc5nc4[nH]3)ccc2c1
+CN(C)c1ccc2cc(-c3cc4[nH]c5ccncc5c4cn3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc(-c4cnccn4)cc3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc4nn[nH]c4c3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc4sccc4c3)ccc2c1
+CN(C)c1ccc2cc(-c3cccc4c3sc3ccccc34)ccc2c1
+CN(C)c1ccc2cc(-c3cccc4ocnc34)ccc2c1
+CN(C)c1ccc2cc(-c3ccccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc2c1
+CN(C)c1ccc2cc(-c3ccccc3C#N)ccc2c1
+CN(C)c1ccc2cc(-c3cnc4nccnc4n3)ccc2c1
+CN(C)c1ccc2cc(-c3csc4ccccc34)ccc2c1
+CN(C)c1ccc2cc(-c3nc4ccccc4c4ccccc34)ccc2c1
+CN(C)c1ccc2cc(-c3nc4nc5nc[nH]c5nc4[nH]3)ccc2c1
+CN(C)c1ccc2cc(-c3nccs3)ccc2c1
+CN(C)c1ccc2cc(-n3c4ccccc4c4ccncc43)ccc2c1
+O=C1C=C(C(=O)N1)c1ccc2c(c1)cc(N(C)C)cc2
+CN(C)c1ccc2ccc(-c3cc(=O)c4ccccc4[nH]3)cc2c1
+CN(C)c1ccc2ccc(-c3ccc(C#N)c(C#N)c3C#N)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4c(c3)C(=O)c=cC4=O)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4c5c3Oc3ccccc3B5c3ccccc3O4)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4ncccc4n3)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4[nH]c5ncccc5c4c3)cc2c1
+CN(C)c1ccc2ccc(-c3cccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)c3)cc2c1
+CN(C)c1ccc2ccc(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)cc2c1
+O=C1c2c(C(=O)N1)cccc2c1ccc2c(c1)cc(N(C)C)cc2
+CN(C)c1ccc2ccc(-c3cccc4ccsc34)cc2c1
+CN(C)c1ccc2ccc(-c3cccc4[nH]c5ncccc5c34)cc2c1
+CN(C)c1ccc2ccc(-c3cccc4[nH]ccc(=O)c34)cc2c1
+CN(C)c1ccc2ccc(-c3ccnc4ncccc34)cc2c1
+CN(C)c1ccc2ccc(-c3cncc4cc[nH]c34)cc2c1
+CN(C)c1ccc2ccc(-n3ccc4cnccc43)cc2c1
+CN(C)c1ccc2ccc(-n3cnc4nc5nc[nH]c5nc43)cc2c1
+CN(C)c1ccc2cccc(-c3c4[nH]cnc4cc4nc[nH]c34)c2c1
+CN(C)c1ccc2cccc(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)c2c1
+CN(C)c1ccc2cccc(-c3cc(F)ccc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)c2c1
+CN(C)c1ccc2cccc(-c3ccc4c(c3)-c3ccccc3-s-4(=O)=O)c2c1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(ccc(N(C)C)c2)ccc1
+CN(C)c1ccc2cccc(-c3ccc4c(c3)[nH]c3ncccc34)c2c1
+CN(C)c1ccc2cccc(-c3ccc4c(n3)[nH]c3ccccc34)c2c1
+CN(C)c1ccc2cccc(-c3ccc4ncoc4c3)c2c1
+CN(C)c1ccc2cccc(-c3cccc(C(=O)C(F)(F)F)c3)c2c1
+CN(C)c1ccc2cccc(-c3cccc4c(=O)cc[nH]c34)c2c1
+CN(C)c1ccc2cccc(-c3cccc4c3B3c5ccccc5Oc5cccc(c53)O4)c2c1
+O=C1c2c(C(=O)N1)cccc2c1c2c(ccc(N(C)C)c2)ccc1
+CN(C)c1ccc2cccc(-c3cccc4ccsc34)c2c1
+CN(C)c1ccc2cccc(-c3cccnc3-c3ccccn3)c2c1
+CN(C)c1ccc2cccc(-c3ccnc4c3ccc3cccnc34)c2c1
+CN(C)c1ccc2cccc(-c3ccnc4cccnc34)c2c1
+CN(C)c1ccc2cccc(-c3cnc4c(ccc5cccnc54)c3)c2c1
+CN(C)c1ccc2cccc(-c3cnc4ncccc4c3)c2c1
+CN(C)c1ccc2cccc(-c3c[nH]c4ccncc34)c2c1
+CN(C)c1ccc2cccc(-c3nccs3)c2c1
+CN(C)c1ccc2cccc(-n3c4ccccc4c4ccncc43)c2c1
+CN(C)c1ccc2ccccc2c1-c1cc(C(=O)c2ccccc2)ccc1-c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1
+CN(C)c1ccc2ccccc2c1-c1cc(F)ccc1-c1nc(-c2ccc(F)cc2)nc(-c2ccc(C(=O)c3ccccc3)cc2)n1
+CN(C)c1ccc2ccccc2c1-c1cc2nc3ccoc3nc2[nH]1
+CN(C)c1ccc2ccccc2c1-c1cc2nc3cc[nH]c3nc2o1
+CN(C)c1ccc2ccccc2c1-c1ccc(C#N)c(C#N)c1C#N
+CN(C)c1ccc2ccccc2c1-c1ccc2c(cnc3ccccc32)c1
+CN(C)c1ccc2ccccc2c1-c1ccc2ccsc2c1
+CN(C)c1ccc2ccccc2c1-c1cccc(C#N)c1
+CN(C)c1ccc2ccccc2c1-c1cccc(C(=O)c2ccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cc2)c1
+CN(C)c1ccc2ccccc2c1-c1cccc2c1-s(=O)(=O)-c1ccccc1-2
+O=C1c2c(C(=O)N1)cccc2c1c(N(C)C)ccc2c1cccc2
+CN(C)c1ccc2ccccc2c1-c1cnc2ccccc2n1
+CN(C)c1ccc2ccccc2c1-c1cncs1
+CN(C)c1ccc2ccccc2c1-c1ncon1
+CN(C)c1cccc2c(-c3c(C#N)cc(C#N)cc3C#N)cccc12
+CN(C)c1cccc2c(-c3cc(C(=O)c4ccccc4)ccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cccc12
+CN(C)c1cccc2c(-c3cc(F)ccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(C(=O)c5ccccc5)cc4)n3)cccc12
+CN(C)c1cccc2c(-c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)cccc12
+CN(C)c1cccc2c(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)cccc12
+CN(C)c1cccc2c(-c3ccc4ncc5ccccc5c4c3)cccc12
+CN(C)c1cccc2c(-c3ccc4ncccc4n3)cccc12
+CN(C)c1cccc2c(-c3ccc4[nH]nnc4c3)cccc12
+CN(C)c1cccc2c(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)cccc12
+CN(C)c1cccc2c(-c3cccc4c3[nH]c3cnccc34)cccc12
+CN(C)c1cccc2c(-c3cccc4c3[nH]c3ncccc34)cccc12
+CN(C)c1cccc2c(-c3cccc4ccsc34)cccc12
+CN(C)c1cccc2c(-c3cccc4ncc5ccccc5c34)cccc12
+CN(C)c1cccc2c(-c3cccc4sc5ccccc5c34)cccc12
+CN(C)c1cccc2c(-c3cccc4[nH]ccc(=O)c34)cccc12
+CN(C)c1cccc2c(-c3ccccc3C(=O)C(F)(F)F)cccc12
+CN(C)c1cccc2c(-c3ccnc4cccnc34)cccc12
+CN(C)c1cccc2c(-c3cncc4[nH]c5ccccc5c34)cccc12
+CN(C)c1cccc2c(-c3c[nH]c4ccncc34)cccc12
+CN(C)c1cccc2c(-n3c4ccccc4c4ccncc43)cccc12
+CN(C)c1cccc2cc(-c3c(C#N)cccc3C#N)ccc12
+CN(C)c1cccc2cc(-c3ccc(-c4cnccn4)cc3)ccc12
+CN(C)c1cccc2cc(-c3ccc(C#N)cc3)ccc12
+CN(C)c1cccc2cc(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)ccc12
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(c(N(C)C)ccc2)cc1
+CN(C)c1cccc2cc(-c3ccc4c(n3)[nH]c3ccccc34)ccc12
+CN(C)c1cccc2cc(-c3ccc4nn[nH]c4c3)ccc12
+CN(C)c1cccc2cc(-c3cccc(C#N)c3)ccc12
+CN(C)c1cccc2cc(-c3cccc4[nH]c5cnccc5c34)ccc12
+CN(C)c1cccc2cc(-c3cccc4[nH]nnc34)ccc12
+CN(C)c1cccc2cc(-c3ccccc3-c3cnccn3)ccc12
+CN(C)c1cccc2cc(-c3cnc4ncccc4c3)ccc12
+CN(C)c1cccc2cc(-c3coc4nc5[nH]ccc5nc34)ccc12
+CN(C)c1cccc2cc(-c3cscn3)ccc12
+CN(C)c1cccc2cc(-c3c[nH]c4ccccc4c3=O)ccc12
+CN(C)c1cccc2cc(-c3c[nH]c4ccncc34)ccc12
+CN(C)c1cccc2cc(-c3nccc4c3[nH]c3ccccc34)ccc12
+CN(C)c1cccc2cc(-c3nccc4[nH]ccc34)ccc12
+CN(C)c1cccc2cc(-c3ncncc3C#N)ccc12
+CN(C)c1cccc2ccc(-c3cc(=O)c4ccccc4[nH]3)cc12
+CN(C)c1cccc2ccc(-c3ccc4c(c3)-s(=O)(=O)-c3ccccc3-4)cc12
+CN(C)c1cccc2ccc(-c3cccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)c3)cc12
+CN(C)c1cccc2ccc(-c3cccc4c3[nH]c3ncccc34)cc12
+CN(C)c1cccc2ccc(-c3cccc4ocnc34)cc12
+CN(C)c1cccc2ccc(-c3cccc4sccc34)cc12
+CN(C)c1cccc2ccc(-c3cccc4[nH]c5ncccc5c34)cc12
+CN(C)c1cccc2ccc(-c3cccc4[nH]nnc34)cc12
+CN(C)c1cccc2ccc(-c3ccnc4cccnc34)cc12
+CN(C)c1cccc2ccc(-c3ccno3)cc12
+CN(C)c1cccc2ccc(-c3coc4cc5ccoc5cc34)cc12
+CN(C)c1cccc2ccc(-n3ccc(=O)c4ccccc43)cc12
+CN(C)c1cccc2cccc(-c3c(C#N)cc(C#N)cc3C#N)c12
+CN(C)c1cccc2cccc(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)c12
+CN(C)c1cccc2cccc(-c3cc(C#N)cc(C#N)c3)c12
+CN(C)c1cccc2cccc(-c3cc4cc5occc5cc4o3)c12
+CN(C)c1cccc2cccc(-c3ccc(C#N)cc3C#N)c12
+CN(C)c1cccc2cccc(-c3ccc4cccnc4n3)c12
+CN(C)c1cccc2cccc(-c3ccc4ocnc4c3)c12
+CN(C)c1cccc2cccc(-c3cccc4c3[nH]c3ncccc34)c12
+CN(C)c1cccc2cccc(-c3cccc4[nH]c5ncccc5c34)c12
+CN(C)c1cccc2cccc(-c3coc4cc5ccoc5cc34)c12
+CN(C)c1cccc2cccc(-c3coc4nc5[nH]ccc5nc34)c12
+CN(C)c1cccc2cccc(-c3nc4ccccc4c4ccccc34)c12
+CN(C)c1cccc2cccc(-c3nc4ccccc4o3)c12
+CN(C)c1cccc2cccc(-c3nccc4[nH]c5ccncc5c34)c12
+CN(C)c1cccc2cccc(-c3ncncc3C#N)c12
+CN(C)c1cccc2cccc(-n3c4ccccc4c4ccncc43)c12
+CN(C)c1cccc2cccc(-n3ccc4nc5ccoc5nc43)c12
+CN(C)c1cccc2cccc(-n3cnc4cc5nc[nH]c5cc43)c12
+CN(C)c1cccc2cccc(-n3cnc4nc5nc[nH]c5nc43)c12
+CN1c2ccccc2N(C)c2c(-c3=cC(=O)c4ccccc4C3=O)cccc21
+CN1c2ccccc2N(C)c2c(-c3c4[nH]cnc4cc4nc[nH]c34)cccc21
+CN1c2ccccc2N(C)c2c(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)cccc21
+CN1c2ccccc2N(C)c2c(-c3cc4[nH]c5ccncc5c4cn3)cccc21
+CN1c2ccccc2N(C)c2c(-c3cc4[nH]ccc4cn3)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4c(c3)-c3ccccc3-s-4(=O)=O)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4c(c3)sc3ccccc34)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4cccnc4n3)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4ncc5ccccc5c4c3)cccc21
+O=C1c2c(C(=O)N1)cccc2c1c2N(C)c3c(N(C)c2ccc1)cccc3
+CN1c2ccccc2N(C)c2c(-c3cccc4ocnc34)cccc21
+CN1c2ccccc2N(C)c2c(-c3cnc4cccnc4c3)cccc21
+CN1c2ccccc2N(C)c2c(-c3c[nH]c4nc5occc5nc34)cccc21
+CN1c2ccccc2N(C)c2c(-c3ncc(C#N)cn3)cccc21
+CN1c2ccccc2N(C)c2c1cccc2-n1ccc(=O)c2ccccc21
+CN1c2ccccc2N(C)c2c1cccc2-n1nnc2ccccc21
+CN1c2ccccc2N(C)c2cc(-c3=cC(=O)c4ccccc4C3=O)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cc4ccccc4s3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccc(C#N)c(C#N)c3C#N)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccc4c(=O)cc[nH]c4c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccc4ncoc4c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cccc4ccsc34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccnc(-c4ccccn4)c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cnc4c(ccc5cccnc54)c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cncc(-c4ccccc4)n3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cncc4[nH]c5ccccc5c34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3csc4ccccc34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3c[nH]c4nc5occc5nc34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ncon3)ccc21
+CN1c2ccccc2N(C)c2cc(-n3ccc(=O)c4ccccc43)ccc21
+CN1c2ccccc2N(C)c2cc(-n3ccc4cnccc43)ccc21
+O=C1C=C(C(=O)N1)c1c2Oc3c(N(C)c2ccc1)cccc3
+CN1c2ccccc2Oc2c(-c3c(C#N)cc(C#N)cc3C#N)cccc21
+CN1c2ccccc2Oc2c(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)ccc3C(=O)c3ccccc3)cccc21
+CN1c2ccccc2Oc2c(-c3cc4cnccc4[nH]3)cccc21
+CN1c2ccccc2Oc2c(-c3ccc4c(c3)-s(=O)(=O)-c3ccccc3-4)cccc21
+CN1c2ccccc2Oc2c(-c3ccc4c(c3)C(=O)c=cC4=O)cccc21
+CN1c2ccccc2Oc2c(-c3ccc4c(c3)[nH]c3ncccc34)cccc21
+CN1c2ccccc2Oc2c(-c3ccc4nn[nH]c4c3)cccc21
+CN1c2ccccc2Oc2c(-c3cccc(-c4cnccn4)c3)cccc21
+CN1c2ccccc2Oc2c(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)cccc21
+CN1c2ccccc2Oc2c(-c3cccc4c3B3c5ccccc5Oc5cccc(c53)O4)cccc21
+CN1c2ccccc2Oc2c(-c3cccc4c3ncc3ccccc34)cccc21
+CN1c2ccccc2Oc2c(-c3cccc4cnc5ccccc5c34)cccc21
+CN1c2ccccc2Oc2c(-c3ccon3)cccc21
+CN1c2ccccc2Oc2c(-c3nc4nc5nc[nH]c5nc4[nH]3)cccc21
+CN1c2ccccc2Oc2c(-c3ncc(C#N)cn3)cccc21
+CN1c2ccccc2Oc2c(-c3ncno3)cccc21
+CN1c2ccccc2Oc2c1cccc2-n1nnc2ccccc21
+CN1c2ccccc2Oc2cc(-c3(C)-c4ccccc4-c4ccccc4-3)ccc21
+CN1c2ccccc2Oc2cc(-c3cc4[nH]c5ccncc5c4cn3)ccc21
+CN1c2ccccc2Oc2cc(-c3ccc(-c4ccccn4)nc3)ccc21
+CN1c2ccccc2Oc2cc(-c3ccc(C#N)c(C#N)c3C#N)ccc21
+CN1c2ccccc2Oc2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc21
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+N#Cc1cnc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)nc1
+N#Cc1cnc(-c2ccc3[nH]nnc3c2)nc1
+N#Cc1cnc(-c2cccc3c2sc2ncccc23)nc1
+N#Cc1cnc(-c2cccc3c2[nH]c2cnccc23)nc1
+N#Cc1cnc(-c2cccc3c4ccccc4c4[nH]cnc4c23)nc1
+N#Cc1cnc(-c2cccc3c4nccnc4c4ccccc4c23)nc1
+N#Cc1cnc(-c2cccc3ccsc23)nc1
+N#Cc1cnc(-c2cccc3ncc4ccccc4c23)nc1
+N#Cc1cnc(-c2cccc3ncsc23)nc1
+N#Cc1cnc(-c2cccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c23)nc1
+N#Cc1cnc(-c2cnc3sc4ncccc4c3c2)nc1
+N#Cc1cnc(-c2c[nH]c3nc4occc4nc23)nc1
+N#Cc1cnc(-c2nc3ccccc3c3ccccc23)nc1
+N#Cc1cnc(-n2c3ccccc3c3ccncc32)nc1
+N#Cc1cnc(-n2ccc(=O)c3ccccc32)nc1
+N#Cc1cncnc1-c1cc2[nH]c3ccccc3c2cn1
+N#Cc1cncnc1-c1ccc2c(c1)Oc1ccccc1O2
+N#Cc1cncnc1-c1ccc2ncoc2c1
+N#Cc1cncnc1-c1ccc2[nH]c3[nH]c4ccccc4c3c2c1
+N#Cc1cncnc1-c1cccc(N(c2ccccc2)c2ccccc2)c1
+c1(C#N)cncnc1c1c2c(CCc3c(cccc3)N2)ccc1
+N#Cc1cncnc1-c1cccc2c1oc1ccccc12
+N#Cc1cncnc1-c1cccc2c1oc1ncccc12
+N#Cc1cncnc1-c1cccc2c3nc[nH]c3c3ccccc3c12
+N#Cc1cncnc1-c1cccc2sccc12
+N#Cc1cncnc1-c1cccc2scnc12
+N#Cc1cncnc1-c1cccc2[nH]c3c(ccc4[nH]c5ccccc5c43)c12
+N#Cc1cncnc1-c1cccc2[nH]c3ccncc3c12
+N#Cc1cncnc1-c1cccc2[nH]nnc12
+N#Cc1cncnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
+N#Cc1cncnc1-c1nc2ccccc2o1
+N#Cc1cncnc1-c1nccc2c1[nH]c1ccccc12
+N#Cc1cncnc1-c1nccc2[nH]c3ccncc3c12
+N#Cc1cncnc1-n1c2ccccc2c2ccc3[nH]c4ccccc4c3c21
+N#Cc1cncnc1-n1c2ccncc2c2cnccc21
+N#Cc1cncnc1-n1ccc2nc3ccoc3nc21
+Nc1ccc(-c2c3ncoc3nc3ocnc23)cc1
+Nc1ccc(-c2ccc3c(c2)-s(=O)(=O)-c2ccccc2-3)cc1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc(N)cc1
+Nc1ccc(-c2ccc3ncccc3n2)cc1
+Nc1ccc(-c2ccc3[nH]nnc3c2)cc1
+Nc1ccc(-c2cccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c2)cc1
+Nc1ccc(-c2cccc(C(=O)C(F)(F)F)c2)cc1
+Nc1ccc(-c2cccc3ocnc23)cc1
+Nc1ccc(-c2cccc3[nH]c4ncccc4c23)cc1
+Nc1ccc(-c2cnc3nccnc3n2)cc1
+Nc1ccc(-c2nc3ccccc3o2)cc1
+Nc1ccc(-c2nc3nc4nc[nH]c4nc3[nH]2)cc1
+Nc1ccc(-n2c3ccncc3c3cnccc32)cc1
+Nc1ccc(-n2cnc3cc4nc[nH]c4cc32)cc1
+Nc1ccc(-n2cnc3nc4nc[nH]c4cc32)cc1
+Nc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1
+Nc1cccc(-c2c3ccoc3cc3ccoc23)c1
+Nc1cccc(-c2cc(=O)c3ccccc3[nH]2)c1
+O=C1c2c(C(=O)N1)ccc(c2)c1cccc(N)c1
+Nc1cccc(-c2ccc3c4c2Oc2ccccc2B4c2ccccc2O3)c1
+Nc1cccc(-c2ccc3cccnc3n2)c1
+Nc1cccc(-c2ccc3ncc4ccccc4c3c2)c1
+Nc1cccc(-c2ccc3ocnc3c2)c1
+Nc1cccc(-c2cccc(-c3ccccn3)n2)c1
+Nc1cccc(-c2cccc3sccc23)c1
+Nc1cccc(-c2ccon2)c1
+Nc1cccc(-c2cncc3cc[nH]c23)c1
+Nc1cccc(-c2coc3cc4ccoc4cc23)c1
+Nc1cccc(-c2nc3ccccc3o2)c1
+Nc1cccc(-n2ccc3nc4ccoc4nc32)c1
+Nc1ccccc1-c1c2[nH]cnc2nc2nc[nH]c12
+Nc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)ccc1F
+Nc1ccccc1-c1cc2c(cn1)[nH]c1ccccc12
+Nc1ccccc1-c1ccc(-c2ccccn2)nc1
+Nc1ccccc1-c1ccc(-c2cnccn2)cc1
+Nc1ccccc1-c1ccc2c(c1)B1c3ccccc3Oc3cccc(c31)O2
+Nc1ccccc1-c1ccc2c(c1)sc1ccccc12
+Nc1ccccc1-c1ccc2nccnc2c1
+Nc1ccccc1-c1ccc2sc3ccccc3c2c1
+Nc1ccccc1-c1ccc2[nH]c3cnccc3c2c1
+Nc1ccccc1-c1ccc2[nH]ccc(=O)c2c1
+Nc1ccccc1-c1cccc2nccnc12
+Nc1ccccc1-c1cccc2sc3ccccc3c12
+Nc1ccccc1-c1cccc2[nH]ccc(=O)c12
+Nc1ccccc1-c1ccccc1C(=O)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+Nc1ccccc1-c1cncc2[nH]c3ccccc3c12
+Nc1ccccc1-c1nc2cc3ncoc3nc2o1
+Nc1ccccc1-c1nc2ccccc2o1
+Nc1ccccc1-n1c2ccccc2c2ccncc21
+Nc1ccccc1-n1ccc2cnccc21
+O=C(c1ccc(-c2c(-c3ccccc3)cc3c4c2CCCN4CCC3)cc1)C(F)(F)F
+O=C(c1ccc(-c2c3ccoc3cc3ccoc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2c3cc[nH]c3cc3occc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cc3[nH]c4ccccc4c3cn2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2cc3[nH]c4ccncc4c3cn2)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccc3c(=O)cc[nH]c3c2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(cc1)c1cc2c(Sc3c(cccc3)N2)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccc3c(c2)c2ccccc2c2nccnc32)cc1)C(F)(F)F
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1cc2CCc3c(cccc3)Nc2cc1
+O=C(c1ccc(-c2ccc3c(c2)[nH]c2c3ccc3[nH]c4ccccc4c32)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2ccc3c(n2)sc2ccccc23)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2cccc(-c3cc4c5c(c3)CCCN5CCC4)c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3c(=O)cc[nH]c23)cc1)C(F)(F)F
+O=C(c1ccc(cc1)c1c2CCc3c(cccc3)Nc2ccc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3c2sc2ncccc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3c2[nH]c2c3ccc3[nH]c4ccccc4c32)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3ccoc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3oc4ccccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3[nH]c4cnccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccnc3oc4ccccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccnnc2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cnc3oc4ccccc4c3c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cnc3sc4ccccc4c3c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cncc3[nH]c4ccccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cn[nH]c2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2c[nH]c(=O)[nH]2)cc1)C(F)(F)F
+O=C(c1ccc(-c2c[nH]c3ccccc3c2=O)cc1)C(F)(F)F
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2c3ncsc3cc3ncsc23)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1c2c(Sc3c(cccc3)N2)ccc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3c2cnc2ccccc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3c2[nH]c2[nH]c4ccccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3cc[nH]c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3cnc4ccccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3nn[nH]c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3sc4ncccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3[nH]c4cnccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2coc3cc4ccoc4cc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2coc3ccccc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2c[nH]c3nc4occc4nc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2nc3ccccc3o2)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-n2ccc3nc4ccoc4nc32)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)N1c2c(Sc3c1cccc3)cccc2
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)N1c2c(CCc3c1cccc3)cccc2
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cc3c(cn2)[nH]c2ccccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cc3ccccc3[nH]2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cc3nc4ccoc4nc3[nH]2)c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1ccc2c(Sc3c(cccc3)N2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)Oc2ccccc2O3)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)[nH]c2c3ccc3[nH]c4ccccc4c32)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)[nH]c2ccc4c5ccccc5[nH]c4c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)[nH]c2cnccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(n2)oc2ccccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3ccsc3c2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3occc3c2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3c2oc2ncccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3c4ccccc4c4nccnc4c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3cc[nH]c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3ncsc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3nn[nH]c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3[nH]c4ccccc4c(=O)c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3[nH]nnc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2c[nH]c3nc4occc4nc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2nc3ccccc3s2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2nccc3[nH]c4ccccc4c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-n2c3ccccc3c3cnccc32)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-n2ccc3cc4ccoc4cc32)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1c2cc[nH]c2cc2occc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1c2ncoc2cc2ncoc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1ccc2c(Sc3c(cccc3)N2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)ncc1ccccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)oc1ncccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)sc1ncccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)[nH]c1ccc3c4ccccc4[nH]c3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)[nH]c1[nH]c3ccccc3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(n1)oc1ccccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c3ccccc3c3nc[nH]c3c2c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2cnc3ccccc3c2c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2ncoc2c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1cccc2c3nccnc3c3ccccc3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1cccc2ccoc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccnnc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1cnc2oc3ccccc3c2c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1cncc2[nH]c3ccccc3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1c[nH]c2cc3occc3cc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1nccc2[nH]c3ccccc3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1nccc2[nH]c3ccncc3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-n1c2ccccc2c2c3[nH]c4ccccc4c3ccc21
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-n1c2ccccc2c2cnccc21
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-n1ccc2ccccc21
+O=C(c1ccc(-c2nc3ccccc3c3ccccc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2nccc3[nH]c4ccccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-n2c3ccccc3c3ccc4[nH]c5ccccc5c4c32)cc1)C(F)(F)F
+O=C(c1ccc(-n2nnc3ccccc32)cc1)C(F)(F)F
+O=C(c1cccc(-c2c3ncoc3cc3ncoc23)c1)C(F)(F)F
+O=C(c1cccc(-c2c3ncsc3cc3ncsc23)c1)C(F)(F)F
+O=C(c1cccc(-c2cc(=O)c3ccccc3[nH]2)c1)C(F)(F)F
+O=C(c1cccc(-c2cc3cc4cc[nH]c4cc3o2)c1)C(F)(F)F
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+O=C(c1cccc(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)c1)C(F)(F)F
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+O=C(c1ccccc1-c1c(-c2ccccc2)cc2c3c1CCCN3CCC2)C(F)(F)F
+O=C(c1ccccc1-c1cc(=O)c2ccccc2[nH]1)C(F)(F)F
+O=C(c1ccccc1-c1cc2nc3cc[nH]c3nc2o1)C(F)(F)F
+O=C(c1ccccc1c1cc2c(Sc3c(cccc3)N2)cc1)C(F)(F)F
+O=C(c1ccccc1c1cc2CCc3c(cccc3)Nc2cc1)C(F)(F)F
+O=C(c1ccccc1-c1ccc2c(c1)oc1ncccc12)C(F)(F)F
+O=C(c1ccccc1-c1ccc2c(c1)[nH]c1c2ccc2[nH]c3ccccc3c21)C(F)(F)F
+O=C(c1ccccc1-c1ccc2c(c1)[nH]c1[nH]c3ccccc3c12)C(F)(F)F
+O=C(c1ccccc1-c1ccc2occc2c1)C(F)(F)F
+O=C(c1ccccc1-c1cccc2c(=O)cc[nH]c12)C(F)(F)F
+O=C(c1ccccc1-c1cccc2c1[nH]c1c2ccc2[nH]c3ccccc3c21)C(F)(F)F
+O=C(c1ccccc1-c1cccc2c3nccnc3c3ccccc3c12)C(F)(F)F
+O=C(c1ccccc1-c1cccc2ccoc12)C(F)(F)F
+O=C(c1ccccc1-c1cccc2oc3ccccc3c12)C(F)(F)F
+O=C(c1ccccc1-c1cccc2[nH]c3ccc4c5ccccc5[nH]c4c3c12)C(F)(F)F
+O=C(c1ccccc1-c1cccc2[nH]c3ccncc3c12)C(F)(F)F
+O=C(c1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1)C(F)(F)F
+O=C(c1ccccc1-c1coc2nc3[nH]ccc3nc12)C(F)(F)F
+O=C(c1ccccc1-c1c[nH]c2cc3occc3cc12)C(F)(F)F
+O=C(c1ccccc1-c1c[nH]c2ccccc2c1=O)C(F)(F)F
+O=C(c1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1)C(F)(F)F
+O=C(c1ccccc1-c1nccc2[nH]c3ccncc3c12)C(F)(F)F
+O=C(c1ccccc1-n1c2ccccc2c(=O)c2ccccc21)C(F)(F)F
+O=C(c1ccccc1-n1ccc(=O)c2ccccc21)C(F)(F)F
+O=C(c1ccccc1-n1cnc2nc3nc[nH]c3nc21)C(F)(F)F
+O=c1c(-c2c3[nH]ccc3cc3ccoc23)c[nH]c2ccccc12
+O=c1c(-c2c3[nH]cnc3nc3nc[nH]c23)c[nH]c2ccccc12
+O=c1c(-c2cc(F)c(F)c(F)c2)c[nH]c2ccccc12
+O=c1c(-c2cc3c4c(c2)CCCN4CCC3)c[nH]c2ccccc12
+O=c1c(-c2cc3ccccc3o2)c[nH]c2ccccc12
+O=c1c(-c2cc3ccccc3s2)c[nH]c2ccccc12
+O=c1c2c(cccc2)[nH]cc1c1cc2CCc3c(cccc3)Nc2cc1
+O=c1c(-c2ccc3c(c2)[nH]c2c3ccc3[nH]c4ccccc4c32)c[nH]c2ccccc12
+O=c1c(-c2ccc3c(c2)[nH]c2ncccc23)c[nH]c2ccccc12
+O=c1c(-c2ccc3c4c2CCCN4CCC3)c[nH]c2ccccc12
+O=c1c(-c2ccc3cc[nH]c3c2)c[nH]c2ccccc12
+O=c1c(-c2ccc3oc4ccccc4c3c2)c[nH]c2ccccc12
+O=c1c(-c2ccc3sccc3c2)c[nH]c2ccccc12
+O=c1c(-c2ccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c3c2)c[nH]c2ccccc12
+O=c1c(-c2cccc(-c3cnccn3)c2)c[nH]c2ccccc12
+O=c1c(-c2cccc3c(=O)cc[nH]c23)c[nH]c2ccccc12
+O=c1c2c(cccc2)[nH]cc1c1c2c(CCc3c(cccc3)N2)ccc1
+O=c1c(-c2cccc3c2ncc2ccccc23)c[nH]c2ccccc12
+O=c1c(-c2cccc3c2Oc2ccccc2O3)c[nH]c2ccccc12
+O=c1c(-c2cccc3c2sc2ncccc23)c[nH]c2ccccc12
+O=c1c(-c2cccc3c2[nH]c2c3ccc3[nH]c4ccccc4c32)c[nH]c2ccccc12
+O=c1c(-c2cccc3ccoc23)c[nH]c2ccccc12
+O=c1c(-c2cccc3cnc4ccccc4c23)c[nH]c2ccccc12
+O=c1c(-c2ccnc(-c3ccccn3)c2)c[nH]c2ccccc12
+O=c1c(-c2ccnc3ncccc23)c[nH]c2ccccc12
+O=c1c(-c2ccnc3[nH]c4ccccc4c23)c[nH]c2ccccc12
+O=c1c(-c2ccno2)c[nH]c2ccccc12
+O=c1c(-c2cnc3cccnc3c2)c[nH]c2ccccc12
+O=c1c(-c2c[nH]c3ccccc23)c[nH]c2ccccc12
+O=c1c(-c2nc3cc4scnc4cc3s2)c[nH]c2ccccc12
+O=c1c(-c2nc3ccccc3s2)c[nH]c2ccccc12
+O=c1c(-c2nc3nc4nc[nH]c4cc3[nH]2)c[nH]c2ccccc12
+O=c1c(-c2nccc3[nH]c4ccncc4c23)c[nH]c2ccccc12
+O=c1c(-n2c3ccccc3c3ccc4[nH]c5ccccc5c4c32)c[nH]c2ccccc12
+O=c1c(-n2c3ccncc3c3cnccc32)c[nH]c2ccccc12
+O=c1c(-n2ccc3cnccc32)c[nH]c2ccccc12
+O=c1c(-n2cc[nH]c2=O)c[nH]c2ccccc12
+O=c1c(-n2cnc3nc4nc[nH]c4nc32)c[nH]c2ccccc12
+O=C1c2c(C(=O)N1c1c3c(cc4c1cco4)[nH]cc3)cccc2
+O=C1c2c(C(=O)N1c1ncc3c4c(cccc4)[nH]c3c1)cccc2
+O=C1c2c(C(=O)N1c1nc3oc4c(c3cc1)cccc4)cccc2
+O=C1c2c(C(=O)N1c1ccc3c(c4c5c(cccc5)[nH]c4[nH]3)c1)cccc2
+O=C1c2c(C(=O)N1c1c3c4c(cccc4)cnc3ccc1)cccc2
+O=C1c2c(C(=O)N1c1c3c(oc4ncccc34)ccc1)cccc2
+O=C1c2c(C(=O)N1c1c3c(ccc1)[nH]c1c3ccnc1)cccc2
+O=C1c2c(C(=O)N1c1nc3c4c(c5c(c3nc1)cccc5)cccc4)cccc2
+O=C1c2c(C(=O)N1c1c3c4c(cccc4)[nH]c3cnc1)cccc2
+O=C1c2c(C(=O)N1n1c3c(c(=O)c4c1cccc4)cccc3)cccc2
+O=C1c2c(C(=O)N1n1c3c(c4c1ccnc4)cncc3)cccc2
+O=c1c2ccccc2n(-c2c3ccoc3cc3ccoc23)c2ccccc12
+O=c1c2ccccc2n(-c2cc(F)ccc2-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)c2ccccc12
+O=c1c2ccccc2n(-c2ccc3c(c2)B2c4ccccc4Oc4cccc(c42)O3)c2ccccc12
+O=c1c2ccccc2n(-c2ccc3c(c2)Oc2cccc4c2B3c2ccccc2O4)c2ccccc12
+O=c1c2ccccc2n(-c2ccc3ccsc3c2)c2ccccc12
+O=c1c2ccccc2n(-c2cccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c2)c2ccccc12
+O=c1c2ccccc2n(-c2cccc3c2[nH]c2ncccc23)c2ccccc12
+O=c1c2ccccc2n(-c2ccnc3c2ccc2cccnc23)c2ccccc12
+O=c1c2ccccc2n(-c2cncc3cc[nH]c23)c2ccccc12
+O=c1c2ccccc2n(-c2cncc3[nH]c4ccccc4c23)c2ccccc12
+O=c1c2ccccc2n(-c2c[nH]c3ccncc23)c2ccccc12
+O=c1c2ccccc2n(-c2nccs2)c2ccccc12
+O=c1c2ccccc2n(-n2c3ccccc3c3cccnc32)c2ccccc12
+O=c1c2ccccc2n(-n2c3ccccc3c3ccncc32)c2ccccc12
+O=c1c2ccccc2n(-n2cnc3cc4nc[nH]c4cc32)c2ccccc12
+O=c1c2ccccc2[nH]c2c(-c3c(F)c(F)c(F)c(F)c3F)cccc12
+O=c1c2ccccc2[nH]c2c(-c3c4[nH]cnc4cc4nc[nH]c34)cccc12
+O=c1c2ccccc2[nH]c2c(-c3cc4nc5ccoc5nc4[nH]3)cccc12
+O=c1c2ccccc2[nH]c2c(-c3ccc4c(c3)[nH]c3cnccc34)cccc12
+O=c1c2ccccc2[nH]c2c(-c3cccc(-c4ccccn4)n3)cccc12
+O=c1c2ccccc2[nH]c2c(-c3cccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)c3)cccc12
+O=c1c2ccccc2[nH]c2c(-c3cccc4c3[nH]c3cnccc34)cccc12
+O=c1c2ccccc2[nH]c2c(-c3ccnc(-c4ccccn4)c3)cccc12
+O=c1c2ccccc2[nH]c2c(-c3cnc4[nH]c5ccccc5c4c3)cccc12
+O=c1c2ccccc2[nH]c2c(-c3cncs3)cccc12
+O=c1c2ccccc2[nH]c2c(-n3nnc4ccccc43)cccc12
+O=c1c2ccccc2[nH]c2cc(-c3c4nc[nH]c4cc4[nH]cnc34)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3c4[nH]cnc4cc4nc[nH]c34)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3cc4cccnc4c4ncccc34)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3cc4nc5ccoc5nc4[nH]3)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3ccc(-c4cnccn4)cc3)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3ccc4c(c3)-c3ccccc3-s-4(=O)=O)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3ccc4c(c3)B3c5ccccc5Oc5cccc(c53)O4)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3ccc4c(cnc5ccccc54)c3)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3ccc4c(n3)[nH]c3ccccc34)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3ccc4[nH]c5cnccc5c4c3)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3cccc4ocnc34)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3csc4ccccc34)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3nc4cc5ncoc5nc4o3)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3nc4ccccc4o3)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3nc4nc5nc[nH]c5cc4[nH]3)ccc12
+O=c1c2ccccc2[nH]c2cc(-c3nccs3)ccc12
+O=c1c2ccccc2[nH]c2cc(-n3cnc4nc5nc[nH]c5nc43)ccc12
+O=c1c2ccccc2[nH]c2ccc(-c3c4ccoc4cc4ccoc34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3cc(F)ccc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3cc4c(cn3)[nH]c3ccccc34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc(-c4ccccn4)nc3)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc4c(c3)B3c5ccccc5Oc5cccc(c53)O4)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3O5)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc4ccsc4c3)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc4[nH]nnc4c3)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3cccc4c(=O)cc[nH]c34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3cccc4c3ncc3ccccc34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3cccc4ccsc34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3cccc4ncc5ccccc5c34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccnc4c3ccc3cccnc34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccnc4[nH]c5ccccc5c34)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3cnc(-c4ccccc4)cn3)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3nc4nc5ocnc5nc4o3)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3nccc4c3[nH]c3ccccc34)cc12
+O=c1c2ccccc2[nH]c2ccc(-n3ccc4cnccc43)cc12
+O=c1c2ccccc2[nH]c2cccc(-c3cc4cccnc4c4ncccc34)c12
+O=c1c2ccccc2[nH]c2cccc(-c3ccc4ccsc4c3)c12
+O=c1c2ccccc2[nH]c2cccc(-c3ccc4ncoc4c3)c12
+O=c1c2ccccc2[nH]c2cccc(-c3ccc4nn[nH]c4c3)c12
+O=c1c2ccccc2[nH]c2cccc(-c3ccc4sc5ccccc5c4c3)c12
+O=c1c2ccccc2[nH]c2cccc(-c3cccc4c3-c3ccccc3-s-4(=O)=O)c12
+O=c1c2ccccc2[nH]c2cccc(-c3cccc4ncc5ccccc5c34)c12
+O=c1c2ccccc2[nH]c2cccc(-c3ccnc4cccnc34)c12
+O=c1c2ccccc2[nH]c2cccc(-c3cnc4c(ccc5cccnc54)c3)c12
+O=c1c2ccccc2[nH]c2cccc(-c3cnc4ncccc4c3)c12
+O=c1c2ccccc2[nH]c2cccc(-c3cncs3)c12
+O=c1c2ccccc2[nH]c2cccc(-c3nccc4[nH]ccc34)c12
+O=c1c2ccccc2[nH]c2cccc(-c3ncno3)c12
+O=c1c2ccccc2[nH]c2cccc(-n3c4ccccc4c4ccncc43)c12
+O=C1c2c(C(=O)C(=C1)N1c3c(Sc4c1cccc4)cccc3)cccc2
+O=C1c=c(-c2c3ccoc3cc3ccoc23)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c(cc3c1cco3)[nH]cc2
+O=C1C=C(C(=O)N1)c1c2c(ocn2)cc2ncoc12
+O=C1C=C(C(=O)N1)c1cc(=O)c2c(cccc2)[nH]1
+O=C1c=c(-c2cc3c(cn2)[nH]c2ccccc23)C(=O)c2ccccc21
+O=C1c=c(-c2cc3cc4occc4cc3o2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1oc2c(c1)cccc2
+O=C1C=C(C(=O)N1)c1ncc2c(c1)[nH]c1c2cncc1
+O=C1C=C(C(=O)N1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
+O=C1C=C(C(=O)N1)c1ccc2CCc3c(cccc3)Nc2c1
+O=C1c2c(C(=O)C(=C1)c1ccc3CCc4c(cccc4)Nc3c1)cccc2
+O=C1c2c(C(=O)C(=C1)c1ccc3c(Sc4c(cccc4)N3)c1)cccc2
+O=C1C=C(C(=O)N1)c1ccc2c(oc3ncccc23)c1
+O=C1C=C(C(=O)N1)c1cc2c(c3c4c(c5c(cccc5)[nH]4)ccc3[nH]2)cc1
+O=C1C=C(C(=O)N1)c1ccc2c(c1)[nH]c1c2cncc1
+O=C1c=c(-c2ccc3c4c2CCCN4CCC3)C(=O)c2ccccc21
+O=C1c=c(-c2ccc3c4ccccc4c4nccnc4c3c2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1ccc2c3c(c4c(nc[nH]4)c2c1)cccc3
+O=C1C=C(C(=O)N1)c1ccc2c(scc2)c1
+O=C1c=c(-c2ccc3ccsc3c2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1ccc2c(c1)[nH]cc2
+O=C1c=c(-c2ccc3ncsc3c2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1ccc2c(c1)[nH]nn2
+O=C1C=C(C(=O)N1)c1cc2c(occ2)cc1
+O=C1c=c(-c2ccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c3c2)C(=O)c2ccccc21
+O=C1c=c(-c2ccc3[nH]nnc3c2)C(=O)c2ccccc21
+O=C1c=c(-c2cccc3c2cnc2ccccc23)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c(c3c4c(cccc4)[nH]c3[nH]2)ccc1
+O=C1c=c(-c2cccc3c4ccccc4c4nc[nH]c4c23)C(=O)c2ccccc21
+O=C1c=c(-c2cccc3c4ccccc4c4[nH]cnc4c23)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c(nn[nH]2)ccc1
+O=C1c=c(-c2cccc3ocnc23)C(=O)c2ccccc21
+O=C1c=c(-c2cccc3[nH]c4ccc5c6ccccc6[nH]c5c4c23)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c(c2cc3c4c(CCCN4CCC3)c2)cccc1
+O=C1c=c(-c2cnc3sc4ccccc4c3c2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c3c(cccc3)[nH]c2cnc1
+O=C1c=c(-c2c[nH]c(=O)[nH]2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c(cccc2)[nH]c1
+O=C1c=c(-c2nc3cc4ocnc4cc3o2)C(=O)c2ccccc21
+O=C1c=c(-n2c3ccccc3c(=O)c3ccccc32)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)n1c2c(c3c1ccnc3)cccc2
+O=C1C=C(C(=O)N1)n1c2c(nc1)c1c(c3c2cccc3)cccc1
+O=C1C=CC(=O)N1c1c2c(c3c(c4c(cccc4)[nH]3)c1)c1c(cccc1)[nH]2
+O=C1C=CC(=O)N1c1sc2c(c1)cccc2
+O=C1C=CC(=O)N1c1cc2c(cccc2)[nH]1
+O=C1C=CC(=O)N1c1oc2c(nc3c(n2)[nH]cc3)c1
+O=C1C=CC(=O)N1c1c2c3c(cccc3)[nH]c2c2c(c1)[nH]c1c2cccc1
+O=C1C=CC(=O)N1c1ncc2c(c1)[nH]c1c2cncc1
+O=C1C=CC(=O)N1c1ccc(c2cc3c4c(CCCN4CCC3)c2)cc1
+O=C1C=CC(=O)N1c1ccc2c(Sc3c(cccc3)N2)c1
+O=C1C=CC(=O)N1c1cc2c(c3c4c(cccc4)[nH]c3[nH]2)cc1
+O=C1C=CC(=O)N1c1ccc2c3c(c4c(c2c1)nccn4)cccc3
+O=C1C=CC(=O)N1c1cc2c(occ2)cc1
+O=C1C=CC(=O)N1c1cc2ncsc2cc1
+O=C1C=CC(=O)N1c1c2ncc3c(c2ccc1)cccc3
+O=C1C=CC(=O)N1c1c2c(c3c(c4c(cc3)[nH]c3c4cccc3)[nH]2)ccc1
+O=C1C=CC(=O)N1c1c2c(nco2)ccc1
+O=C1C=CC(=O)N1c1c2c3c(cccc3)[nH]c2cnc1
+O=C1C=CC(=O)N1c1c2c(oc1)cc1c(occ1)c2
+O=C1C=CC(=O)N1c1c2c(oc1)cccc2
+O=C1C=CC(=O)N1c1c2c(cc3c(c2)cco3)[nH]c1
+O=C1C=CC(=O)N1c1c2c(c3c(n1)cccc3)cccc2
+O=C1C=CC(=O)N1n1c2c(c3c1ccnc3)cccc2
+O=C1C=CC(=O)N1n1c2c(nc3c(occ3)n2)cc1
+O=C1C=CC(=O)N1n1c2c(nn1)cccc2
+O=C1c2c(C(=O)C=C1)cccc2N1c2c(CCc3c1cccc3)cccc2
+O=C1c=cC(=O)c2c1cccc2-c1c2ncoc2cc2ncoc12
+O=C1c=cC(=O)c2c1cccc2-c1c2[nH]ccc2cc2ccoc12
+O=C1c=cC(=O)c2c1cccc2-c1cc2nc3ccoc3nc2[nH]1
+O=C1c=cC(=O)c2c1cccc2-c1ccc(F)c(F)c1F
+O=C1c2c(C(=O)C=C1)cccc2c1ccc2c(Sc3c(cccc3)N2)c1
+O=C1c=cC(=O)c2c1cccc2-c1ccc2c(c1)ncc1ccccc12
+O=C1c=cC(=O)c2c1cccc2-c1ccc2c(n1)sc1ncccc12
+O=C1c=cC(=O)c2c1cccc2-c1ccc2cnc3ccccc3c2c1
+O=C1c=cC(=O)c2c1cccc2-c1ccc2ncc3ccccc3c2c1
+O=C1c=cC(=O)c2c1cccc2-c1ccc2[nH]c3[nH]c4ccccc4c3c2c1
+O=C1c2c(C(=O)C=C1)cccc2c1c2c(Sc3c(cccc3)N2)ccc1
+O=C1c=cC(=O)c2c1cccc2-c1cccc2c1[nH]c1c2ccc2[nH]c3ccccc3c21
+O=C1c=cC(=O)c2c1cccc2-c1cccc2c1[nH]c1cnccc12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2c3ccccc3c3nccnc3c12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2ccoc12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2occc12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2[nH]c3ccccc3c(=O)c12
+O=C1c=cC(=O)c2c1cccc2-c1ccccc1N(c1ccccc1)c1ccccc1
+O=C1c=cC(=O)c2c1cccc2-c1nc2c3ccccc3c3ccccc3c2[nH]1
+O=C1c=cC(=O)c2c1cccc2-c1nccc2[nH]c3ccncc3c12
+O=C1c=cC(=O)c2c1cccc2-n1c2ccncc2c2cnccc21
+O=C1c=cC(=O)c2c1cccc2-n1ccc(=O)c2ccccc21
+O=C1c=cC(=O)c2cc(-c3cc4cc5ccoc5cc4[nH]3)ccc21
+O=C1c=cC(=O)c2cc(-c3cc4cc5occc5cc4o3)ccc21
+O=C1c=cC(=O)c2cc(-c3cc4nc5cc[nH]c5nc4o3)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(=O)cc[nH]c4c3)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(c3)Oc3ccccc3O4)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(c3)sc3ncccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(n3)sc3ccccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4[nH]ccc(=O)c4c3)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3cnc3ccccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3ncc3ccccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3oc3ncccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3[nH]c3ccncc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3[nH]c3[nH]c5ccccc5c34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4[nH]c5c(ccc6[nH]c7ccccc7c65)c34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4[nH]c5ccccc5c(=O)c34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4[nH]c5ccncc5c34)ccc21
+O=C1c=cC(=O)c2cc(-c3ccccc3-c3cc4c5c(c3)CCCN5CCC4)ccc21
+O=C1c=cC(=O)c2cc(-c3cnc4sc5ccccc5c4c3)ccc21
+O=C1c=cC(=O)c2cc(-n3cc[nH]c3=O)ccc21
+O=C1c=cC(=O)c2cc(-n3nnc4ccccc43)ccc21
+O=c1cc(-c2c3nc[nH]c3cc3[nH]cnc23)[nH]c2ccccc12
+O=c1cc(-c2cc3cccnc3c3ncccc23)[nH]c2ccccc12
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+O=c1cc(-c2ccc3c4c2CCCN4CCC3)[nH]c2ccccc12
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+O=c1cc(-c2ccnc3cccnc23)[nH]c2ccccc12
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+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)-[nH]-c3ccccc3-s-4)n2)cc1
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+CC1(C)c2ccccc2-c2cc(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)ccc21
+CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21
+CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
+CC1(C)c2ccccc2-n(-c2cc3c4c(cccc4c2)-c2nc4cc(C#N)c(C#N)cc4nc2-3)-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
+CC1(C)c2ccccc2-n(-c2ccc3cccc4c3c2-c2nc3cc(C#N)c(C#N)cc3nc2-4)-c2ccccc21
+CC1(C)c2ccccc2-[nH]-c2c(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)cccc21
+CC1(C)c2ccccc2-[nH]-c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21
+CC1(C)c2ccccc2-[nH]-c2c1cc1c(c2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc2n1-c1ccccc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2c(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)cccc2n1-c1ccccc1
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+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2n1-c1ccccc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2n1-c1ccccc1
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+CC1(C)c2ccccc2-[nH]-c2cc(-c3ccc4cccc5c4c3-c3nc4cc(C#N)c(C#N)cc4nc3-5)ccc21
+CC1(C)c2ccccc2-[nH]-c2cc3c4c(-c5cc6c7c(cccc7c5)-c5nc7cc(C#N)c(C#N)cc7nc5-6)cccc4n(-c4ccccc4)c3cc21
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+Cc1-c2ccccc2-[nH]-c2cccc(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)c2-1
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+Cc1cccc2c3cccc(C)c3n(-c3ccc4c5c(cccc35)-c3nc5cc(C#N)c(C#N)cc5nc3-4)c12
+CN(C)c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2ccccc12
+CN(C)c1cc2ccccc2cc1-c1ccc2c3c(cccc13)-c1nc3cc(C#N)c(C#N)cc3nc1-2
+CN(C)c1cc2ccccc2cc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
+CN(C)c1cc2ccccc2cc1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
+CN(C)c1ccc2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc2c1
+CN1c2ccccc2N(C)c2c(-c3ccc4c5c(cccc35)-c3nc5cc(C#N)c(C#N)cc5nc3-4)cccc21
+CN1c2ccccc2N(C)c2cc(-c3cc4c5c(cccc5c3)-c3nc5cc(C#N)c(C#N)cc5nc3-4)ccc21
+CN1c2ccccc2Oc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21
+CN1c2ccccc2Oc2ccc(-c3ccc4cccc5c4c3-c3nc4cc(C#N)c(C#N)cc4nc3-5)cc21
+N#Cc1cc2nc3c(nc2c(-c2c(-c4ccccc4)cc4c5c2CCCN5CCC4)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cc4nc5cc[nH]c5nc4o2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4c(c2)[nH]c2ccc5c6ccccc6[nH]c5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4c(c2)[nH]c2ccncc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4c5c2CCCN5CCC4)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4ccoc4c2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4ocnc4c2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4[nH]c5[nH]c6ccccc6c5c4c2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4c(=O)cc[nH]c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4c2ncc2ccccc24)c1C#N)-c1cccc2cccc-3c12
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+N#Cc1cc2nc3c(nc2c(-c2cccc4c5ccccc5c5nc[nH]c5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4cnc5ccccc5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4occc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4[nH]c5ccccc5c(=O)c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4[nH]ccc(=O)c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2nccc4c2[nH]c2ccccc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2nccc4[nH]c5ccncc5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-n2-c4ccccc4CCc4ccccc4-2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-n2ccc(=O)c4ccccc42)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-n2ccc4nc5ccoc5nc42)c1C#N)-c1cccc2cccc-3c12
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+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4c(n2)oc2ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4c(n2)sc2ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4ccoc4c2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4occc4c2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4[nH]c5ccc6c7ccccc7[nH]c6c5c4c2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4c(=O)cc[nH]c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4c5ccccc5c5nc[nH]c5c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4c5nccnc5c5ccccc5c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4ccsc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4[nH]ccc(=O)c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2coc4ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2c[nH]c(=O)[nH]2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-n2c4ccccc4c4c5ccccc5[nH]c42)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-n2cc[nH]c2=O)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cc(F)c(F)c(F)c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cc4nc5cc[nH]c5nc4o2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4c(c2)CCc2ccccc2-[nH]-4)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4ocnc4c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4[nH]c5ccc6c7ccccc7[nH]c6c5c4c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4[nH]ccc(=O)c4c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4c2cnc2ccccc24)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4c2Oc2ccccc2O4)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4ncsc24)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4sccc24)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-n2c4ccccc4c4ccc5[nH]c6ccccc6c5c42)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-n2ccc4nc5ccoc5nc42)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2c4ccoc4cc4ccoc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cc4cc5cc[nH]c5cc4o2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc[nH]c42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(c2)c2ccccc2c2[nH]cnc42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(c2)[nH]c2cnccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(n2)sc2ncccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4oc5ccccc5c4c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4ocnc4c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4[nH]c5[nH]c6ccccc6c5c4c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc(N(c4ccccc4)c4ccccc4)c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4c(=O)cc[nH]c24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4c2[nH]c2c4ccc4[nH]c5ccccc5c42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4c2[nH]c2cnccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4oc5ccccc5c24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4scnc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccnc4sc5ncccc5c24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccnnc2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cncc4c2[nH]c2ccccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2nc4cc5scnc5cc4s2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2nc4ccccc4s2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-n2-c4ccccc4-s-c4ccccc4-2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-n2ccc4cc5ccoc5cc42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-n2cnc4c5ccccc5c5ccccc5c42)c2cccc-3c12
+O=c1c2ccccc2n(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc12
+O=c1c2ccccc2[nH]c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc12
+O=c1ccn(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc12
+c1ccc(-c2cncc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
+c1ccc(-c2cncc(-n3-c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc4-3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-[nH]-c5ccccc54)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)n2)cc1
+c1ccc(-c2nccnc2-c2ccc3c(c2)-[nH]-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
+c1ccc(-c2nccnc2-c2ccccc2C2(c3ccccc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cc5cc6occc6cc5o4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cc5[nH]ccc5cn4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccc5c(c4)Oc4cccc6c4B5c4ccccc4O6)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccc5c6c4Oc4ccccc4B6c4ccccc4O5)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccnc5c4ccc4cccnc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccnc5[nH]c6ccccc6c45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cnc5nccnc5n4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cncc5[nH]c6ccccc6c45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4csc5ccccc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4c[nH]c5nc6occc6nc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4nc5ccccc5c5ccccc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4nc5nc6nc[nH]c6nc5[nH]4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4c5[nH]cnc5nc5nc[nH]c45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cc5c(cn4)[nH]c4ccccc45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cc5cc6occc6cc5o4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5c6c4Oc4ccccc4B6c4ccccc4O5)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5ncccc5n4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cccc5c4[nH]c4ncccc45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cccc5sc6ccccc6c45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cccnc4-c4ccccn4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccnc5[nH]c6ccccc6c45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cnc5nccnc5n4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cnoc4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-n4nnc5ccccc54)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-n(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3O5)-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-n(-c3ncno3)-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-n(-c3ncon3)-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cc5nc6cc[nH]c6nc5o4)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cc5[nH]ccc5cn4)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4ccc5ncoc5c4)cccc32)cc1
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+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cccc(-c5cnccn5)c4)cccc32)cc1
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+O=C1c=c(-c2ccc(C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)cc2)C(=O)[nH]1
+O=C1c=c(-n2-c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc3-2)C(=O)[nH]1
+O=c1cc(-c2cccc(C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)c2)[nH]c2ccccc12
+O=c1cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)[nH]c2ccccc12
+O=c1ccn(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)c2ccccc12
+O=c1ccn(-c2cccc(C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)c2)c2ccccc12
+O=c1ccn(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)c2ccccc12
+O=c1cc[nH]c2c(-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-[nH]-4)cccc12
+O=c1cc[nH]c2c(-c3ccccc3C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)cccc12
+O=C1[nH]C(=O)c2cc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
+O=s1(=O)-c2ccccc2-c2c(-c3cccc4c3-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc2-1
+O=s1(=O)-c2ccccc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-[nH]-4)ccc2-1
+O=s1(=O)-c2ccccc2-c2ccc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2-1
+O=s1(=O)-c2ccccc2-c2cccc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)c2-1
+O=s1(=O)-c2ccccc2-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-[nH]-4)c2-1
diff --git a/TADF/TADF_angle/Test.png b/TADF/TADF_angle/Test.png
new file mode 100644
index 000000000..e1c910045
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diff --git a/TADF/TADF_angle/angle.dat b/TADF/TADF_angle/angle.dat
new file mode 100644
index 000000000..6e14b36a3
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\ No newline at end of file
diff --git a/TADF/TADF_angle/angle_model.pth b/TADF/TADF_angle/angle_model.pth
new file mode 100644
index 000000000..d50789093
Binary files /dev/null and b/TADF/TADF_angle/angle_model.pth differ
diff --git a/TADF/TADF_angle/angle_ppsci.py b/TADF/TADF_angle/angle_ppsci.py
new file mode 100644
index 000000000..69049dbf0
--- /dev/null
+++ b/TADF/TADF_angle/angle_ppsci.py
@@ -0,0 +1,186 @@
+import os
+
+import hydra
+import matplotlib.pyplot as plt
+import numpy as np
+import paddle
+import rdkit.Chem as Chem
+from omegaconf import DictConfig
+from rdkit.Chem import AllChem
+from sklearn.decomposition import PCA
+from sklearn.metrics import r2_score
+from sklearn.model_selection import train_test_split
+
+import ppsci
+
+os.environ["HYDRA_FULL_ERROR"] = "1"
+os.environ["KMP_DUPLICATE_LIB_OK"] = "True"
+plt.rcParams["axes.unicode_minus"] = False
+plt.rcParams["font.sans-serif"] = ["DejaVu Sans"]
+
+# 加载数据集
+data = []
+for line in open("./angle.dat"):
+    num = float(line.strip())
+    num = num / 90
+    data.append(num)
+smis = []
+for line in open("./smis.txt"):
+    smis.append(line.strip())
+vectors = []
+del_mol = []
+for num in smis:
+    mol = Chem.MolFromSmiles(num)
+    try:
+        fp = AllChem.GetMorganFingerprintAsBitVect(mol, radius=2, nBits=2048)
+        _input = np.array(list(map(float, fp.ToBitString())))
+        vectors.append(_input)
+    except Exception:
+        del_mol.append(num)
+pca = PCA(n_components=0.99)
+pca.fit(vectors)
+Xlist = paddle.to_tensor(pca.transform(vectors))
+
+
+def train(cfg: DictConfig):
+    # 划分数据集
+    def k_fold(k, i, X, Y):
+        fold_size = tuple(X.shape)[0] // k
+        val_start = i * fold_size
+        if i != k - 1:
+            val_end = (i + 1) * fold_size
+            x_val, y_val = X[val_start:val_end], Y[val_start:val_end]
+            x_train = np.concatenate((X[0:val_start], X[val_end:]), axis=0)
+            y_train = np.concatenate((Y[0:val_start], Y[val_end:]), axis=0)
+        else:
+            x_val, y_val = X[val_start:], Y[val_start:]
+            x_train = X[0:val_start]
+            y_train = Y[0:val_start]
+        return x_train, y_train, x_val, y_val
+
+    x_train, y_train, x_test, y_test = k_fold(cfg.TRAIN.k, cfg.TRAIN.i, Xlist, data)
+    # 处理数据集
+    x_train = paddle.to_tensor(x_train, dtype="float32")
+    x = {
+        "key_{}".format(i): paddle.unsqueeze(
+            paddle.to_tensor(x_train[:, i], dtype="float32"), axis=1
+        )
+        for i in range(x_train.shape[1])
+    }
+    y_train = paddle.unsqueeze(paddle.to_tensor(y_train, dtype="float32"), axis=1)
+
+    param = paddle.empty((len(x["key_0"]), len(x_train)), "float32")
+    param = ppsci.utils.initializer.xavier_normal_(param)
+    # 构建约束
+    bc_sup = ppsci.constraint.SupervisedConstraint(
+        dataloader_cfg={
+            "dataset": {
+                "input": x,
+                "label": {"u": y_train},
+                "weight": {"W": param},
+                "name": "IterableNamedArrayDataset",
+            },
+            "batch_size": cfg.TRAIN.batch_size,
+        },
+        loss=ppsci.loss.MSELoss("mean"),
+        name="bc_sup",
+    )
+    hidden_size = [587, 256]
+    num_layers = None
+    # 实例化模型
+    model = ppsci.arch.DNN(
+        input_keys=tuple(x.keys()),
+        hidden_size=hidden_size,
+        num_layers=num_layers,
+        **cfg.MODEL,
+    )
+    optimizer = ppsci.optimizer.optimizer.Adam(
+        cfg.TRAIN.learning_rate,
+        beta1=(0.9, 0.99)[0],
+        beta2=(0.9, 0.99)[1],
+        weight_decay=cfg.TRAIN.weight_decay,
+    )(model)
+
+    # 构建Solver
+    solver = ppsci.solver.Solver(
+        model,
+        constraint={
+            "bc_sup": bc_sup,
+        },
+        optimizer=optimizer,
+        epochs=cfg.TRAIN.epochs,
+        eval_during_train=False,
+        iters_per_epoch=cfg.TRAIN.iters_per_epoch,
+        seed=cfg.seed,
+    )
+    try:
+        solver.train()
+    except Exception as ex:
+        print(ex)
+    paddle.save(model.state_dict(), cfg.TRAIN.save_model_path)
+
+
+# 进行测试
+def eval(cfg: DictConfig):
+    # 重新划分数据集
+    x_train, x_test, y_train, y_test = train_test_split(
+        Xlist, data, test_size=cfg.EVAL.test_size, random_state=cfg.EVAL.seed
+    )
+    x = {
+        "key_{}".format(i): paddle.unsqueeze(
+            paddle.to_tensor(x_test[:, i], "float32"), axis=1
+        )
+        for i in range(x_test.shape[1])
+    }
+    hidden_size = [587, 256]
+    num_layers = None
+    model = ppsci.arch.DNN(
+        input_keys=tuple(x.keys()),
+        hidden_size=hidden_size,
+        num_layers=num_layers,
+        **cfg.MODEL,
+    )
+    model.set_state_dict(paddle.load(cfg.EVAL.load_model_path))
+    ytest = paddle.unsqueeze(paddle.to_tensor(y_test, dtype="float32"), axis=1)
+    ypred = model(x)
+    ytest = {"u": ytest}
+
+    # 计算损失
+    loss = ppsci.metric.MAE()
+    MAE = loss(ypred, ytest).get("u").numpy()
+    loss = ppsci.metric.RMSE()
+    RMSE = loss(ypred, ytest).get("u").numpy()
+    ypred = ypred.get("u").numpy()
+    ytest = ytest.get("u").numpy()
+    R2 = r2_score(ytest, ypred)
+    print("MAE", MAE)
+    print("RMSE", RMSE)
+    print("R2", R2)
+
+    # 可视化
+    plt.scatter(ytest, ypred, s=15, color="royalblue", marker="s", linewidth=1)
+    plt.plot([ytest.min(), ytest.max()], [ytest.min(), ytest.max()], "r-", lw=1)
+    plt.legend(title="R²={:.3f}\n\nMAE={:.3f}".format(R2, MAE))
+    plt.xlabel("Test θ(°)")
+    plt.ylabel("Predicted θ(°)")
+    plt.show()
+
+
+@hydra.main(version_base=None, config_path="./config", config_name="angle.yaml")
+def main(cfg: DictConfig):
+    if cfg.mode == "train":
+        train(cfg)
+    elif cfg.mode == "eval":
+        eval(cfg)
+    else:
+        raise ValueError(f"cfg.mode should in ['train', 'eval'], but got '{cfg.mode}'")
+
+
+# if cfg.mode == "train":
+#     train(cfg)
+# elif cfg.mode == "eval":
+#     evaluate(cfg)
+
+
+if __name__ == "__main__":
+    main()
diff --git a/TADF/TADF_angle/config/angle.yaml b/TADF/TADF_angle/config/angle.yaml
new file mode 100644
index 000000000..b550ae99f
--- /dev/null
+++ b/TADF/TADF_angle/config/angle.yaml
@@ -0,0 +1,75 @@
+defaults: #
+  - ppsci_default #
+  - TRAIN: train_default #
+  - EVAL: eval_default #
+#  - INFER: infer_default #
+  - _self_ #
+
+hydra:
+  run:
+    # dynamic output directory according to running time and override name
+    dir: outputs_angle/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname} #
+  job:
+    name: ${mode} # name of logfile
+    chdir: false # keep current working directory unchanged
+  callbacks:
+    init_callback: #
+      _target_: ppsci.utils.callbacks.InitCallback #
+  sweep:
+    # output directory for multirun
+    dir: ${hydra.run.dir}
+    subdir: ./
+
+# general settings
+mode: eval # running mode: train/eval #
+seed: 42 #
+output_dir: ${hydra:run.dir} #
+log_freq: 20 #
+use_tbd: false #
+
+# model settings
+MODEL: #
+  output_keys: ["u"] #
+  activation: "relu" #
+  dropout: 0.5
+
+# training settings
+TRAIN: #
+  epochs: 200 #
+  iters_per_epoch: 20 #
+  save_freq: 100 #
+  eval_during_train: False #
+  batch_size: 8 #
+  learning_rate: 0.01
+  save_model_path: './angle_model.pth'
+  weight_decay: 1e-5
+  pretrained_model_path: null #
+  checkpoint_path: null #
+  k: 9
+  i: 2
+
+# evaluation settings
+EVAL:
+  test_size: 0.1
+  load_model_path: './angle_model.pth'
+  seed: 20
+  pretrained_model_path: null
+
+# inference settings
+#INFER: #
+#  pretrained_model_path: "https://github.com/YfB1125/PaddleScience/blob/dev_model/TADF/f/output/checkpoints/latest.pdparams" #
+#  export_path: ./inference/viv #
+#  pdmodel_path: ${INFER.export_path}.pdmodel #
+#  pdiparams_path: ${INFER.export_path}.pdiparams #
+#  input_keys: ${MODEL.input_keys} #
+#  output_keys: ["u"]  #
+#  device: cpu #
+#  engine: native #
+#  precision: fp32 #
+#  ir_optim: true #
+#  min_subgraph_size: 10 #
+#  gpu_mem: 4000 #
+#  gpu_id: 0 #
+#  max_batch_size: 64 #
+#  num_cpu_threads: 4 #
+#  batch_size: 16 #
diff --git a/TADF/TADF_angle/output/checkpoints/latest.pdopt b/TADF/TADF_angle/output/checkpoints/latest.pdopt
new file mode 100644
index 000000000..8bbc7d3a9
Binary files /dev/null and b/TADF/TADF_angle/output/checkpoints/latest.pdopt differ
diff --git a/TADF/TADF_angle/output/checkpoints/latest.pdparams b/TADF/TADF_angle/output/checkpoints/latest.pdparams
new file mode 100644
index 000000000..d50789093
Binary files /dev/null and b/TADF/TADF_angle/output/checkpoints/latest.pdparams differ
diff --git a/TADF/TADF_angle/output/checkpoints/latest.pdstates b/TADF/TADF_angle/output/checkpoints/latest.pdstates
new file mode 100644
index 000000000..88e75c56b
Binary files /dev/null and b/TADF/TADF_angle/output/checkpoints/latest.pdstates differ
diff --git a/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/config.yaml b/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/config.yaml
new file mode 100644
index 000000000..1094b88c8
--- /dev/null
+++ b/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/config.yaml
@@ -0,0 +1,46 @@
+mode: train
+output_dir: ${hydra:run.dir}
+log_freq: 20
+seed: 42
+use_vdl: false
+use_tbd: false
+wandb_config: null
+use_wandb: false
+device: gpu
+use_amp: false
+amp_level: O1
+to_static: false
+prim: false
+log_level: info
+TRAIN:
+  epochs: 200
+  iters_per_epoch: 20
+  update_freq: 1
+  save_freq: 100
+  eval_during_train: false
+  start_eval_epoch: 1
+  eval_freq: 1
+  checkpoint_path: null
+  pretrained_model_path: null
+  ema: null
+  swa: null
+  batch_size: 8
+  learning_rate: 0.01
+  save_model_path: ./angle_model.pth
+  weight_decay: 1.0e-05
+  k: 9
+  i: 2
+EVAL:
+  pretrained_model_path: null
+  eval_with_no_grad: false
+  compute_metric_by_batch: false
+  batch_size: 256
+  test_size: 0.1
+  load_model_path: ./angle_model.pth
+  seed: 20
+INFER: null
+MODEL:
+  output_keys:
+  - u
+  activation: relu
+  dropout: 0.5
diff --git a/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/hydra.yaml b/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/hydra.yaml
new file mode 100644
index 000000000..f37250362
--- /dev/null
+++ b/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/hydra.yaml
@@ -0,0 +1,158 @@
+hydra:
+  run:
+    dir: outputs_angle/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][HYDRA] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    loggers:
+      logging_example:
+        level: DEBUG
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task: []
+  job:
+    name: ${mode}
+    chdir: false
+    override_dirname: ''
+    id: ???
+    num: ???
+    config_name: angle.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: C:\Users\41541\TADF\TADF_angle
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: C:\Users\41541\TADF\TADF_angle\config
+      schema: file
+      provider: main
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: C:\Users\41541\TADF\TADF_angle\outputs_angle\2024-10-15\23-12-04
+    choices:
+      EVAL: eval_default
+      TRAIN: train_default
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: default
+      hydra/hydra_logging: default
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false
diff --git a/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/overrides.yaml b/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/overrides.yaml
new file mode 100644
index 000000000..fe51488c7
--- /dev/null
+++ b/TADF/TADF_angle/outputs_angle/2024-10-15/23-12-04/.hydra/overrides.yaml
@@ -0,0 +1 @@
+[]
diff --git a/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/config.yaml b/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/config.yaml
new file mode 100644
index 000000000..af29f832a
--- /dev/null
+++ b/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/config.yaml
@@ -0,0 +1,46 @@
+mode: eval
+output_dir: ${hydra:run.dir}
+log_freq: 20
+seed: 42
+use_vdl: false
+use_tbd: false
+wandb_config: null
+use_wandb: false
+device: gpu
+use_amp: false
+amp_level: O1
+to_static: false
+prim: false
+log_level: info
+TRAIN:
+  epochs: 200
+  iters_per_epoch: 20
+  update_freq: 1
+  save_freq: 100
+  eval_during_train: false
+  start_eval_epoch: 1
+  eval_freq: 1
+  checkpoint_path: null
+  pretrained_model_path: null
+  ema: null
+  swa: null
+  batch_size: 8
+  learning_rate: 0.01
+  save_model_path: ./angle_model.pth
+  weight_decay: 1.0e-05
+  k: 9
+  i: 2
+EVAL:
+  pretrained_model_path: null
+  eval_with_no_grad: false
+  compute_metric_by_batch: false
+  batch_size: 256
+  test_size: 0.1
+  load_model_path: ./angle_model.pth
+  seed: 20
+INFER: null
+MODEL:
+  output_keys:
+  - u
+  activation: relu
+  dropout: 0.5
diff --git a/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/hydra.yaml b/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/hydra.yaml
new file mode 100644
index 000000000..e0df7d062
--- /dev/null
+++ b/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/hydra.yaml
@@ -0,0 +1,158 @@
+hydra:
+  run:
+    dir: outputs_angle/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][HYDRA] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    loggers:
+      logging_example:
+        level: DEBUG
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task: []
+  job:
+    name: ${mode}
+    chdir: false
+    override_dirname: ''
+    id: ???
+    num: ???
+    config_name: angle.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: C:\Users\41541\TADF\TADF_angle
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: C:\Users\41541\TADF\TADF_angle\config
+      schema: file
+      provider: main
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: C:\Users\41541\TADF\TADF_angle\outputs_angle\2024-10-15\23-45-57
+    choices:
+      EVAL: eval_default
+      TRAIN: train_default
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: default
+      hydra/hydra_logging: default
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false
diff --git a/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/overrides.yaml b/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/overrides.yaml
new file mode 100644
index 000000000..fe51488c7
--- /dev/null
+++ b/TADF/TADF_angle/outputs_angle/2024-10-15/23-45-57/.hydra/overrides.yaml
@@ -0,0 +1 @@
+[]
diff --git a/TADF/TADF_angle/smis.txt b/TADF/TADF_angle/smis.txt
new file mode 100644
index 000000000..06fd4771c
--- /dev/null
+++ b/TADF/TADF_angle/smis.txt
@@ -0,0 +1,5136 @@
+c1cc(-c2c3ccoc3cc3ccoc23)n[nH]1
+c1cc(-c2c3cc[nH]c3cc3occc23)c2c(c1)[nH]c1cnccc12
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+c1cc(-c2c3[nH]cnc3cc3nc[nH]c23)[nH]n1
+c1cc(-c2cc3c4c(c2)CCCN4CCC3)cc(-c2cc3cccnc3c3ncccc23)c1
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+c1cc(-c2cc3c4c(c2)CCCN4CCC3)cc(-c2ccc3c(c2)Oc2cccc4c2B3c2ccccc2O4)c1
+c1cc(-c2cc3c4c(c2)CCCN4CCC3)cc(-c2ccc3c(c2)[nH]c2cnccc23)c1
+c1cc(-c2cc3c4c(c2)CCCN4CCC3)cc(-c2cccc3cnc4ccccc4c23)c1
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+c1cc(-c2cc3c4c(c2)CCCN4CCC3)ccc1-c1cnoc1
+c1cc(-c2cc3cc4ccoc4cc3[nH]2)c2nccnc2c1
+c1cc(-c2cc3cc4ccoc4cc3[nH]2)c2sccc2c1
+c1cc(-c2cc3cc4ccoc4cc3[nH]2)c2[nH]c3cnccc3c2c1
+c1cc(-c2cc3cc4cc[nH]c4cc3o2)c2ocnc2c1
+c1cc(-c2cc3cc4cc[nH]c4cc3o2)c2[nH]nnc2c1
+c1cc(-c2cc3cc4occc4cc3o2)c2ncsc2c1
+c1cc(-c2cc3cc4occc4cc3o2)c2occc2c1
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+c1cc(-c2nc3nc4nc[nH]c4nc3[nH]2)c2c(c1)sc1ncccc12
+c1cc(-c2nc3nc4nc[nH]c4nc3[nH]2)c2[nH]c3cnccc3c2c1
+c1cc(-c2nc3nc4ocnc4nc3o2)c2c(c1)sc1ncccc12
+c1cc(-c2nc3nc4ocnc4nc3o2)c2scnc2c1
+c1cc(-c2nccc3c2[nH]c2ccccc23)c2cc[nH]c2c1
+c1cc(-c2nccc3[nH]c4ccccc4c23)c2[nH]nnc2c1
+c1cc(-c2nccc3[nH]c4ccncc4c23)c2[nH]c3ccncc3c2c1
+c1cc(-c2nccc3[nH]ccc23)c2c(c1)cnc1ccccc12
+c1cc(-c2nccc3[nH]ccc23)c2c(c1)sc1ncccc12
+c1cc(-c2nccc3[nH]ccc23)c2nn[nH]c2c1
+c1cc(-c2nccs2)c2c(c1)[nH]c1ccncc12
+c1cc(-c2nccs2)c2ncsc2c1
+c1cc(-c2nccs2)c2[nH]nnc2c1
+c1cc(-c2ncno2)c2ccoc2c1
+c1cc(-c2ncon2)c2c(c1)[nH]c1cnccc12
+c1cc(-c2ncon2)c2sccc2c1
+c1cc(-c2ncon2)c2[nH]c3ccncc3c2c1
+c1cc(-c2ncon2)c2[nH]c3cnccc3c2c1
+c1cc(-c2ncon2)c2[nH]nnc2c1
+c1cc(-c2ncon2)[nH]n1
+c1cc(-n2c3ccccc3c3c4ccccc4[nH]c32)c2[nH]nnc2c1
+c1cc(-n2c3ccccc3c3ccc4[nH]c5ccccc5c4c32)c2nccnc2c1
+c1cc(-n2c3ccccc3c3ccc4[nH]c5ccccc5c4c32)c2ocnc2c1
+c1cc(-n2c3ccccc3c3ccc4[nH]c5ccccc5c4c32)c2sccc2c1
+c1cc(-n2c3ccccc3c3cccnc32)c2c(c1)cnc1ccccc12
+c1cc(-n2c3ccccc3c3cccnc32)c2ncsc2c1
+c1cc(-n2c3ccccc3c3cccnc32)c2[nH]c3ccncc3c2c1
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+c1cc(-n2c3ccccc3c3cnccc32)c2ocnc2c1
+c1cc(-n2c3ccncc3c3cnccc32)c2nn[nH]c2c1
+c1cc(-n2c3ccncc3c3cnccc32)c2ocnc2c1
+c1cc(-n2ccc3cc4ccoc4cc32)c2c(c1)cnc1ccccc12
+c1cc(-n2ccc3cc4ccoc4cc32)c2[nH]c3cnccc3c2c1
+c1cc(-n2ccc3cnccc32)c2c(c1)oc1ncccc12
+c1cc(-n2ccc3cnccc32)c2c(c1)[nH]c1ccncc12
+c1cc(-n2ccc3nc4ccoc4nc32)c2ncoc2c1
+c1cc(-n2cccn2)c2ncoc2c1
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+c1cc(-n2cnc3cc4nc[nH]c4cc32)c2ncsc2c1
+c1cc(-n2cnc3cc4nc[nH]c4cc32)c2[nH]c3ccncc3c2c1
+c1cc(-n2cnc3cc4nc[nH]c4cc32)[nH]n1
+c1cc(-n2cnc3nc4nc[nH]c4nc32)c2ncoc2c1
+c1cc(-n2cnc3nc4nc[nH]c4nc32)c2[nH]ccc2c1
+c1cc2c(-c3c4ncoc4nc4ocnc34)c3ccoc3cc2[nH]1
+c1cc2c(-c3ccc4ncoc4c3)c3ccoc3cc2[nH]1
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+c1cc2c(ccn2-c2cc3nc4ccoc4nc3[nH]2)cn1
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+c1cc2c(ccn2-n2c3ccncc3c3cnccc32)cn1
+c1cc2c(ccn2-n2ccc3nc4ccoc4nc32)cn1
+c1cc2c(cn1)c1cnccc1n2-c1c2ccoc2cc2ccoc12
+c1cc2c(cn1)c1cnccc1n2-c1c2ncoc2cc2ncoc12
+c1cc2c(cn1)c1cnccc1n2-c1c2ncoc2nc2ocnc12
+c1cc2c(cn1)c1cnccc1n2-c1c2[nH]cnc2cc2nc[nH]c12
+c1cc2c(cn1)c1cnccc1n2-c1cc2cc3occc3cc2o1
+c1cc2c(cn1)c1cnccc1n2-c1cc2[nH]ccc2cn1
+c1cc2c(cn1)c1cnccc1n2-c1ccc2c3c1CCCN3CCC2
+c1cc2c(cn1)c1cnccc1n2-c1ccc2cc[nH]c2c1
+c1cc2c(cn1)c1cnccc1n2-c1ccc2ncoc2c1
+c1cc2c(cn1)c1cnccc1n2-c1ccc2ocnc2c1
+c1cc2c(cn1)c1cnccc1n2-c1ccc2scnc2c1
+c1cc2c(cn1)c1cnccc1n2-c1c[nH]c2cc3occc3cc12
+c1cc2c(cn1)c1cnccc1n2-n1cnc2nc3nc[nH]c3cc21
+c1cc2c(cn1)[nH]c1cc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)ccc12
+c1cc2c(cn1)[nH]c1cc(-c3ccc4ncoc4c3)ccc12
+c1cc2c(cn1)[nH]c1cc(-c3ccc4nn[nH]c4c3)ccc12
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+c1cc2c(cn1)[nH]c1cc(-c3ccc4scnc4c3)ccc12
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+c1cc2c(cn1)[nH]c1cc(-c3coc4nc5[nH]ccc5nc34)ccc12
+c1cc2c(cn1)[nH]c1cc(-n3cnc4cc5nc[nH]c5cc43)ccc12
+c1cc2c(cn1)[nH]c1cc(-n3cnc4nc5nc[nH]c5cc43)ccc12
+c1cc2c(cn1)[nH]c1ccc(-c3c4[nH]cnc4cc4nc[nH]c34)cc12
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+c1cc2c(cn1)[nH]c1ccc(-c3ccc4[nH]ccc4c3)cc12
+c1cc2c(cn1)[nH]c1ccc(-c3cncc4c3[nH]c3ccncc34)cc12
+c1cc2c(cn1)[nH]c1ccc(-c3coc4cc5[nH]ccc5cc34)cc12
+c1cc2c(cn1)[nH]c1ccc(-c3nc4cc5ocnc5cc4o3)cc12
+c1cc2cc(-c3ccc4nn[nH]c4c3)ccc2s1
+c1cc2cc(-c3ccc4ocnc4c3)ccc2o1
+c1cc2cc(-n3ccc4nc5ccoc5nc43)ccc2o1
+c1cc2cc3c(-c4c5ncoc5nc5ocnc45)coc3cc2[nH]1
+c1cc2cc3c(-c4ccc5ccsc5c4)c[nH]c3cc2o1
+c1cc2cc3c(-c4ccc5nn[nH]c5c4)c[nH]c3cc2o1
+c1cc2cc3c(-c4ccon4)coc3cc2[nH]1
+c1cc2cc3c(-c4cnoc4)c[nH]c3cc2o1
+c1cc2cc3c(-c4nc5nc6nc[nH]c6nc5[nH]4)coc3cc2[nH]1
+c1cc2cc3c(-c4ncon4)coc3cc2[nH]1
+c1cc2cc3c(-n4cnc5cc6nc[nH]c6cc54)coc3cc2[nH]1
+c1cc2cc3c(-n4cnc5nc6nc[nH]c6cc54)coc3cc2[nH]1
+c1cc2cc3cc(-c4cc5cc6occc6cc5o4)oc3cc2[nH]1
+c1cc2cc3cc(-c4ccc5ccsc5c4)oc3cc2[nH]1
+c1cc2cc3cc(-c4ccc5sccc5c4)oc3cc2[nH]1
+c1cc2cc3cc(-c4ccc5[nH]nnc5c4)[nH]c3cc2o1
+c1cc2cc3cc(-c4coc5cc6ccoc6cc45)[nH]c3cc2o1
+c1cc2cc3cc(-c4nc5cc6ncoc6nc5o4)oc3cc2[nH]1
+c1cc2cc3cc(-c4ncon4)oc3cc2[nH]1
+c1cc2cc3cc(-n4ccc5nc6ccoc6nc54)oc3cc2[nH]1
+c1cc2cc3ccn(-c4ccc5ccsc5c4)c3cc2o1
+c1cc2cc3ccn(-c4ccc5nn[nH]c5c4)c3cc2o1
+c1cc2cc3ccoc3c(-c3c4ncoc4nc4ocnc34)c2[nH]1
+c1cc2cc3ccoc3c(-c3cc4cc5occc5cc4o3)c2[nH]1
+c1cc2cc3ccoc3c(-c3ccc4ccsc4c3)c2[nH]1
+c1cc2cc3occ(-c4cn[nH]c4)c3cc2o1
+c1cc2cc3occ(-n4ccc5nc6ccoc6nc54)c3cc2o1
+c1cc2ccc(-c3ccc4[nH]nnc4c3)cc2[nH]1
+c1cc2ccc(-c3cncs3)cc2[nH]1
+c1cc2ccc(-c3cn[nH]c3)cc2s1
+c1cc2ccc(-c3nc4cc5nc[nH]c5cc4[nH]3)cc2[nH]1
+c1cc2ccc(-c3nc4nc5nc[nH]c5nc4[nH]3)cc2[nH]1
+c1cc2cnc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)cc2[nH]1
+c1cc2cnc(-c3ccc4scnc4c3)cc2[nH]1
+c1cc2cnc(-c3coc4cc5[nH]ccc5cc34)cc2[nH]1
+c1cc2cnc(-c3c[nH]c4cc5occc5cc34)cc2[nH]1
+c1cc2cnc(-n3ccc4nc5ccoc5nc43)cc2[nH]1
+c1cc2cncc(-c3c4[nH]ccc4cc4ccoc34)c2[nH]1
+c1cc2cncc(-c3ccc4ccsc4c3)c2[nH]1
+c1cc2cncc(-c3ccc4ncoc4c3)c2[nH]1
+c1cc2cncc(-c3ccc4[nH]nnc4c3)c2[nH]1
+c1cc2nc3c(-c4c5ncoc5nc5ocnc45)coc3nc2[nH]1
+c1cc2nc3c(-c4c5ncsc5cc5ncsc45)c[nH]c3nc2o1
+c1cc2nc3c(-c4ccc5nn[nH]c5c4)coc3nc2[nH]1
+c1cc2nc3c(-c4ccc5sccc5c4)coc3nc2[nH]1
+c1cc2nc3c(-c4ccc5[nH]nnc5c4)coc3nc2[nH]1
+c1cc2nc3c(-c4coc5cc6ccoc6cc45)coc3nc2[nH]1
+c1cc2nc3c(-c4nc5nc6ocnc6nc5o4)c[nH]c3nc2o1
+c1cc2nc3cc(-c4c5ncoc5nc5ocnc45)oc3nc2[nH]1
+c1cc2nc3cc(-c4c5ncoc5nc5ocnc45)[nH]c3nc2o1
+c1cc2nc3cc(-c4ccc5ocnc5c4)oc3nc2[nH]1
+c1cc2nc3cc(-c4ccon4)oc3nc2[nH]1
+c1cc2nc3cc(-c4cn[nH]c4)oc3nc2[nH]1
+c1cc2nc3ccn(-c4c5ncsc5cc5ncsc45)c3nc2o1
+c1cc2nc3ccn(-c4ccc5sccc5c4)c3nc2o1
+c1cc2nc3ccn(-c4ccc5scnc5c4)c3nc2o1
+c1cc2nc3ccn(-c4ccc5[nH]nnc5c4)c3nc2o1
+c1cc2nc3ccn(-c4cscn4)c3nc2o1
+c1cc2[nH]c(-c3ccc4sccc4c3)cc2cn1
+c1cc2[nH]c(-c3coc4cc5ccoc5cc34)cc2cn1
+c1cc2[nH]c3c(-c4c5ccoc5cc5ccoc45)cncc3c2cn1
+c1cc2[nH]c3c(-c4c5ncsc5cc5ncsc45)cncc3c2cn1
+c1cc2[nH]c3c(-c4c5[nH]cnc5cc5nc[nH]c45)cncc3c2cn1
+c1cc2[nH]c3c(-c4cc5cc6ccoc6cc5[nH]4)cncc3c2cn1
+c1cc2[nH]c3c(-c4ccc5sccc5c4)cncc3c2cn1
+c1cc2[nH]c3c(-c4ccc5scnc5c4)cncc3c2cn1
+c1cc2[nH]c3c(-c4ccno4)cncc3c2cn1
+c1cc2[nH]c3c(-c4ccon4)cncc3c2cn1
+c1cc2[nH]c3c(-c4cnoc4)cncc3c2cn1
+c1cc2[nH]c3c(-c4c[nH]c5nc6occc6nc45)cncc3c2cn1
+c1cc2[nH]c3cc(-c4c5cc[nH]c5cc5occc45)ncc3c2cn1
+c1cc2[nH]c3cc(-c4cc5c6c(c4)CCCN6CCC5)ncc3c2cn1
+c1cc2[nH]c3cc(-c4cc5cc6ccoc6cc5[nH]4)ncc3c2cn1
+c1cc2[nH]c3cc(-c4ccc5ccoc5c4)ncc3c2cn1
+c1cc2[nH]c3cc(-c4ccc5[nH]c6ccncc6c5c4)ncc3c2cn1
+c1cc2[nH]c3cc(-c4ccc5[nH]nnc5c4)ncc3c2cn1
+c1cc2[nH]c3cc(-c4cncc5c4[nH]c4ccncc45)ncc3c2cn1
+c1cc2[nH]c3cc(-c4coc5nc6[nH]ccc6nc45)ncc3c2cn1
+c1cc2[nH]c3cc(-c4nc5cc6nc[nH]c6cc5[nH]4)ncc3c2cn1
+c1cc2[nH]c3cc(-c4nc5nc6nc[nH]c6cc5[nH]4)ccc3c2cn1
+c1cc2[nH]c3cc(-n4cnc5cc6nc[nH]c6cc54)ccc3c2cn1
+c1cc2[nH]c3ccc(-c4cc5nc6cc[nH]c6nc5o4)cc3c2cn1
+c1cc2[nH]c3ccc(-c4cc5[nH]ccc5cn4)cc3c2cn1
+c1cc2[nH]c3ccc(-c4nc5nc6nc[nH]c6nc5[nH]4)cc3c2cn1
+c1cc2[nH]c3ccc(-c4ncon4)cc3c2cn1
+c1cc2[nH]c3ccnc(-c4c5ccoc5cc5ccoc45)c3c2cn1
+c1cc2[nH]c3ccnc(-c4cc5c6c(c4)CCCN6CCC5)c3c2cn1
+c1cc2[nH]c3ccnc(-c4ccc5nn[nH]c5c4)c3c2cn1
+c1cc2[nH]c3ccnc(-c4cnoc4)c3c2cn1
+c1cc2[nH]c3ccnc(-c4ncno4)c3c2cn1
+c1cc2[nH]cc(-c3ccc4[nH]nnc4c3)c2cn1
+c1cc2[nH]cc(-c3ccn[nH]3)c2cn1
+c1cc2[nH]cc(-c3cncc4c3[nH]c3ccncc34)c2cn1
+c1cc2[nH]cc(-c3coc4cc5[nH]ccc5cc34)c2cn1
+c1cc2[nH]cc(-c3coc4nc5[nH]ccc5nc34)c2cn1
+c1cc2[nH]cc(-c3nc4cc5ocnc5cc4o3)c2cn1
+c1cc2[nH]cc(-n3cnc4nc5nc[nH]c5nc43)c2cn1
+c1cc2[nH]ccc2c(-c2cc3cc4ccoc4cc3[nH]2)n1
+c1cc2[nH]ccc2c(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cc2)n1
+c1cc2[nH]ccc2c(-c2ccc3ccoc3c2)n1
+c1ccc(-c2c3[nH]ccc3cc3ccoc23)c(-c2cnccn2)c1
+c1ccc(-c2c3[nH]cnc3cc3nc[nH]c23)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1(c2nccc(c2)c2ccc3CCc4c(cccc4)Nc3c2)ncccc1
+c1ccc(-c2cc(-c3ccc4c(n3)sc3ncccc34)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4c5c3CCCN5CCC4)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4[nH]c5c(ccc6[nH]c7ccccc7c65)c4c3)ccn2)nc1
+c1ccc(-c2cc(-c3ccc4[nH]c5ccc6c7ccccc7[nH]c6c5c4c3)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4c3sc3ncccc34)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4c3[nH]c3cnccc34)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4c5ccccc5c5nccnc5c34)ccn2)nc1
+c1ccc(-c2cc(-c3cccc4cnc5ccccc5c34)ccn2)nc1
+c1ccc(-c2cc(-c3cncc4[nH]c5ccccc5c34)ccn2)nc1
+c1ccc(-c2cc(-c3coc4cc5ccoc5cc34)ccn2)nc1
+c1ccc(-c2cc(-c3coc4nc5[nH]ccc5nc34)ccn2)nc1
+c1ccc(-c2cc(-c3nccc4[nH]c5ccccc5c34)ccn2)nc1
+c1ccc(-c2cc3c4c(c2-c2cc5cccnc5c5ncccc25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cc5cnccc5[nH]2)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5c2[nH]c2ncccc25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5cnc6ccccc6c25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5ocnc25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cccc5sc6ccccc6c25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4c(c2-c2cncc5[nH]c6ccccc6c25)CCCN4CCC3)cc1
+c1ccc(-c2cc3c4ccccc4[nH]c3c3c2[nH]c2ccccc23)c(-c2cnccn2)c1
+c1ccc(-c2cc3nc4cc[nH]c4nc3o2)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2cc3nc4cc[nH]c4nc3o2)c(-c2cnccn2)c1
+c1(c2ncc(cc2)N2c3c(Sc4c2cccc4)cccc3)ncccc1
+c1ccc(-c2ccc(-c3c4cc[nH]c4cc4occc34)cn2)nc1
+c1ccc(-c2ccc(-c3cc4c5c(c3)CCCN5CCC4)cn2)nc1
+c1(c2ncc(cc2)c2cc3c(Sc4c(cccc4)N3)cc2)ncccc1
+c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3nccnc43)cn2)nc1
+c1ccc(-c2ccc(-c3ccc4c(c3)Oc3ccccc3O4)cn2)nc1
+c1ccc(-c2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc(-c4cc5c6c(c4)CCCN6CCC5)c3)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c3cnc3ccccc34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c3[nH]c3cnccc34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c5ccccc5c5nc[nH]c5c34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4c5ccccc5c5[nH]cnc5c34)cn2)nc1
+c1ccc(-c2ccc(-c3cccc4cc[nH]c34)cn2)nc1
+c1ccc(-c2ccc(-c3ccnnc3)cn2)nc1
+c1ccc(-c2ccc(-c3cnc4oc5ccccc5c4c3)cn2)nc1
+c1ccc(-c2ccc(-c3cnc4sc5ncccc5c4c3)cn2)nc1
+c1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5[nH]c43)cn2)nc1
+c1ccc(-c2ccc(-n3c4ccccc4c4cnccc43)cn2)nc1
+c1ccc(-c2ccc3c(c2)[nH]c2cnccc23)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2ccc3ccc4cccnc4c3n2)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2ccc3nn[nH]c3c2)c(-c2cc3c4c(c2)CCCN4CCC3)c1
+c1ccc(-c2cccc(-c3c4ccoc4cc4ccoc34)n2)nc1
+c1ccc(-c2cccc(-c3c4cc[nH]c4cc4occc34)n2)nc1
+c1ccc(-c2cccc(-c3cc4cc5occc5cc4o3)n2)nc1
+c1ccc(-c2cccc(-c3cc4[nH]c5ccccc5c4c4[nH]c5ccccc5c34)n2)nc1
+c1(c2ncccc2)nc(ccc1)c1cc2CCc3c(cccc3)Nc2cc1
+c1ccc(-c2cccc(-c3ccc4c(c3)[nH]c3c4ccc4[nH]c5ccccc5c43)n2)nc1
+c1ccc(-c2cccc(-c3ccc4cc[nH]c4c3)n2)nc1
+c1ccc(-c2cccc(-c3ccc4ncoc4c3)n2)nc1
+c1ccc(-c2cccc(-c3ccc4[nH]c5c(ccc6[nH]c7ccccc7c65)c4c3)n2)nc1
+c1ccc(-c2cccc(-c3cccc(-c4cc5c6c(c4)CCCN6CCC5)c3)n2)nc1
+c1(c2ncccc2)nc(ccc1)c1c2CCc3c(cccc3)Nc2ccc1
+c1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)n2)nc1
+c1ccc(-c2cccc(-c3cccc4oc5ccccc5c34)n2)nc1
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+n1oc(cc1)N1c2c(CCc3c1cccc3)cccc2
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+c1ccc2c(c1)ccn2-c1c2[nH]cnc2cc2nc[nH]c12
+c1ccc2c(c1)ccn2-c1c2[nH]cnc2nc2nc[nH]c12
+c1ccc2c(c1)ccn2-c1ccc2[nH]c3cnccc3c2c1
+c1ccc2c(c1)ccn2-c1cccc2c1sc1ccccc12
+c1ccc2c(c1)ccn2-c1cccc2ocnc12
+c1ccc2c(c1)ccn2-c1cccc2sc3ccccc3c12
+c1ccc2c(c1)ccn2-c1ccno1
+c1ccc2c(c1)ccn2-c1cnc2ccccc2n1
+c1ccc2c(c1)ccn2-c1cnc2[nH]c3ccccc3c2c1
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+c1cnc2ccc(-c3ccc4oc5ncccc5c4c3)nc2c1
+c1cnc2ccc(-c3ccc4scnc4c3)nc2c1
+c1cnc2ccc(-c3ccc4[nH]c5ccc6c7ccccc7[nH]c6c5c4c3)nc2c1
+c1cnc2ccc(-c3ccc4[nH]ccc4c3)nc2c1
+c1cnc2ccc(-c3cccc4oc5ccccc5c34)nc2c1
+c1cnc2ccc(-c3cccc4ocnc34)nc2c1
+c1cnc2ccc(-c3cccc4[nH]c5ccc6c7ccccc7[nH]c6c5c34)nc2c1
+c1cnc2ccc(-c3ccnnc3)nc2c1
+c1cnc2ccc(-c3cncc4c3[nH]c3ccncc34)nc2c1
+c1cnc2ccc(-c3coc4nc5[nH]ccc5nc34)nc2c1
+c1cnc2ccc(-c3c[nH]c4cc5occc5cc34)nc2c1
+c1cnc2ccc(-c3nc4ccccc4s3)nc2c1
+c1cnc2ccc(-n3c4ccccc4c4cnccc43)nc2c1
+c1cnc2nc(-c3c4cc[nH]c4cc4occc34)cnc2n1
+c1cnc2nc(-c3cc4cc5ccoc5cc4[nH]3)cnc2n1
+c1cnc2nc(-c3cc4nc5ccoc5nc4[nH]3)cnc2n1
+c1cnc2nc(-c3ccc4c(n3)sc3ncccc34)ccc2c1
+c1cnc2nc(-c3ccc4ncc5ccccc5c4c3)ccc2c1
+c1cnc2nc(-c3ccc4ncsc4c3)cnc2n1
+c1cnc2nc(-c3ccc4oc5ccccc5c4c3)ccc2c1
+c1cnc2nc(-c3ccc4oc5ncccc5c4c3)ccc2c1
+c1cnc2nc(-c3ccc4[nH]ccc4c3)ccc2c1
+c1cnc2nc(-c3cccc4c3oc3ncccc34)ccc2c1
+c1cnc2nc(-c3cccc4c3sc3ncccc34)ccc2c1
+c1cnc2nc(-c3cccc4c5ccccc5c5[nH]cnc5c34)ccc2c1
+c1cnc2nc(-c3cccc4cnc5ccccc5c34)ccc2c1
+c1cnc2nc(-c3cccc4oc5ncccc5c34)ccc2c1
+c1cnc2nc(-c3cccc4ocnc34)ccc2c1
+c1cnc2nc(-c3cc[nH]n3)cnc2n1
+c1cnc2nc(-c3cncc4[nH]c5ccccc5c34)ccc2c1
+c1cnc2nc(-c3c[nH]c4nc5occc5nc34)cnc2n1
+c1cnc2nc(-n3c4ccccc4c4c5ccccc5[nH]c43)ccc2c1
+c1cnc2nc(-n3c4ccccc4c4ccncc43)ccc2c1
+c1cnc2ncc(-c3c4ccoc4cc4ccoc34)cc2c1
+c1cnc2ncc(-c3cc4nc5cc[nH]c5nc4o3)cc2c1
+c1cnc2ncc(-c3cc4[nH]c5ccccc5c4cn3)cc2c1
+c1cnc2ncc(-c3ccc4c(c3)[nH]c3cnccc34)cc2c1
+c1cnc2ncc(-c3ccc4c(n3)sc3ccccc34)cc2c1
+c1cnc2ncc(-c3ccc4[nH]c5ccncc5c4c3)cc2c1
+c1cnc2ncc(-c3ccc4[nH]c5cnccc5c4c3)cc2c1
+c1cnc2ncc(-c3cccc4c3cnc3ccccc34)cc2c1
+c1cnc2ncc(-c3cccc4c3[nH]c3cnccc34)cc2c1
+c1cnc2ncc(-c3cccc4c3[nH]c3[nH]c5ccccc5c34)cc2c1
+c1cnc2ncc(-c3cccc4c5ccccc5c5[nH]cnc5c34)cc2c1
+c1cnc2ncc(-c3cccc4scnc34)cc2c1
+c1cnc2ncc(-c3cc[nH]n3)cc2c1
+c1cnc2ncc(-c3cncc4c3[nH]c3ccccc34)cc2c1
+c1cnc2ncc(-c3coc4nc5[nH]ccc5nc34)cc2c1
+c1cnc2ncc(-c3nc4ccccc4s3)cc2c1
+c1cnc2ncc(-c3nccc4[nH]c5ccccc5c34)cc2c1
+c1cnc2ncc(-n3cnc4c5ccccc5c5ccccc5c43)cc2c1
+c1cnc2nccc(-c3cc4[nH]c5ccncc5c4cn3)c2c1
+c1cnc2nccc(-c3ccc(-c4cc5c6c(c4)CCCN6CCC5)cc3)c2c1
+c1cnc2nccc(-c3ccc4c5ccccc5c5nccnc5c4c3)c2c1
+c1cnc2nccc(-c3ccc4ccsc4c3)c2c1
+c1cnc2nccc(-c3ccc4occc4c3)c2c1
+c1cnc2nccc(-c3ccc4sc5ncccc5c4c3)c2c1
+c1cnc2nccc(-c3cccc4c5[nH]cnc5c5ccccc5c34)c2c1
+c1cnc2nccc(-c3nc4nc5nc[nH]c5nc4[nH]3)c2c1
+c1cnc2nccc(-n3c4ccccc4c4ccncc43)c2c1
+c1cnc2nccc(-n3ccc4cc5ccoc5cc43)c2c1
+c1cnc2nccc(-n3cnc4c5ccccc5c5ccccc5c43)c2c1
+c1cnc2oc3c(-c4c5[nH]cnc5cc5nc[nH]c45)cccc3c2c1
+c1cnc2oc3c(-c4ccc5ncoc5c4)cccc3c2c1
+c1cnc2oc3c(-c4cnc5nccnc5n4)cccc3c2c1
+c1cnc2oc3c(-c4cncc5c4[nH]c4ccncc45)cccc3c2c1
+c1cnc2oc3c(-c4ncon4)cccc3c2c1
+c1cnc2oc3cc(-c4c5[nH]cnc5cc5nc[nH]c45)ccc3c2c1
+c1cnc2oc3cc(-c4cc5nc6cc[nH]c6nc5o4)ccc3c2c1
+c1cnc2oc3cc(-c4ccc5ncoc5c4)ccc3c2c1
+c1cnc2oc3cc(-c4cccc5c4[nH]c4cnccc45)ccc3c2c1
+c1cnc2oc3cc(-c4c[nH]c5ccncc45)ccc3c2c1
+c1cnc2oc3cc(-n4cnc5cc6nc[nH]c6cc54)ccc3c2c1
+c1cnc2oc3ccc(-c4c5[nH]cnc5nc5nc[nH]c45)cc3c2c1
+c1cnc2oc3ccc(-c4cc5cnccc5[nH]4)cc3c2c1
+c1cnc2oc3ccc(-c4cc5nc6cc[nH]c6nc5o4)cc3c2c1
+c1cnc2oc3ccc(-c4cc5[nH]c6ccncc6c5cn4)cc3c2c1
+c1cnc2oc3ccc(-c4ccc5c(c4)[nH]c4cnccc45)cc3c2c1
+c1cnc2oc3ccc(-c4ccc5sccc5c4)cc3c2c1
+c1cnc2oc3ccc(-c4c[nH]c5ccncc45)cc3c2c1
+c1cnc2oc3ccc(-c4nc5cc6nc[nH]c6cc5[nH]4)cc3c2c1
+c1cnc2sc3c(-c4c5[nH]cnc5nc5nc[nH]c45)cccc3c2c1
+c1cnc2sc3c(-c4cncs4)cccc3c2c1
+c1cnc2sc3c(-c4nc5cc6nc[nH]c6cc5[nH]4)cccc3c2c1
+c1cnc2sc3c(-c4nc5nc6ocnc6nc5o4)cccc3c2c1
+c1cnc2sc3c(-c4nccs4)cccc3c2c1
+c1cnc2sc3c(-c4ncon4)cccc3c2c1
+c1cnc2sc3c(-n4cnc5nc6nc[nH]c6cc54)cccc3c2c1
+c1cnc2sc3cc(-c4c5nc[nH]c5cc5[nH]cnc45)ccc3c2c1
+c1cnc2sc3cc(-c4cc5cnccc5[nH]4)ccc3c2c1
+c1cnc2sc3cc(-c4coc5cc6ccoc6cc45)ccc3c2c1
+c1cnc2sc3cc(-c4c[nH]c5nc6occc6nc45)ccc3c2c1
+c1cnc2sc3cc(-c4ncno4)ccc3c2c1
+c1cnc2sc3cc(-n4c5ccccc5c5ccncc54)ccc3c2c1
+c1cnc2sc3ccc(-c4c5nc[nH]c5cc5[nH]cnc45)cc3c2c1
+c1cnc2sc3ccc(-c4cc5[nH]c6ccncc6c5cn4)cc3c2c1
+c1cnc2sc3ccc(-c4ccc(-c5cnccn5)cc4)cc3c2c1
+c1cnc2sc3ccc(-c4nc5nc6ocnc6nc5o4)cc3c2c1
+c1cnc2sc3ccc(-c4nccc5[nH]c6ccncc6c45)cc3c2c1
+c1cnc2sc3ccc(-n4cnc5nc6nc[nH]c6cc54)cc3c2c1
+c1cnc2sc3nc(-c4c5[nH]cnc5nc5nc[nH]c45)ccc3c2c1
+c1cnc2sc3nc(-c4ccc5nn[nH]c5c4)ccc3c2c1
+c1cnc2sc3nc(-c4ccc5ocnc5c4)ccc3c2c1
+c1cnc2sc3nc(-c4ccc5[nH]nnc5c4)ccc3c2c1
+c1cnc2sc3nc(-c4cnoc4)ccc3c2c1
+c1cnc2sc3nc(-c4nc5nc6nc[nH]c6nc5[nH]4)ccc3c2c1
+c1cnc2sc3nc(-c4nccc5[nH]ccc45)ccc3c2c1
+c1cnc2sc3ncc(-c4cc5nc6ccoc6nc5[nH]4)cc3c2c1
+c1cnc2sc3ncc(-c4cscn4)cc3c2c1
+c1cnc2sc3ncc(-c4c[nH]c5nc6occc6nc45)cc3c2c1
+c1cnc2sc3ncc(-n4c5ccccc5c5ccncc54)cc3c2c1
+c1cnc2sc3ncc(-n4c5ccncc5c5cnccc54)cc3c2c1
+c1cnc2sc3ncc(-n4cnc5nc6nc[nH]c6nc54)cc3c2c1
+c1cnc2sc3nccc(-c4cc5cnccc5[nH]4)c3c2c1
+c1cnc2sc3nccc(-c4ccc5ncoc5c4)c3c2c1
+c1cnc2sc3nccc(-c4ccc5ocnc5c4)c3c2c1
+c1cnc2sc3nccc(-c4ccon4)c3c2c1
+c1cnc2sc3nccc(-c4cnc5nccnc5n4)c3c2c1
+c1cnc2sc3nccc(-c4nc5nc6nc[nH]c6cc5[nH]4)c3c2c1
+c1cnc2sc3nccc(-n4c5ccccc5c5ccncc54)c3c2c1
+c1cnc2[nH]c3c(-c4c5cc[nH]c5cc5occc45)cccc3c2c1
+c1cnc2[nH]c3c(-c4cc5cc6ccoc6cc5[nH]4)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5c(c4)c4ccccc4c4nccnc54)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5c6ccccc6c6nccnc6c5c4)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5oc6ncccc6c5c4)cccc3c2c1
+c1cnc2[nH]c3c(-c4ccc5[nH]c6ccncc6c5c4)cccc3c2c1
+c1cnc2[nH]c3c(-c4c[nH]c5nc6occc6nc45)cccc3c2c1
+c1cnc2[nH]c3c(-c4nc5cc6ocnc6cc5o4)cccc3c2c1
+c1cnc2[nH]c3c(-c4nc5nc6nc[nH]c6nc5[nH]4)cccc3c2c1
+c1cnc2[nH]c3c(-c4nccc5[nH]c6ccncc6c45)cccc3c2c1
+c1cnc2[nH]c3cc(-c4c5ncoc5cc5ncoc45)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5c(n4)sc4ncccc45)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5c6ccccc6c6nc[nH]c6c5c4)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5occc5c4)ccc3c2c1
+c1cnc2[nH]c3cc(-c4ccc5[nH]c6ccncc6c5c4)ccc3c2c1
+c1cnc2[nH]c3cc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)ccc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5c(c4)oc4ncccc45)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5c6ccccc6c6nccnc6c5c4)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5ccoc5c4)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccc5oc6ncccc6c5c4)cc3c2c1
+c1cnc2[nH]c3ccc(-c4cccc5c6ccccc6c6[nH]cnc6c45)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccnc5sc6ncccc6c45)cc3c2c1
+c1cnc2[nH]c3ccc(-c4ccnnc4)cc3c2c1
+c1cnc2[nH]c3ccc(-n4c5ccccc5c5cnccc54)cc3c2c1
+c1cnc2[nH]c3ccc(-n4cnc5nc6nc[nH]c6nc54)cc3c2c1
+c1cnn(-c2ccc(-c3cnccn3)cc2)c1
+c1cnn(-c2ccc3[nH]nnc3c2)c1
+c1cnn(-c2cscn2)c1
+c1cnn(-c2c[nH]c3nc4occc4nc23)c1
+c1cnn(-n2cnc3nc4nc[nH]c4nc32)c1
+c1cnnc(-c2cc3cccnc3c3ncccc23)c1
+c1cnnc(-c2ccc(-c3cnccn3)cc2)c1
+c1cnnc(-c2ccc3c(c2)[nH]c2ncccc23)c1
+c1cnnc(-c2ccc3c(cnc4ccccc43)c2)c1
+c1cnnc(-c2ccc3sc4ccccc4c3c2)c1
+c1cnnc(-c2ccc3[nH]c4cnccc4c3c2)c1
+c1cnnc(-c2cccc3cnc4ccccc4c23)c1
+c1cnnc(-c2ccnc3c2ccc2cccnc23)c1
+c1cnnc(-c2ccnc3cccnc23)c1
+c1cnnc(-c2cnc3[nH]c4ccccc4c3c2)c1
+c1cnnc(-c2cncc3cc[nH]c23)c1
+c1cnnc(-c2cnoc2)c1
+c1cnnc(-c2cscn2)c1
+c1cnnc(-c2nccs2)c1
+c1cnnc(-n2nnc3ccccc32)c1
+c1csc(-c2c3ncsc3cc3ncsc23)n1
+c1csc(-c2cc3nc4ccoc4nc3[nH]2)n1
+c1csc(-c2ccc3ccsc3c2)n1
+c1csc(-c2cn[nH]c2)n1
+c1csc(-c2coc3cc4[nH]ccc4cc23)n1
+c1csc(-c2c[nH]c3nc4occc4nc23)n1
+c1nc(-c2ccc3sccc3c2)cs1
+c1nc(-n2ccc3nc4ccoc4nc32)no1
+c1nc2c(-c3c4ncsc4cc4ncsc34)c3nc[nH]c3cc2[nH]1
+c1nc2c(-c3ccc4c5c3CCCN5CCC4)c3nc[nH]c3cc2[nH]1
+c1nc2c(-c3ccc4ncsc4c3)c3ncoc3nc2o1
+c1nc2c(-c3ccc4nn[nH]c4c3)c3ncoc3nc2o1
+c1nc2c(-c3ccc4scnc4c3)c3ncoc3nc2o1
+c1nc2c(-c3ccc4[nH]nnc4c3)c3scnc3cc2s1
+c1nc2c(-c3nc4nc5nc[nH]c5nc4[nH]3)c3nc[nH]c3cc2[nH]1
+c1nc2c(-n3ccc4nc5ccoc5nc43)c3nc[nH]c3cc2[nH]1
+c1nc2cc(-c3ccc4ncsc4c3)ccc2o1
+c1nc2cc(-c3ccc4nn[nH]c4c3)ccc2o1
+c1nc2cc(-c3ccc4ocnc4c3)ccc2o1
+c1nc2cc(-c3cnoc3)ccc2s1
+c1nc2cc(-c3cscn3)ccc2o1
+c1nc2cc3nc(-c4cc5nc6ccoc6nc5[nH]4)[nH]c3cc2[nH]1
+c1nc2cc3nc(-c4ccc5ccsc5c4)[nH]c3cc2[nH]1
+c1nc2cc3nc(-c4ccc5scnc5c4)oc3nc2o1
+c1nc2cc3nc(-c4ccc5[nH]nnc5c4)oc3nc2o1
+c1nc2cc3nc(-c4c[nH]c5nc6occc6nc45)[nH]c3cc2[nH]1
+c1nc2cc3ncn(-c4c5cc[nH]c5cc5occc45)c3cc2[nH]1
+c1nc2cc3ncn(-c4cc5c6c(c4)CCCN6CCC5)c3cc2[nH]1
+c1nc2cc3ncn(-c4ccc5ccsc5c4)c3cc2[nH]1
+c1nc2cc3ncn(-c4ccc5scnc5c4)c3cc2[nH]1
+c1nc2cc3oc(-c4ccc5nn[nH]c5c4)nc3cc2o1
+c1nc2cc3oc(-c4cnoc4)nc3cc2o1
+c1nc2ccc(-c3c4ncoc4nc4ocnc34)cc2o1
+c1nc2ccc(-c3c4ncsc4cc4ncsc34)cc2o1
+c1nc2ccc(-c3cnoc3)cc2o1
+c1nc2ccc(-c3c[nH]c4nc5occc5nc34)cc2o1
+c1nc2ccc(-c3nc4nc5ocnc5nc4o3)cc2o1
+c1nc2nc3nc(-c4c5ncsc5cc5ncsc45)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4c5[nH]ccc5cc5ccoc45)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4cc5nc6ccoc6nc5[nH]4)[nH]c3cc2[nH]1
+c1nc2nc3nc(-c4ccc5scnc5c4)[nH]c3cc2[nH]1
+c1nc2nc3nc(-c4c[nH]c5nc6occc6nc45)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4nc5cc6ncoc6nc5o4)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4nc5nc6nc[nH]c6nc5[nH]4)[nH]c3cc2[nH]1
+c1nc2nc3nc(-c4nc5nc6nc[nH]c6nc5[nH]4)[nH]c3nc2[nH]1
+c1nc2nc3nc(-c4nc5nc6ocnc6nc5o4)[nH]c3nc2[nH]1
+c1nc2nc3ncn(-c4c5[nH]ccc5cc5ccoc45)c3cc2[nH]1
+c1nc2nc3ncn(-c4c5[nH]ccc5cc5ccoc45)c3nc2[nH]1
+c1nc2nc3ncn(-c4c5[nH]cnc5nc5nc[nH]c45)c3nc2[nH]1
+c1nc2nc3ncn(-c4cc5nc6ccoc6nc5[nH]4)c3cc2[nH]1
+c1nc2nc3ncn(-c4ccc(-c5cc6c7c(c5)CCCN7CCC6)cc4)c3nc2[nH]1
+c1nc2nc3ncn(-c4ccc5ncoc5c4)c3nc2[nH]1
+c1nc2nc3ncn(-c4ncon4)c3nc2[nH]1
+c1nc2nc3nc[nH]c3c(-c3c4ncoc4cc4ncoc34)c2[nH]1
+c1nc2nc3nc[nH]c3c(-c3ccc4ocnc4c3)c2[nH]1
+c1nc2nc3nc[nH]c3c(-c3c[nH]c4cc5occc5cc34)c2[nH]1
+c1nc2nc3oc(-c4c5ncsc5cc5ncsc45)nc3nc2o1
+c1nc2nc3oc(-c4ccc(-c5cc6c7c(c5)CCCN7CCC6)cc4)nc3nc2o1
+c1nc2nc3oc(-c4ccc5scnc5c4)nc3nc2o1
+c1ncc(-c2ccc3[nH]nnc3c2)s1
+c1noc(-c2c3ncsc3cc3ncsc23)n1
+c1noc(-c2cc3c4c(c2)CCCN4CCC3)n1
+c1noc(-c2ccc3ocnc3c2)n1
+c1noc(-c2coc3cc4ccoc4cc23)n1
+c1noc(-c2nc3cc4ocnc4cc3o2)n1
+c1noc(-c2nc3nc4nc[nH]c4nc3[nH]2)n1
+c1nocc1-c1ccc2c3c1CCCN3CCC2
+CC(=O)c1ccc(cc1)N1c2c(C(C)c3c1cccc3)cccc2
+CC(=O)c1ccc(-c2cc(C)c3[nH]c4c(C)cccc4c3c2)cc1
+CC(=O)c1ccc(-c2cc(N(C)C)c3ccccc3c2)cc1
+CC(=O)c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1
+CC(=O)c1ccc(-c2cc3c4ccccc4[nH]c3c3c2[nH]c2ccccc23)cc1
+CC(=O)c1ccc(-c2cc3cc4cc[nH]c4cc3o2)cc1
+CC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1
+CC(=O)c1ccc(cc1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+CC(=O)c1ccc(cc1)c1cc2c(Sc3c(cccc3)N2)cc1
+CC(=O)c1ccc(cc1)c1ccc2c(C(C)(c3c(cccc3)N2)C)c1
+CC(=O)c1ccc(cc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+CC(=O)c1ccc(-c2ccc3c(c2)Oc2ccccc2N3C)cc1
+CC(=O)c1ccc(-c2ccc3c(c2)[nH]c2ccc4c5ccccc5[nH]c4c23)cc1
+CC(=O)c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cc1
+CC(=O)c1ccc(-c2ccc3c(n2)sc2ccccc23)cc1
+CC(=O)c1ccc(-c2ccc3c4c(C)c(C)c(C)cc4n(C)c3c2)cc1
+CC(=O)c1ccc(-c2ccc3oc4ncccc4c3c2)cc1
+CC(=O)c1ccc(-c2ccc3[nH]c4ccc5c6ccccc6[nH]c5c4c3c2)cc1
+CC(=O)c1ccc(-c2cccc(N)c2)cc1
+CC(=O)c1ccc(-c2cccc3c(=O)c4ccccc4[nH]c23)cc1
+CC(=O)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1
+CC(=O)c1ccc(cc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+CC(=O)c1ccc(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+CC(=O)c1ccc(-c2cccc3c2ncc2ccccc23)cc1
+CC(=O)c1ccc(-c2cccc3c2[nH]c2[nH]c4ccccc4c23)cc1
+CC(=O)c1ccc(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+CC(=O)c1ccc(-c2cccc3oc4ccccc4c23)cc1
+CC(=O)c1ccc(-c2cccc3oc4ncccc4c23)cc1
+CC(=O)c1ccc(-c2cccc3occc23)cc1
+CC(=O)c1ccc(-c2cccc3scnc23)cc1
+CC(=O)c1ccc(-c2cccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c23)cc1
+CC(=O)c1ccc(-c2cccc3[nH]c4ccncc4c23)cc1
+CC(=O)c1ccc(-c2cc[nH]n2)cc1
+CC(=O)c1ccc(-c2coc3nc4[nH]ccc4nc23)cc1
+CC(=O)c1ccc(-c2nc3cc4scnc4cc3s2)cc1
+CC(=O)c1ccc(-c2nc3ccccc3o2)cc1
+CC(=O)c1ccc(-c2nccc3c2[nH]c2ccccc23)cc1
+CC(=O)c1ccc(-n2c3ccccc3c(=O)c3ccccc32)cc1
+CC(=O)c1ccc(-n2c3ccccc3c3ccc4[nH]c5ccccc5c4c32)cc1
+CC(=O)c1ccc(-n2c3ccccc3c3ccncc32)cc1
+CC(=O)c1ccc(-n2cnc3c4ccccc4c4ccccc4c32)cc1
+CC(=O)c1ccc(-n2nnc3ccccc32)cc1
+CC(=O)c1cccc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+CC(=O)c1cccc(-c2c(C)c(C)c(C)c3c4ccccc4n(C)c23)c1
+CC(=O)c1cccc(c1)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+CC(=O)c1cccc(c1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+CC(=O)c1cccc(-c2cc3ccccc3cc2N(C)C)c1
+CC(=O)c1cccc(-c2cc3ccccc3o2)c1
+CC(=O)c1cccc(c1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+CC(=O)c1cccc(c1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+CC(=O)c1cccc(c1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+CC(=O)c1cccc(c1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+CC(=O)c1cccc(-c2ccc3c(n2)sc2ccccc23)c1
+CC(=O)c1cccc(c1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+CC(=O)c1cccc(-c2ccc3c4ccccc4c4nc[nH]c4c3c2)c1
+CC(=O)c1cccc(-c2ccc3cc(N(C)C)ccc3c2)c1
+CC(=O)c1cccc(-c2ccc3occc3c2)c1
+CC(=O)c1cccc(-c2ccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c3c2)c1
+CC(=O)c1cccc(-c2ccc3[nH]c4[nH]c5ccccc5c4c3c2)c1
+CC(=O)c1cccc(c1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+CC(=O)c1cccc(c1)c1c2c([C@@H](C)c3c(cccc3)N2)ccc1
+CC(=O)c1cccc(c1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+CC(=O)c1cccc(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+CC(=O)c1cccc(-c2cccc3c2oc2ncccc23)c1
+CC(=O)c1cccc(-c2cccc3c2[nH]c2ccc4c5ccccc5[nH]c4c23)c1
+CC(=O)c1cccc(-c2cccc3c4ccccc4c4nc[nH]c4c23)c1
+CC(=O)c1cccc(-c2cccc3c4ccccc4c4[nH]cnc4c23)c1
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+CC(=O)c1cccc(-c2ccnc3sc4ncccc4c23)c1
+CC(=O)c1cccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1
+CC(=O)c1cccc(-c2coc3cc4ccoc4cc23)c1
+CC(=O)c1cccc(-c2c[nH]c3ccccc23)c1
+CC(=O)c1ccccc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
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+CC(=O)c1ccccc1-c1cc2cc3cc[nH]c3cc2o1
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+CC(=O)c1ccccc1-c1cccc2c1sc1ncccc12
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+CC(=O)c1ccccc1-c1cccc2[nH]c3[nH]c4ccccc4c3c12
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+CC(=O)c1ccccc1-c1cncc2c1[nH]c1ccccc12
+CC(=O)c1ccccc1-c1cncc2c1[nH]c1ccncc12
+CC(=O)c1ccccc1-n1c2ccccc2c2ccncc21
+CC(=O)c1ccccc1-n1c2ccccc2c2cnccc21
+CC(=O)c1ccccc1-n1nnc2ccccc21
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+N#Cc1c(c(C#N)cc(c1)C1(C)c2c(cccc2)Nc2c1cccc2)C#N
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+CC1(c2c(-c3c1cccc3)cccc2)c1ccc2c(Sc3c(cccc3)N2)c1
+O=C1c2c(C(=O)N1)ccc(c2)C1(C)c2c(cccc2)Nc2c1cccc2
+Cc1(-c2ccc3c4c2CCCN4CCC3)-c2ccccc2-c2ccccc2-1
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+Cc1(-c2cccc3c(=O)c4ccccc4[nH]c23)-c2ccccc2-c2ccccc2-1
+O=C1c2c(C(=O)N1)cccc2C1(C)c2c(cccc2)Nc2c1cccc2
+Cc1(-c2cccc3c2sc2ncccc23)-c2ccccc2-c2ccccc2-1
+Cc1(-c2cccc3c2[nH]c2ccc4c5ccccc5[nH]c4c23)-c2ccccc2-c2ccccc2-1
+Cc1(-c2cccc3c2[nH]c2cnccc23)-c2ccccc2-c2ccccc2-1
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+Cc1(-c2cccc3c4ccccc4c4nc[nH]c4c23)-c2ccccc2-c2ccccc2-1
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+Cc1(-c2cccc3oc4ncccc4c23)-c2ccccc2-c2ccccc2-1
+Cc1(-c2cccc3occc23)-c2ccccc2-c2ccccc2-1
+Cc1(-c2cccnn2)-c2ccccc2-c2ccccc2-1
+c1(c2ncc(nc2)C2(C)c3c(cccc3)Nc3c2cccc3)ccccc1
+n1c2c(ccc1)ccc1c2ncc(c1)C1(C)c2c(cccc2)Nc2c1cccc2
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+n1c2nc3nc(C4(C)c5c(cccc5)Nc5c4cccc5)[nH]c3nc2[nH]c1
+n1c2nc3oc(nc3nc2oc1)C1(C)c2c(cccc2)Nc2c1cccc2
+Cc1(-c2nccc3c2[nH]c2ccccc23)-c2ccccc2-c2ccccc2-1
+c12c(ccnc2C2(C)c3c(cccc3)Nc3c2cccc3)[nH]cc1
+n1ccsc1C1(C)c2c(cccc2)Nc2c1cccc2
+Cc1(-n2c3ccccc3c3cnccc32)-c2ccccc2-c2ccccc2-1
+O=C1c2c(C(=O)C(=C1)c1cc3c(cc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+O=c1c2c(cc(cc2)c2cc3c(cc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+O=C1c2c(C(=O)C=C1)ccc(c2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(cc(cc2)c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)[nH]c2c1ccnc2
+c12c(cc(cc2)c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)[nH]c2ncccc12
+c12c(cc(cc2)c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)cnc2c1cccc2
+n1c2c(oc1)cc(cc2)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(ccc(c2)c2cc3c(cc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]c2c1ccnc2
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(sc3c1cccc3c1cc3c(cc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c2c(oc1)c(ccc2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(nn[nH]2)cccc1c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(nn[nH]2)c(ccc1)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c1(c2ncccc2c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)ncccc1
+n1c2c(nccc2)c(cc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c2c(ncc(c2)c2cc3c(cc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccc1
+c12c(c(cnc2)c2cc3c(cc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+c12c(c(cnc2)c2cc3c(cc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)[nH]cc1
+c12c(cccc2)[nH]c2c1c(cnc2)c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1cc(sc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c(csc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+O=c1c2c(cccc2)[nH]cc1c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(ccnc2)[nH]cc1c1cc2c(cc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1cc2c(cc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(c3c(n1c1cc4c(cc1)Nc1c5c6c(n(c7ccccc7)c5ccc1C4(C)C)cccc6)ccnc3)cncc2
+O=C1C=CC(=O)N1c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+n1c2c(c(c3c(nc[nH]3)c2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]c1
+O=c1c2c(cc(cc2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]cc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(b3c4c(oc5c3c(o1)ccc5)ccc(c4)c1c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc1)cccc2
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(cc(cc2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)cnc2c1cccc2
+c12c(scc1)cc(cc2)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+O=c1c2c(ccc(c2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]cc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12-c3c(S(=O)(=O)c1cccc2)c(ccc3)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(c(ccc2)c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]c2ncccc12
+c12c(cccc2)cnc2c1c(ccc2)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(cccc2c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]c2c1ccnc2
+c12c(cccc2c2c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc2)[nH]c2ncccc12
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+n1occ(c1)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+c12c(n(c3c1ccnc3)c1c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc1)cccc2
+c12c(n(cc1)c1c3c(C(c4c(cc5c6c(n(c7ccccc7)c5c4)cccc6)N3)(C)C)ccc1)ccnc2
+n1c2nc3nc[nH]c3cc2n(c1)c1c2c(C(c3c(cc4c5c(n(c6ccccc6)c4c3)cccc5)N2)(C)C)ccc1
+O=C1C=C(C(=O)N1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)c(c2)c2c3c(ccc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)ccccc1
+c1(c2ncc(cc2)c2c3c(ccc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)ncccc1
+c1(c2nccnc2)ccc(cc1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(cc(cc2)c2c3c(ccc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)[nH]c2ncccc12
+n1c2c(ccc1)ccc1c2nc(cc1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12nccnc1ccc(c2)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12-c3c(S(=O)(=O)c1cccc2)c(ccc3)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(c(ccc2)c2c3c(ccc2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)cnc2c1cccc2
+c12c(sc3c1c(ccc3)c1c3c(ccc1)Nc1c(C3(C)C)cc3n(c4ccccc4)c4c(c3c1)cccc4)cccc2
+n1c2ncccc2c(cc1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c2c(ccc1)ccc1c2ncc(c1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
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+n1c(csc1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
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+c1(C#N)cnc(nc1)c1c2c(ccc1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+N#Cc1cccc(C#N)c1c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2c(c(c3c(nc[nH]3)c2)c2ccc3c(c2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)[nH]c1
+c12nc3c(oc(c3)c3ccc4c(c3)Nc3c5c6c(n(c7ccccc7)c5ccc3C4(C)C)cccc6)nc1[nH]cc2
+N#Cc1c(c(C#N)c(cc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3)C#N
+N#Cc1ccc(c(C#N)c1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)c1ccc3c(c1)Nc1c(C3(C)C)cc3n(c4ccccc4)c4c(c3c1)cccc4)cccc2
+c12c(cc(cc2)c2ccc3c(c2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)cnc2c1cccc2
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+n1c2nc(ccc2ccc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
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+c12c(cccc2)cnc2c1cc(cc2)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(nn[nH]2)ccc(c1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(nn[nH]2)cc(cc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+N#Cc1c(C#N)c(ccc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
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+O=C1c2c(C(=O)C=C1)cccc2c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(b3c4c(oc5c3c(o1)ccc5)c(ccc4)c1ccc3c(c1)Nc1c(C3(C)C)cc3n(c4ccccc4)c4c(c3c1)cccc4)cccc2
+c12c(nn[nH]2)c(ccc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+N#Cc1ccccc1c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(c2ncccc2c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ncccc1
+c1(c2nccc(c2)c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ncccc1
+n1c2c(ccc1)ccc1c2nccc1c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2c(nccc2)c(cc1)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(c2nc(cnc2)c2ccc3c(c2)Nc2c(C3(C)C)cc3n(c4ccccc4)c4c(c3c2)cccc4)ccccc1
+c12c(c(cnc2)c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+n1cc(sc1)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1cc(sc1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+c12c(cccc2)c(nc2c1cccc2)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1c2nc3nc(c4ccc5c(c4)Nc4c6c7c(n(c8ccccc8)c6ccc4C5(C)C)cccc7)[nH]c3cc2[nH]c1
+n1c2nc3nc(c4ccc5c(c4)Nc4c(C5(C)C)cc5n(c6ccccc6)c6c(c5c4)cccc6)[nH]c3nc2[nH]c1
+c12c(ccnc2c2ccc3c(c2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+n1ccsc1c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+n1cnoc1c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2nc3nc[nH]c3cc2n(c1)c1ccc2c(c1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2nc3nc[nH]c3cc2n(c1)c1ccc2c(c1)Nc1c(C2(C)C)cc2n(c3ccccc3)c3c(c2c1)cccc3
+O=C1c2c(C(=O)C(=C1)c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c2c(nc3c(nco3)c2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)oc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)c(c2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccccc1
+N#Cc1c(c(C#N)cc(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4)C#N
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccccc1
+c12c(b3c4c(oc5c3c(o1)cc(c5)c1c3c(ccc1)Nc1c5c6c(n(c7ccccc7)c5ccc1C3(C)C)cccc6)cccc4)cccc2
+c12c(cc(nc2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+N#Cc1ccc(cc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(cc(cc2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]c2ncccc12
+n1c2c(nc(cc2)c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccc1
+O=C(c1cccc(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4)C(F)(F)F
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+O=C1c2c(C(=O)N1)cccc2c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(sc3c1cccc3c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+c12c(scc1)c(ccc2)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(nn[nH]2)cccc1c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+O=c1c2c(cccc2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)[nH]cc1
+N#Cc1ccccc1c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12c(cccc2)[nH]c2nccc(c12)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1occ(c1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12nc3c(occ3c3c4c(ccc3)Nc3c5c6c(n(c7ccccc7)c5ccc3C4(C)C)cccc6)nc1[nH]cc2
+c12c(scc1c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c(csc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c12nc3c(occ3)nc1[nH]cc2c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+n1c2c(nc3c(nc(o3)c3c4c(ccc3)Nc3c5c6c(n(c7ccccc7)c5ccc3C4(C)C)cccc6)c2)oc1
+n1c2c(cc3c(nc(c4c5c(ccc4)Nc4c6c7c(n(c8ccccc8)c6ccc4C5(C)C)cccc7)[nH]3)c2)[nH]c1
+c1(C#N)cnc(nc1)c1c2c(ccc1)Nc1c3c4c(n(c5ccccc5)c3ccc1C2(C)C)cccc4
+c1(c2nccnc2c2c3c(ccc2)Nc2c4c5c(n(c6ccccc6)c4ccc2C3(C)C)cccc5)ccccc1
+c12c(n(c3ncccc13)c1c3c(ccc1)Nc1c4c5c(n(c6ccccc6)c4ccc1C3(C)C)cccc5)cccc2
+n1c2c(cc3c(nc[nH]3)c2c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)[nH]c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)c(c3)c3c4c(C(c5c(c6c7c(n(c8ccccc8)c6cc5)cccc7)N4)(C)C)ccc3)cc2)ccccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)c(c2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)ccccc1
+O=c1c2c(cccc2)[nH]c(c1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+N#Cc1c(c(C#N)c(cc1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1)C#N
+N#Cc1ccc(cc1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(scc1)cc(cc2)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(nn[nH]2)ccc(c1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(sc3c1cc(cc3)c1c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc1)cccc2
+O=c1c2c(ccc(c2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)[nH]cc1
+c12c(cccc2c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)cnc2c1cccc2
+c12c(nn[nH]2)cccc1c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(sc3c1c(ccc3)c1c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc1)cccc2
+c1(c2nccnc2)ccccc1c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c1(c2nccc(c2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)ncccc1
+c1(c2nc(cnc2)c2c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc2)ccccc1
+c12c(c3c(c(cnc3)c3c4c(C(c5c(c6c7c(n(c8ccccc8)c6cc5)cccc7)N4)(C)C)ccc3)[nH]2)cncc1
+c12nc3c(occ3c3c4c(C(c5c(c6c7c(n(c8ccccc8)c6cc5)cccc7)N4)(C)C)ccc3)nc1[nH]cc2
+n1c2nc3oc(nc3nc2oc1)c1c2c(C(c3c(c4c5c(n(c6ccccc6)c4cc3)cccc5)N2)(C)C)ccc1
+c12c(n(cc1)c1c3c(C(c4c(c5c6c(n(c7ccccc7)c5cc4)cccc6)N3)(C)C)ccc1)ccnc2
+CC1(c2c(-c3c1cccc3)cccc2)N1c2c(C(C)(c3c1cccc3)C)cccc2
+O=C1c2c(C(=O)C(=C1)N1c3c(C(c4c1cccc4)(C)C)cc1n(c4ccccc4)c4c(c1c3)cccc4)cccc2
+O=C1c2c(C(=O)C(=C1)N1c3c(C(C)(c4c1cccc4)C)cccc3)cccc2
+O=C1c2c(C(=O)N1N1c3c4c5c(n(c6ccccc6)c4ccc3C(c3c1cccc3)(C)C)cccc5)cccc2
+O=C1C=CC(=O)N1N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+O=C1C=CC(=O)N1N1c2c(C(C)(c3c1cccc3)C)cccc2
+n1c2c(nc3c(nco3)c2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)oc1
+n1c2c(cc3c(nc[nH]3)c2N2c3c(C(C)(c4c2cccc4)C)cccc3)[nH]c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)ccccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)c(c2)N2c3c(C(C)(c4c2cccc4)C)cccc3)ccccc1
+c12c(b3c4c(oc5c3c(o1)cc(c5)N1c3c(C(c5c1cccc5)(C)C)cc1n(c5ccccc5)c5c(c1c3)cccc5)cccc4)cccc2
+n1c2c(ccc1)cc(c1c2nccc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2nccnc2)ccc(cc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+N#Cc1c(C#N)cc(cc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+N#Cc1c(c(C#N)c(cc1)N1c2c(C(C)(c3c1cccc3)C)cccc2)C#N
+N#Cc1ccc(cc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+O=c1c2c(cc(cc2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]cc1
+c12c(cccc2)cnc2c1ccc(c2)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c12c(cccc2)cnc2c1ccc(c2)N1c2c(C(C)(c3c1cccc3)C)cccc2
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)N1c3c(C(C)(c4c1cccc4)C)cccc3)cccc2
+c12c(sc3c1ccc(c3)N1c3c(C(c4c1cccc4)(C)C)cc1n(c4ccccc4)c4c(c1c3)cccc4)cccc2
+c12c(sc3c1ccc(c3)N1c3c(C(C)(c4c1cccc4)C)cccc3)cccc2
+c12c(cc(cc2)N2c3c(C(C)(c4c2cccc4)C)cccc3)cnc2c1cccc2
+c12c(cccc2)[nH]c2nc(ccc12)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(cccc2)[nH]c2nc(ccc12)N1c2c(C(C)(c3c1cccc3)C)cccc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)N1c3c5c6c(n(c7ccccc7)c5ccc3C(c3c1cccc3)(C)C)cccc6)cccc4)cccc2
+n1c2c(ccc1)ccc1c2nc(cc1)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(scc1)cc(cc2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(scc1)cc(cc2)N1c2c(C(C)(c3c1cccc3)C)cccc2
+c12nccnc1ccc(c2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(nn[nH]2)ccc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c12c(sc3c1cc(cc3)N1c3c4c5c(n(c6ccccc6)c4ccc3C(c3c1cccc3)(C)C)cccc5)cccc2
+c12c(ccc(c2)N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)[nH]c2c1ccnc2
+c12c(ccc(c2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]c2ncccc12
+c1(c2ncccc2)nc(ccc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2ncccc2)nc(ccc1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+N#Cc1cccc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+O=c1c2c(c(ccc2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]cc1
+c12c(c(ccc2)N2c3c(C(C)(c4c2cccc4)C)cccc3)cnc2c1cccc2
+c12c(cccc2N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)cnc2c1cccc2
+c12nccnc1c(ccc2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(scc1)cccc2N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c12c(cccc2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)[nH]c2c1ccnc2
+c12c(cccc2N2c3c(C(C)(c4c2cccc4)C)cccc3)[nH]c2c1ccnc2
+c12c(cccc2N2c3c(C(c4c2cccc4)(C)C)cc2n(c4ccccc4)c4c(c2c3)cccc4)[nH]c2ncccc12
+c12c(cccc2N2c3c(C(C)(c4c2cccc4)C)cccc3)[nH]c2ncccc12
+O=c1c2c(cccc2N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)[nH]cc1
+c12c(nn[nH]2)c(ccc1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2nccnc2)ccccc1N1c2c(C(C)(c3c1cccc3)C)cccc2
+N#Cc1ccccc1N1c2c(C(C)(c3c1cccc3)C)cccc2
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+c1(c2ncccc2N2c3c(C(C)(c4c2cccc4)C)cccc3)ncccc1
+c1(c2nccc(c2)N2c3c(C(C)(c4c2cccc4)C)cccc3)ncccc1
+n1occc1N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+n1c2c(ccc1)ccc1c2ncc(c1)N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+n1c2c(ccc1)ccc1c2ncc(c1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+n1c2ncc(cc2ccc1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+n1c2ncc(nc2ncc1)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c1(c2nc(cnc2)N2c3c4c5c(n(c6ccccc6)c4ccc3C(c3c2cccc3)(C)C)cccc5)ccccc1
+n1c(csc1)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+c12c(cccc2)[nH]c2c1ccnc2N1c2c(C(c3c1cccc3)(C)C)cc1n(c3ccccc3)c3c(c1c2)cccc3
+n1cnoc1N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+O=c1c2c(n(cc1)N1c3c4c5c(n(c6ccccc6)c4ccc3C(c3c1cccc3)(C)C)cccc5)cccc2
+c12nc3c(occ3)nc1n(cc2)N1c2c3c4c(n(c5ccccc5)c3ccc2C(c2c1cccc2)(C)C)cccc4
+n1c2nc3nc[nH]c3nc2n(c1)N1c2c(C(C)(c3c1cccc3)C)cccc2
+Fc1c(c(c(c(F)c1c1c2c(C(C)(c3c(cccc3)N2)C)ccc1)F)F)F
+n1c2c(nc3c(nco3)c2c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)oc1
+n1c2c(cc3c(nc[nH]3)c2c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)[nH]c1
+N#Cc1cc(cc(C#N)c1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)c(c2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)ccccc1
+c12c(occ1)cc1c(oc(c1)c1c3c(C(C)(c4c(cccc4)N3)C)ccc1)c2
+c12c(ccnc2)[nH]c(c1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(c3c(cc(nc3)c3c4c(C(C)(c5c(cccc5)N4)C)ccc3)[nH]2)cncc1
+c1(c2ncc(cc2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)ncccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(cc(cc2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)[nH]c2ncccc12
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3c(C(C)(c5c(cccc5)N3)C)ccc1)cccc4)cccc2
+c12c(scc1)ccc(c2)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(ccc(c2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)[nH]c2ncccc12
+c12c(sc3c1c(ccc3)c1c3c(C(C)(c4c(cccc4)N3)C)ccc1)cccc2
+n1c2c(nccc2)c(cc1)c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c1(c2ncc(nc2)c2c3c(C(C)(c4c(cccc4)N3)C)ccc2)ccccc1
+n1ccsc1c1c2c(C(C)(c3c(cccc3)N2)C)ccc1
+c12c(n(c3ncccc13)c1c3c(C(C)(c4c(cccc4)N3)C)ccc1)cccc2
+n1c2c(cc3c(nc[nH]3)c2c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)[nH]c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3c4c(c5c6c(n(c7ccccc7)c5c3)cccc6)Nc3c(C4(C)C)cccc3)cc2)ccccc1
+c12c(occ1)cc1c(oc(c1)c1c3c(c4c5c(n(c6ccccc6)c4c1)cccc5)Nc1c(C3(C)C)cccc1)c2
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+N#Cc1ccc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(cc(cc2)c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)cnc2c1cccc2
+n1c2c(nc(cc2)c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)ccc1
+c12c(scc1)ccc(c2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(nn[nH]2)cc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(b3c4c(oc5c3c(o1)ccc5)c(ccc4)c1c3c(c4c5c(n(c6ccccc6)c4c1)cccc5)Nc1c(C3(C)C)cccc1)cccc2
+O=c1c2c(cccc2c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)[nH]cc1
+c1(c2nccc(c2)c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)ncccc1
+n1c2c(nccc2)c(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1oc(cc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12ncc(nc1cccc2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1c2ncc(cc2ccc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c12c(cccc2)[nH]c2c1c(cnc2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1c(csc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+n1c2nc3oc(nc3nc2oc1)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+c1(c2nccnc2c2c3c(c4c5c(n(c6ccccc6)c4c2)cccc5)Nc2c(C3(C)C)cccc2)ccccc1
+n1ccsc1c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+O=c1c2c(n(cc1)c1c3c(c4c5c(n(c6ccccc6)c4c1)cccc5)Nc1c(C3(C)C)cccc1)cccc2
+c12nc3c(occ3)nc1n(cc2)c1c2c(c3c4c(n(c5ccccc5)c3c1)cccc4)Nc1c(C2(C)C)cccc1
+N#Cc1cc(C#N)cc(C#N)c1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+Fc1c(c(c(c(F)c1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3)F)F)F
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)ccccc1
+c1(c2ncc(cc2)c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)ncccc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3n(c5ccccc5)c5c(c3c3c(C(c6c(cccc6)N3)(C)C)c1)cccc5)cccc4)cccc2
+c12c(ccc(c2)c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)[nH]c2ncccc12
+O=c1c2c(ccc(c2)c2c3n(c4ccccc4)c4c(c3c3c(C(c5c(cccc5)N3)(C)C)c2)cccc4)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c12c(nn[nH]2)cccc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccccc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+n1c2ncccc2c(cc1)c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+c12c(ccnc2)[nH]cc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+n1ccsc1c1c2n(c3ccccc3)c3c(c2c2c(C(c4c(cccc4)N2)(C)C)c1)cccc3
+CC1(c2c(-c3c1cccc3)cccc2)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+O=C1c2c(C(=O)N1c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)cccc2
+O=c1c2c(cc(cc2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)[nH]cc1
+c12c(b3c4c(oc5c3c(o1)ccc5)ccc(c4)c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)cccc2
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+O=C1c2c(C(=O)N1)cccc2c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+c12c(c(ccc2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)cnc2c1cccc2
+c12c(scc1)c(ccc2)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+c12c(cccc2)cnc2c1c(ccc2)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+n1c2c(oc1)cccc2c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+c12c(sc3c1c(ccc3)c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)cccc2
+c12c(nn[nH]2)c(ccc1)c1c2c3c(n(c4ccccc4)c2cc2c1Nc1c(C2(C)C)cccc1)cccc3
+n1c2c(ncc(c2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)ccc1
+c1(c2nc(cnc2)c2c3c4c(n(c5ccccc5)c3cc3c2Nc2c(C3(C)C)cccc2)cccc4)ccccc1
+c12c(occ1)cc1c(occ1c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)c2
+c12c(n(cc1)c1c3c4c(n(c5ccccc5)c3cc3c1Nc1c(C3(C)C)cccc1)cccc4)ccnc2
+CC1(c2c(-c3c1cccc3)cccc2)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+O=C1C=CC(=O)N1c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(cc3c(nc[nH]3)c2c2c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc2)[nH]c1
+N#Cc1c(c(C#N)c(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1)C#N
+c12c(cccc2)cnc2c1ccc(c2)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3c(n(c5ccccc5)c5c3c3c(C(c6c(cccc6)N3)(C)C)cc5)ccc1)cccc4)cccc2
+n1c2c(nc(cc2)c2c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc2)ccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(oc1)cccc2c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(scc1)cccc2c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(nccc2)c(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1oc(cc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(ccc1)ccc1c2ncc(c1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1c2c(ncc(c2)c2c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc2)ccc1
+n1c2ncc(cc2ccc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+n1cc(sc1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(occ1)cc1c(occ1c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)c2
+n1c2c(nc3c(nc(o3)c3c4c(n(c5ccccc5)c5c4c4c(C(c6c(cccc6)N4)(C)C)cc5)ccc3)c2)oc1
+c12c(n(c3c1ccnc3)c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)cccc2
+n1c2c(n(c1)c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)cc1c(nc[nH]1)c2
+n1c2nc3nc[nH]c3nc2n(c1)c1c2c(n(c3ccccc3)c3c2c2c(C(c4c(cccc4)N2)(C)C)cc3)ccc1
+c12c(nnn1c1c3c(n(c4ccccc4)c4c3c3c(C(c5c(cccc5)N3)(C)C)cc4)ccc1)cccc2
+Fc1c(c(c(c(F)c1c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3)F)F)F
+c12c(cccc2)[nH]c2c1cc(nc2)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(occ1)cc1c(oc(c1)c1ccc3n(c4ccccc4)c4c(c3c1)c1c(C(c3c(cccc3)N1)(C)C)cc4)c2
+c12nc3c(oc(c3)c3ccc4n(c5ccccc5)c5c(c4c3)c3c(C(c4c(cccc4)N3)(C)C)cc5)nc1[nH]cc2
+c12c(cc(nc2)c2ccc3n(c4ccccc4)c4c(c3c2)c2c(C(c3c(cccc3)N2)(C)C)cc4)[nH]cc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+N#Cc1ccc(c(C#N)c1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(ccc(c2)c2ccc3n(c4ccccc4)c4c(c3c2)c2c(C(c3c(cccc3)N2)(C)C)cc4)cnc2c1cccc2
+c1(c2ncccc2)nc(ccc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(c(ccc2)c2ccc3n(c4ccccc4)c4c(c3c2)c2c(C(c3c(cccc3)N2)(C)C)cc4)[nH]c2ncccc12
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1oc(cc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2ncc(nc2ncc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12nc3c(occ3)nc1[nH]cc2c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(cc3c(nc(c4ccc5n(c6ccccc6)c6c(c5c4)c4c(C(c5c(cccc5)N4)(C)C)cc6)[nH]3)c2)[nH]c1
+n1c2nc3oc(nc3nc2oc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(n(c3c1ccnc3)c1ccc3n(c4ccccc4)c4c(c3c1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c2nc3nc[nH]c3nc2n(c1)c1ccc2n(c3ccccc3)c3c(c2c1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2ncc(cc2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ncccc1
+N#Cc1ccc(c(C#N)c1)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(b3c4c(oc5c3c(o1)ccc5)ccc(c4)c1cc3n(c4ccccc4)c4c(c3cc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+O=C1c2c(C(=O)C=C1)ccc(c2)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)c1cc3n(c4ccccc4)c4c(c3cc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c2c(nc(cc2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ccc1
+O=C1c2c(C(=O)N1)cccc2c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(scc1)cccc2c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2nccc(c2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ncccc1
+n1c2c(ccc1)ccc1c2nccc1c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2ncc(nc2)c2cc3n(c4ccccc4)c4c(c3cc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ccccc1
+c12nc3c(occ3)nc1n(cc2)c1cc2n(c3ccccc3)c3c(c2cc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+O=C1c2c(C(=O)N1c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+N#Cc1cc(C#N)cc(C#N)c1c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+Fc1c(c(c(c(F)c1c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3)F)F)F
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)c(c2)c2c3n(c4ccccc4)c4c(c3ccc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ccccc1
+c12c(c3c(cc(nc3)c3c4n(c5ccccc5)c5c(c4ccc3)c3c(C(c4c(cccc4)N3)(C)C)cc5)[nH]2)cncc1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(ccc1)ccc1c2nc(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(oc1)cc(cc2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+n1c2c(oc1)ccc(c2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(scc1)ccc(c2)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+O=c1c2c(ccc(c2)c2c3n(c4ccccc4)c4c(c3ccc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+c12c(b3c4c(oc5c3c(o1)ccc5)cccc4c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+O=C(c1ccccc1c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3)C(F)(F)F
+c1(c2nccc(c2)c2c3n(c4ccccc4)c4c(c3ccc2)c2c(C(c3c(cccc3)N2)(C)C)cc4)ncccc1
+n1c2c(nc3c(nc(o3)c3c4n(c5ccccc5)c5c(c4ccc3)c3c(C(c4c(cccc4)N3)(C)C)cc5)c2)oc1
+n1c2c(oc1c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c(noc1)c1c2n(c3ccccc3)c3c(c2ccc1)c1c(C(c2c(cccc2)N1)(C)C)cc3
+O=c1c2c(n(cc1)c1c3n(c4ccccc4)c4c(c3ccc1)c1c(C(c3c(cccc3)N1)(C)C)cc4)cccc2
+n1c2nc3nc[nH]c3c(c2[nH]c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+N#Cc1c(c(C#N)cc(c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1)C#N
+c12c(b3c4c(oc5c3c(o1)cc(c5)c1ccc(n3c5c(c6c3ccc3c6Nc6c(C3(C)C)cccc6)cccc5)cc1)cccc4)cccc2
+c12nc3c(oc(c3)c3ccc(n4c5c(c6c4ccc4c6Nc6c(C4(C)C)cccc6)cccc5)cc3)nc1[nH]cc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1ccc(n3c5c(c6c3ccc3c6Nc6c(C3(C)C)cccc6)cccc5)cc1)cccc4)cccc2
+c12c(ccc(c2)c2ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc2)cnc2c1cccc2
+c1(c2nccnc2)cccc(c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12-c3c(S(=O)(=O)c1cccc2)cccc3c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(c(ccc2)c2ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c2ncccc12
+N#Cc1ccccc1c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)[nH]c2nccc(c12)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+n1occ(c1)c1ccc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(n(c3c1ccnc3)c1ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc1)cccc2
+c12c(n(cc1)c1ccc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cc1)ccnc2
+N#Cc1cc(C#N)cc(C#N)c1c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+N#Cc1cc(cc(C#N)c1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cc(cc2)c2cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc2)cnc2c1cccc2
+n1c2c(ccc1)ccc1c2nc(cc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(sc3c1cc(cc3)c1cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc1)cccc2
+N#Cc1c(C#N)c(ccc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(c(ccc2)c2cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc2)[nH]c2ncccc12
+n1c2c(oc1)c(ccc2)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(c2nccc(c2)c2cc(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)ccc2)ncccc1
+c12ncc(nc1cccc2)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c2ncc(nc2ncc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cccc2)[nH]c2ncc(cc12)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(ccnc2)[nH]cc1c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1cc(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)ccc1
+N#Cc1cccc(C#N)c1c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+N#Cc1c(c(C#N)cc(c1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1)C#N
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3c(n4c5c(c6c4ccc4c6Nc6c(C4(C)C)cccc6)cccc5)cccc3)cc2)ccccc1
+c12c(c3c(cc(nc3)c3c(n4c5c(c6c4ccc4c6Nc6c(C4(C)C)cccc6)cccc5)cccc3)[nH]2)cncc1
+N#Cc1ccc(cc1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12-c3c(S(=O)(=O)c1cccc2)cc(cc3)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(cc(cc2)c2c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc2)[nH]c2c1ccnc2
+O=C(c1cccc(c1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1)C(F)(F)F
+c12c(b3c4c(oc5c3c(o1)ccc5)c(ccc4)c1c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc1)cccc2
+c1(c2nccc(c2)c2c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc2)ncccc1
+c12ncc(nc1cccc2)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(c(cnc2)c2c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc2)[nH]cc1
+n1ccsc1c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(n(c3ncccc13)c1c(n3c4c(c5c3ccc3c5Nc5c(C3(C)C)cccc5)cccc4)cccc1)cccc2
+n1c2nc3nc[nH]c3nc2n(c1)c1c(n2c3c(c4c2ccc2c4Nc4c(C2(C)C)cccc4)cccc3)cccc1
+O=C1c2c(C(=O)N1c1cc3c(C(C)(c4c(cccc4)N3)C)cc1)cccc2
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c12c(b3c4c(oc5c3c(o1)ccc5)cc(cc4)c1cc3c(C(C)(c4c(cccc4)N3)C)cc1)cccc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1cc3c(C(C)(c5c(cccc5)N3)C)cc1)cccc4)cccc2
+n1c2c(oc1)cc(cc2)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c12c(ccc(c2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)[nH]c2c1ccnc2
+O=c1c2c(ccc(c2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c1(c2nccnc2)cccc(c1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+N#Cc1cccc(c1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+O=c1c2c(c(ccc2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)[nH]cc1
+O=C1c2c(C(=O)C=C1)cccc2c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+N#Cc1ccccc1c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+c1(c2ncccc2c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)ncccc1
+n1occc1c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+n1c2c(ncc(c2)c2cc3c(C(C)(c4c(cccc4)N3)C)cc2)ccc1
+n1occ(c1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+n1c(csc1)c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+O=c1c2c(cccc2)[nH]cc1c1cc2c(C(C)(c3c(cccc3)N2)C)cc1
+O=c1c2c(cccc2)[nH]c(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c12c(b3c4c(oc5c3c(o1)cc(c5)c1c3c(n(c5ccccc5)c5c3cc3c(C(c6c(cccc6)N3)(C)C)c5)ccc1)cccc4)cccc2
+c12c(occ1)cc1c(oc(c1)c1c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc1)c2
+c12c(cc(nc2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)[nH]cc1
+N#Cc1ccc(c(C#N)c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c12c(cc(cc2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)cnc2c1cccc2
+c12c(b3c4c(oc5c3c(o1)c(cc5)c1c3c(n(c5ccccc5)c5c3cc3c(C(c6c(cccc6)N3)(C)C)c5)ccc1)cccc4)cccc2
+O=c1c2c(ccc(c2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)[nH]cc1
+c1(c2ncccc2)nc(ccc1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+N#Cc1cccc(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c12c(c(ccc2)c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)[nH]c2c1ccnc2
+n1c2c(oc1)c(ccc2)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+c1(c2ncccc2c2c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc2)ncccc1
+c12c(cccc2)[nH]c2nccc(c12)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+n1occc1c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+n1occ(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+O=c1c2c(cccc2)[nH]cc1c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+n1c2nc3nc(c4c5c(n(c6ccccc6)c6c5cc5c(C(c7c(cccc7)N5)(C)C)c6)ccc4)[nH]c3cc2[nH]c1
+c12c(n(c3ncccc13)c1c3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)ccc1)cccc2
+n1c2nc3nc[nH]c3cc2n(c1)c1c2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)ccc1
+O=C1c2c(C(=O)C(=C1)c1cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc1)cccc2
+O=C1c2c(C(=O)N1c1cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc1)cccc2
+O=C1C=CC(=O)N1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)c(c3)c3cc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)cc3)cc2)ccccc1
+O=c1c2c(cccc2)[nH]c(c1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(cccc2)[nH]c2c1cc(nc2)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12nc3c(occ3)nc1[nH]c(c2)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+N#Cc1c(C#N)cc(cc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+N#Cc1ccc(cc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(cccc2)[nH]c2nc(ccc12)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2c(nc(cc2)c2cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc2)ccc1
+c12c(nn[nH]2)ccc(c1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+O=C1c2c(C(=O)C=C1)cccc2c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(cccc2)cnc2c1cccc2c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(nn[nH]2)cccc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(scc1)cccc2c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+O=C(c1ccccc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1)C(F)(F)F
+c12ncc(nc1cccc2)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2ncc(cc2ccc1)c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12nc3c(occ3c3cc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)cc3)nc1[nH]cc2
+O=c1c2c(cccc2)[nH]cc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+c12c(ccnc2)[nH]cc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2c(nc3c(nc(o3)c3cc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)cc3)c2)oc1
+n1ccsc1c1cc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)cc1
+n1c2c(n(c1)c1cc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)cc1)cc1c(nc[nH]1)c2
+n1c2c(nc3c(nco3)c2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)oc1
+n1c2nc3nc[nH]c3c(c2[nH]c1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3ccc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)c3)cc2)ccccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)ccccc1
+c12c(occ1)cc1c(oc(c1)c1ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c1)c2
+n1c2c(ccc1)cc(c1c2nccc1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c1(c2nccnc2)cccc(c1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+O=C1c2c(C(=O)C=C1)cccc2c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(c(ccc2)c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)[nH]c2ncccc12
+c12c(nn[nH]2)cccc1c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(cccc2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)[nH]c2c1ccnc2
+c12c(cccc2c2ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c2)[nH]c2ncccc12
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccccc1c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(ccnc2)[nH]cc1c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+n1c2c(nc3c(nc(o3)c3ccc4c(n(c5ccccc5)c5c4cc4c(C(c6c(cccc6)N4)(C)C)c5)c3)c2)oc1
+n1c2nc3oc(nc3nc2oc1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+n1c(noc1)c1ccc2c(n(c3ccccc3)c3c2cc2c(C(c4c(cccc4)N2)(C)C)c3)c1
+c12c(n(cc1)c1ccc3c(n(c4ccccc4)c4c3cc3c(C(c5c(cccc5)N3)(C)C)c4)c1)ccnc2
+Fc1c(c(c(c(F)c1c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3)F)F)F
+N#Cc1c(c(C#N)cc(c1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3)C#N
+c12c(ccnc2)[nH]c(c1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+c12c(c3c(cc(nc3)c3c4n(c5ccccc5)c5c(c4ccc3)cc3c(C(c4c(cccc4)N3)(C)C)c5)[nH]2)cncc1
+c12c(cccc2)[nH]c2nc(ccc12)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(ccc1)ccc1c2nc(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(oc1)cc(cc2)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+O=c1c2c(ccc(c2)c2c3n(c4ccccc4)c4c(c3ccc2)cc2c(C(c3c(cccc3)N2)(C)C)c4)[nH]cc1
+c12c(cccc2)cnc2c1c(ccc2)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(oc1)c(ccc2)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2ncccc2c(cc1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2c(nc3c(nc(o3)c3c4n(c5ccccc5)c5c(c4ccc3)cc3c(C(c4c(cccc4)N3)(C)C)c5)c2)oc1
+c1(C#N)cnc(nc1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+n1c2nc3nc[nH]c3nc2n(c1)c1c2n(c3ccccc3)c3c(c2ccc1)cc1c(C(c2c(cccc2)N1)(C)C)c3
+N#Cc1cc(C#N)cc(C#N)c1c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+Fc1c(c(c(c(F)c1c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1)F)F)F
+n1c2c(cc3c(nc[nH]3)c2c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c1
+n1c2c(c(c3c(nc[nH]3)c2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c1
+c12c(occ1)cc1c(oc(c1)c1ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc1)c2
+c12c(sc(c1)c1ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc1)cccc2
+O=c1c2c(cc(cc2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]cc1
+c12c(cc(cc2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c2ncccc12
+c12c(cc(cc2)c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)cnc2c1cccc2
+n1c2c(ccc1)ccc1c2nc(cc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)cnc2c1cc(cc2)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c1(c2ncccc2)nc(ccc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)cnc2c1cccc2c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(scc1)c(ccc2)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2c2ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc2)[nH]c2ncccc12
+n1c2c(nccc2)c(cc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(cccc2)[nH]c2nccc(c12)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c12c(occ1)cc1c(occ1c1ccc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cc1)c2
+c12c(c3c(ccnc3)[nH]2)c(ncc1)c1ccc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3c3cc(n4c5c(c6c4cc4c(c6)Nc6c(C4(C)C)cccc6)cccc5)ccc3)cc2)ccccc1
+n1c2c(ccc1)cc(c1c2nccc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+N#Cc1ccc(cc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=C1c2c(C(=O)N1)ccc(c2)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c2c(ccc1)ccc1c2nc(cc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(ccc(c2)c2cc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)ccc2)cnc2c1cccc2
+c1(c2ncccc2)nc(ccc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)cccc(c1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=C(c1cccc(c1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1)C(F)(F)F
+c12-c3c(S(=O)(=O)c1cccc2)c(ccc3)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(b3c4c(oc5c3c(o1)ccc5)cccc4c1cc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)ccc1)cccc2
+n1c2c(ccc1)ccc1c2nccc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c2ncccc2c(cc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cccc2)[nH]c2c1c(cnc2)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=c1c2c(cccc2)[nH]cc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c12c(cccc2)[nH]c2c1ccnc2c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+c1(C#N)cncnc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1cnoc1c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+n1c(noc1)c1cc(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)ccc1
+O=c1c2c(n(cc1)c1cc(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)ccc1)cccc2
+O=C1c2c(C(=O)N1c1c3n(c4ccccc4)c4c(c3cc3c1C(c1c(cccc1)N3)(C)C)cccc4)cccc2
+c12c(occ1)c(c1c(occ1)c2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+O=c1c2c(cccc2)[nH]c(c1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)c(c2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+c12c(cc(nc2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)[nH]cc1
+N#Cc1c(c(C#N)c(cc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3)C#N
+c12-c3c(S(=O)(=O)c1cccc2)ccc(c3)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+O=C1c2c(C(=O)N1)ccc(c2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1c2c(ccc1)ccc1c2nc(cc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1c2nc(ccc2ccc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(cccc2)cnc2c1cc(cc2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1c2c(oc1)ccc(c2)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(ccc(c2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)[nH]c2c1ccnc2
+O=C1c2c(C(=O)N1)cccc2c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+N#Cc1ccccc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(cccc2)[nH]c2nccc(c12)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c1(c2ncc(nc2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+n1c2ncc(cc2ccc1)c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c1(c2nc(cnc2)c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)ccccc1
+O=c1c2c(cccc2)[nH]cc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(ccnc2c2c3n(c4ccccc4)c4c(c3cc3c2C(c2c(cccc2)N3)(C)C)cccc4)[nH]cc1
+n1ccsc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+n1cnoc1c1c2n(c3ccccc3)c3c(c2cc2c1C(c1c(cccc1)N2)(C)C)cccc3
+c12c(n(c3c1ccnc3)c1c3n(c4ccccc4)c4c(c3cc3c1C(c1c(cccc1)N3)(C)C)cccc4)cccc2
+O=C1c2c(C(=O)N1c1c(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cccc1)cccc2
+c12c(occ1)c(c1c(occ1)c2)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2c2c(n3c4c(c5c3cc3c(c5)Nc5c(C3(C)C)cccc5)cccc4)cccc2)ccccc1
+c12nc3c(oc(c3)c3c(n4c5c(c6c4cc4c(c6)Nc6c(C4(C)C)cccc6)cccc5)cccc3)nc1[nH]cc2
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccc(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+N#Cc1ccc(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+n1c2c(ccc1)ccc1c2nc(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(cccc2)cnc2c1c(ccc2)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c1(c2nc(nc(n2)c2ccc(F)cc2)c2ccc(F)cc2)ccccc1c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+O=C(c1ccccc1c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1)C(F)(F)F
+n1c2ncccc2c(cc1)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
+c12c(cccc2)[nH]c2nccc(c12)c1c(n2c3c(c4c2cc2c(c4)Nc4c(C2(C)C)cccc4)cccc3)cccc1
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+Cc1cc2c(c(C)c1C)c1cc(-c3ccc4c(c3)-c(C)-c3ccccc3-4)ccc1n2C
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+Cc1cc2c(c(C)c1C)c1cc(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3O5)ccc1n2C
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+O=C1C=CC(=O)N1c1ccc2c3c(n(c2c1)C)cc(C)c(c3C)C
+Cc1cc2c(c(C)c1C)c1ccc(-c3c(C#N)cc(C#N)cc3C#N)cc1n2C
+Cc1cc2c(c(C)c1C)c1ccc(-c3c4nc[nH]c4cc4[nH]cnc34)cc1n2C
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+Cc1cc2c(c(C)c1C)c1cccc(-c3cccc4c3Oc3cccc5c3B4c3ccccc3O5)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cccc4[nH]ccc(=O)c34)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ccccc3C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cccnc3-c3ccccn3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cnc4cccnc4c3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cncc4c3[nH]c3ccncc34)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3cscn3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3ncc(C#N)cn3)c1n2C
+Cc1cc2c(c(C)c1C)c1cccc(-c3nccc4[nH]ccc34)c1n2C
+Cc1cccc2c1[nH]c1c(C)c(-c3c(C#N)cccc3C#N)ccc12
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+Cc1cccc2c1[nH]c1c(C)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)ccc3F)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cc(C#N)c(C#N)c(C#N)c3)ccc12
+Cc1cccc2c1[nH]c1c(C)c(-c3cc4cccnc4c4ncccc34)ccc12
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+Cc1cccc2c1[nH]c1c(C)c(-c3ccc(C#N)c(C#N)c3)ccc12
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+Cc1cccc2c1[nH]c1c(C)cc(-c3(C)-c4ccccc4-c4ccccc4-3)cc12
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+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c3c(c(C)ccc3)[nH]c2c(C)c1
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3O5)cc12
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccc4c(c3)[nH]c3ncccc34)cc12
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+Cc1cccc2c1[nH]c1c(C)cc(-c3cccc(-c4ccccn4)n3)cc12
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+Cc1cccc2c1[nH]c1c(C)cc(-c3cnc(-c4ccccc4)cn3)cc12
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+Cc1cccc2c1[nH]c1c(C)cc(-c3csc4ccccc34)cc12
+O=C1c2c(C(=O)N1c1c3c4c(c(C)ccc4)[nH]c3c(C)cc1)cccc2
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+Cc1cccc2c1[nH]c1c(C)ccc(-c3cc(C#N)c(C#N)c(C#N)c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cc(C(=O)c4ccccc4)ccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cc4[nH]ccc4cn3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(-c4cnccn4)cc3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(C#N)c(C#N)c3C#N)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(C(=O)C(F)(F)F)cc3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc4c(=O)cc[nH]c4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc4cnc5ccccc5c4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccc4[nH]nnc4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cccc4c3-c(C)-c3ccccc3-4)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cccc4[nH]c5ncccc5c34)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3ccnc4cccnc34)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cnc4c(ccc5cccnc54)c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cnc4cccnc4c3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cncs3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3cscn3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-c3nc4cc5nc[nH]c5cc4[nH]3)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-n3cnc4cc5nc[nH]c5cc43)c12
+Cc1cccc2c1[nH]c1c(C)ccc(-n3cnc4nc5nc[nH]c5cc43)c12
+O=C1C=C(C(=O)N1)n1c2c(c3c1c(C)ccc3)cccc2C
+Cc1cccc2c3cccc(C)c3n(-c3c4ncoc4nc4ocnc34)c12
+Cc1cccc2c3cccc(C)c3n(-c3c4[nH]cnc4cc4nc[nH]c34)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)ccc3F)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc(=O)c4ccccc4[nH]3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc4nc5cc[nH]c5nc4o3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cc4[nH]ccc4cn3)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)-c(C)-c3ccccc3-4)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4c(c3)-c3ccccc3-c-4C)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4c(n3)[nH]c3ccccc34)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4ncc5ccccc5c4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4[nH]c5ncccc5c4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cccc4c3-c3ccccc3-s-4(=O)=O)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccccc3C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)c12
+Cc1cccc2c3cccc(C)c3n(-c3ccno3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cnc4ccccc4n3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cnc4cccnc4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cnc4[nH]c5ccccc5c4c3)c12
+Cc1cccc2c3cccc(C)c3n(-c3cncc4[nH]c5ccccc5c34)c12
+Cc1cccc2c3cccc(C)c3n(-c3csc4ccccc34)c12
+Cc1cccc2c3cccc(C)c3n(-c3nc4nc5nc[nH]c5nc4[nH]3)c12
+Cc1cccc2c3cccc(C)c3n(-c3nccc4[nH]c5ccncc5c34)c12
+Cc1cccc2c3cccc(C)c3n(-n3ccc4nc5ccoc5nc43)c12
+CN(C)c1c(-c2(C)-c3ccccc3-c3ccccc3-2)ccc2ccccc12
+O=C1C=CC(=O)N1c1c(N(C)C)c2c(cc1)cccc2
+CN(C)c1c(-c2c3[nH]cnc3nc3nc[nH]c23)ccc2ccccc12
+CN(C)c1c(-c2cc(C#N)c(C#N)c(C#N)c2)ccc2ccccc12
+CN(C)c1c(-c2cc(F)ccc2-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)ccc2ccccc12
+CN(C)c1c(-c2cccc(C(=O)C(F)(F)F)c2)ccc2ccccc12
+CN(C)c1c(-c2cccc3c2[nH]c2ncccc23)ccc2ccccc12
+CN(C)c1c(-c2cccc3cnc4ccccc4c23)ccc2ccccc12
+CN(C)c1c(-c2cccc3ncoc23)ccc2ccccc12
+CN(C)c1c(-c2ccon2)ccc2ccccc12
+CN(C)c1c(-c2cnoc2)ccc2ccccc12
+CN(C)c1c(-c2c[nH]c3ccncc23)ccc2ccccc12
+CN(C)c1c(-c2nc3cc4nc[nH]c4cc3[nH]2)ccc2ccccc12
+CN(C)c1c(-c2nc3ccccc3o2)ccc2ccccc12
+CN(C)c1c(-n2c3ccccc3c3cccnc32)ccc2ccccc12
+CN(C)c1cc(-c2c3ncoc3nc3ocnc23)cc2ccccc12
+CN(C)c1cc(-c2c3[nH]cnc3nc3nc[nH]c23)cc2ccccc12
+CN(C)c1cc(-c2cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc2C(=O)c2ccccc2)c2ccccc2c1
+CN(C)c1cc(-c2cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc2C(=O)c2ccccc2)cc2ccccc12
+CN(C)c1cc(-c2cc(=O)c3ccccc3[nH]2)c2ccccc2c1
+CN(C)c1cc(-c2cc3cccnc3c3ncccc23)c2ccccc2c1
+CN(C)c1cc(-c2ccc(-c3cnccn3)cc2)c2ccccc2c1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(cccc2)cc(N(C)C)c1
+CN(C)c1cc(-c2ccc3c(c2)[nH]c2ncccc23)cc2ccccc12
+CN(C)c1cc(-c2ccc3c(cnc4ccccc43)c2)c2ccccc2c1
+CN(C)c1cc(-c2ccc3c(cnc4ccccc43)c2)cc2ccccc12
+CN(C)c1cc(-c2ccc3c(n2)[nH]c2ccccc23)cc2ccccc12
+CN(C)c1cc(-c2ccc3ncoc3c2)cc2ccccc12
+CN(C)c1cc(-c2ccc3nn[nH]c3c2)c2ccccc2c1
+CN(C)c1cc(-c2ccc3[nH]c4cnccc4c3c2)cc2ccccc12
+CN(C)c1cc(-c2cccc(-c3cnccn3)c2)c2ccccc2c1
+CN(C)c1cc(-c2cccc(C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)c2)cc2ccccc12
+CN(C)c1cc(-c2cccc3c(=O)cc[nH]c23)cc2ccccc12
+CN(C)c1cc(-c2cccc3c2C(=O)c=cC3=O)cc2ccccc12
+CN(C)c1cc(-c2cccc3c2ncc2ccccc23)cc2ccccc12
+CN(C)c1cc(-c2cccc3c2[nH]c2cnccc23)c2ccccc2c1
+CN(C)c1cc(-c2cccc3c2[nH]c2cnccc23)cc2ccccc12
+CN(C)c1cc(-c2cccc3nccnc23)c2ccccc2c1
+CN(C)c1cc(-c2cccc3ocnc23)c2ccccc2c1
+CN(C)c1cc(-c2ccccc2-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc2c1
+CN(C)c1cc(-c2ccccc2-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc2ccccc12
+CN(C)c1cc(-c2cccnc2-c2ccccn2)c2ccccc2c1
+CN(C)c1cc(-c2ccnc(-c3ccccn3)c2)c2ccccc2c1
+CN(C)c1cc(-c2ccnc3c2ccc2cccnc23)c2ccccc2c1
+CN(C)c1cc(-c2ccnc3cccnc23)c2ccccc2c1
+CN(C)c1cc(-c2coc3nc4[nH]ccc4nc23)cc2ccccc12
+CN(C)c1cc(-c2csc3ccccc23)c2ccccc2c1
+CN(C)c1cc(-c2nc3nc4nc[nH]c4nc3[nH]2)c2ccccc2c1
+CN(C)c1cc(-c2nccs2)cc2ccccc12
+CN(C)c1cc(-n2cnc3cc4nc[nH]c4cc32)cc2ccccc12
+CN(C)c1cc2ccccc2cc1-c1(C)-c2ccccc2-c2ccccc2-1
+O=C1C=C(C(=O)N1)c1c(N(C)C)cc2c(c1)cccc2
+O=C1c2c(C(=O)N1c1c(N(C)C)cc3c(c1)cccc3)cccc2
+O=C1C=CC(=O)N1c1c(N(C)C)cc2c(c1)cccc2
+CN(C)c1cc2ccccc2cc1-c1c(C#N)cc(C#N)cc1C#N
+CN(C)c1cc2ccccc2cc1-c1c(F)c(F)c(F)c(F)c1F
+CN(C)c1cc2ccccc2cc1-c1cc(C#N)c(C#N)c(C#N)c1
+CN(C)c1cc2ccccc2cc1-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2
+CN(C)c1cc2ccccc2cc1-c1cc2ccccc2s1
+CN(C)c1cc2ccccc2cc1-c1cc2cnccc2[nH]1
+CN(C)c1cc2ccccc2cc1-c1cc2nc3ccoc3nc2[nH]1
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)-c1ccccc1-s-2(=O)=O
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)-s(=O)(=O)-c1ccccc1-2
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)B1c3ccccc3Oc3cccc(c31)O2
+CN(C)c1cc2ccccc2cc1-c1ccc2c(c1)Oc1cccc3c1B2c1ccccc1O3
+CN(C)c1cc2ccccc2cc1-c1ccc2cnc3ccccc3c2c1
+CN(C)c1cc2ccccc2cc1-c1cccc2ocnc12
+CN(C)c1cc2ccccc2cc1-c1ccnc2c1ccc1cccnc12
+CN(C)c1cc2ccccc2cc1-c1ccnc2ncccc12
+CN(C)c1cc2ccccc2cc1-c1cncs1
+CN(C)c1cc2ccccc2cc1-c1coc2nc3[nH]ccc3nc12
+CN(C)c1cc2ccccc2cc1-c1nccnc1-c1ccccc1
+CN(C)c1cc2ccccc2cc1-n1cnc2nc3nc[nH]c3cc21
+CN(C)c1ccc(-c2=cC(=O)c3ccccc3C2=O)c2ccccc12
+CN(C)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)c2ccccc12
+CN(C)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2F)c2ccccc12
+CN(C)c1ccc(-c2cc3cnccc3[nH]2)c2ccccc12
+CN(C)c1ccc(-c2cc3[nH]c4ccncc4c3cn2)c2ccccc12
+CN(C)c1ccc(-c2ccc(-c3cnccn3)cc2)c2ccccc12
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(c(N(C)C)cc1)cccc2
+CN(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)c2ccccc12
+CN(C)c1ccc(-c2ccc3ccsc3c2)c2ccccc12
+CN(C)c1ccc(-c2ccc3[nH]nnc3c2)c2ccccc12
+CN(C)c1ccc(-c2cccc3c2ncc2ccccc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3c2[nH]c2cnccc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3nccnc23)c2ccccc12
+CN(C)c1ccc(-c2cccc3ocnc23)c2ccccc12
+CN(C)c1ccc(-c2ccnc3cccnc23)c2ccccc12
+CN(C)c1ccc(-c2ccno2)c2ccccc12
+CN(C)c1ccc(-c2nccnc2-c2ccccc2)c2ccccc12
+CN(C)c1ccc(-c2ncon2)c2ccccc12
+CN(C)c1ccc(-n2c3ccncc3c3cnccc32)c2ccccc12
+CN(C)c1ccc(-n2ccc3cnccc32)c2ccccc12
+CN(C)c1ccc(-n2cnc3cc4nc[nH]c4cc32)c2ccccc12
+CN(C)c1ccc(-n2cnc3nc4nc[nH]c4nc32)c2ccccc12
+CN(C)c1ccc2c(-c3c(F)c(F)c(F)c(F)c3F)cccc2c1
+CN(C)c1ccc2c(-c3c4[nH]cnc4nc4nc[nH]c34)cccc2c1
+CN(C)c1ccc2c(-c3cc4[nH]c5ccncc5c4cn3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4c(=O)cc[nH]c4c3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4c(c3)ncc3ccccc34)cccc2c1
+CN(C)c1ccc2c(-c3ccc4cccnc4n3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4cnc5ccccc5c4c3)cccc2c1
+CN(C)c1ccc2c(-c3ccc4[nH]ccc(=O)c4c3)cccc2c1
+CN(C)c1ccc2c(-c3ccccc3C(=O)c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)cccc2c1
+CN(C)c1ccc2c(-c3ccno3)cccc2c1
+CN(C)c1ccc2c(-c3ncc(C#N)cn3)cccc2c1
+CN(C)c1ccc2c(-n3ccc(=O)c4ccccc43)cccc2c1
+CN(C)c1ccc2cc(-c3c4nc[nH]c4cc4[nH]cnc34)ccc2c1
+CN(C)c1ccc2cc(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)ccc2c1
+CN(C)c1ccc2cc(-c3cc4nc5ccoc5nc4[nH]3)ccc2c1
+CN(C)c1ccc2cc(-c3cc4[nH]c5ccncc5c4cn3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc(-c4cnccn4)cc3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc4nn[nH]c4c3)ccc2c1
+CN(C)c1ccc2cc(-c3ccc4sccc4c3)ccc2c1
+CN(C)c1ccc2cc(-c3cccc4c3sc3ccccc34)ccc2c1
+CN(C)c1ccc2cc(-c3cccc4ocnc34)ccc2c1
+CN(C)c1ccc2cc(-c3ccccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc2c1
+CN(C)c1ccc2cc(-c3ccccc3C#N)ccc2c1
+CN(C)c1ccc2cc(-c3cnc4nccnc4n3)ccc2c1
+CN(C)c1ccc2cc(-c3csc4ccccc34)ccc2c1
+CN(C)c1ccc2cc(-c3nc4ccccc4c4ccccc34)ccc2c1
+CN(C)c1ccc2cc(-c3nc4nc5nc[nH]c5nc4[nH]3)ccc2c1
+CN(C)c1ccc2cc(-c3nccs3)ccc2c1
+CN(C)c1ccc2cc(-n3c4ccccc4c4ccncc43)ccc2c1
+O=C1C=C(C(=O)N1)c1ccc2c(c1)cc(N(C)C)cc2
+CN(C)c1ccc2ccc(-c3cc(=O)c4ccccc4[nH]3)cc2c1
+CN(C)c1ccc2ccc(-c3ccc(C#N)c(C#N)c3C#N)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4c(c3)C(=O)c=cC4=O)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4c5c3Oc3ccccc3B5c3ccccc3O4)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4ncccc4n3)cc2c1
+CN(C)c1ccc2ccc(-c3ccc4[nH]c5ncccc5c4c3)cc2c1
+CN(C)c1ccc2ccc(-c3cccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)c3)cc2c1
+CN(C)c1ccc2ccc(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)cc2c1
+O=C1c2c(C(=O)N1)cccc2c1ccc2c(c1)cc(N(C)C)cc2
+CN(C)c1ccc2ccc(-c3cccc4ccsc34)cc2c1
+CN(C)c1ccc2ccc(-c3cccc4[nH]c5ncccc5c34)cc2c1
+CN(C)c1ccc2ccc(-c3cccc4[nH]ccc(=O)c34)cc2c1
+CN(C)c1ccc2ccc(-c3ccnc4ncccc34)cc2c1
+CN(C)c1ccc2ccc(-c3cncc4cc[nH]c34)cc2c1
+CN(C)c1ccc2ccc(-n3ccc4cnccc43)cc2c1
+CN(C)c1ccc2ccc(-n3cnc4nc5nc[nH]c5nc43)cc2c1
+CN(C)c1ccc2cccc(-c3c4[nH]cnc4cc4nc[nH]c34)c2c1
+CN(C)c1ccc2cccc(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)c2c1
+CN(C)c1ccc2cccc(-c3cc(F)ccc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)c2c1
+CN(C)c1ccc2cccc(-c3ccc4c(c3)-c3ccccc3-s-4(=O)=O)c2c1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(ccc(N(C)C)c2)ccc1
+CN(C)c1ccc2cccc(-c3ccc4c(c3)[nH]c3ncccc34)c2c1
+CN(C)c1ccc2cccc(-c3ccc4c(n3)[nH]c3ccccc34)c2c1
+CN(C)c1ccc2cccc(-c3ccc4ncoc4c3)c2c1
+CN(C)c1ccc2cccc(-c3cccc(C(=O)C(F)(F)F)c3)c2c1
+CN(C)c1ccc2cccc(-c3cccc4c(=O)cc[nH]c34)c2c1
+CN(C)c1ccc2cccc(-c3cccc4c3B3c5ccccc5Oc5cccc(c53)O4)c2c1
+O=C1c2c(C(=O)N1)cccc2c1c2c(ccc(N(C)C)c2)ccc1
+CN(C)c1ccc2cccc(-c3cccc4ccsc34)c2c1
+CN(C)c1ccc2cccc(-c3cccnc3-c3ccccn3)c2c1
+CN(C)c1ccc2cccc(-c3ccnc4c3ccc3cccnc34)c2c1
+CN(C)c1ccc2cccc(-c3ccnc4cccnc34)c2c1
+CN(C)c1ccc2cccc(-c3cnc4c(ccc5cccnc54)c3)c2c1
+CN(C)c1ccc2cccc(-c3cnc4ncccc4c3)c2c1
+CN(C)c1ccc2cccc(-c3c[nH]c4ccncc34)c2c1
+CN(C)c1ccc2cccc(-c3nccs3)c2c1
+CN(C)c1ccc2cccc(-n3c4ccccc4c4ccncc43)c2c1
+CN(C)c1ccc2ccccc2c1-c1cc(C(=O)c2ccccc2)ccc1-c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1
+CN(C)c1ccc2ccccc2c1-c1cc(F)ccc1-c1nc(-c2ccc(F)cc2)nc(-c2ccc(C(=O)c3ccccc3)cc2)n1
+CN(C)c1ccc2ccccc2c1-c1cc2nc3ccoc3nc2[nH]1
+CN(C)c1ccc2ccccc2c1-c1cc2nc3cc[nH]c3nc2o1
+CN(C)c1ccc2ccccc2c1-c1ccc(C#N)c(C#N)c1C#N
+CN(C)c1ccc2ccccc2c1-c1ccc2c(cnc3ccccc32)c1
+CN(C)c1ccc2ccccc2c1-c1ccc2ccsc2c1
+CN(C)c1ccc2ccccc2c1-c1cccc(C#N)c1
+CN(C)c1ccc2ccccc2c1-c1cccc(C(=O)c2ccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cc2)c1
+CN(C)c1ccc2ccccc2c1-c1cccc2c1-s(=O)(=O)-c1ccccc1-2
+O=C1c2c(C(=O)N1)cccc2c1c(N(C)C)ccc2c1cccc2
+CN(C)c1ccc2ccccc2c1-c1cnc2ccccc2n1
+CN(C)c1ccc2ccccc2c1-c1cncs1
+CN(C)c1ccc2ccccc2c1-c1ncon1
+CN(C)c1cccc2c(-c3c(C#N)cc(C#N)cc3C#N)cccc12
+CN(C)c1cccc2c(-c3cc(C(=O)c4ccccc4)ccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cccc12
+CN(C)c1cccc2c(-c3cc(F)ccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(C(=O)c5ccccc5)cc4)n3)cccc12
+CN(C)c1cccc2c(-c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)cc3)cccc12
+CN(C)c1cccc2c(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)cccc12
+CN(C)c1cccc2c(-c3ccc4ncc5ccccc5c4c3)cccc12
+CN(C)c1cccc2c(-c3ccc4ncccc4n3)cccc12
+CN(C)c1cccc2c(-c3ccc4[nH]nnc4c3)cccc12
+CN(C)c1cccc2c(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)cccc12
+CN(C)c1cccc2c(-c3cccc4c3[nH]c3cnccc34)cccc12
+CN(C)c1cccc2c(-c3cccc4c3[nH]c3ncccc34)cccc12
+CN(C)c1cccc2c(-c3cccc4ccsc34)cccc12
+CN(C)c1cccc2c(-c3cccc4ncc5ccccc5c34)cccc12
+CN(C)c1cccc2c(-c3cccc4sc5ccccc5c34)cccc12
+CN(C)c1cccc2c(-c3cccc4[nH]ccc(=O)c34)cccc12
+CN(C)c1cccc2c(-c3ccccc3C(=O)C(F)(F)F)cccc12
+CN(C)c1cccc2c(-c3ccnc4cccnc34)cccc12
+CN(C)c1cccc2c(-c3cncc4[nH]c5ccccc5c34)cccc12
+CN(C)c1cccc2c(-c3c[nH]c4ccncc34)cccc12
+CN(C)c1cccc2c(-n3c4ccccc4c4ccncc43)cccc12
+CN(C)c1cccc2cc(-c3c(C#N)cccc3C#N)ccc12
+CN(C)c1cccc2cc(-c3ccc(-c4cnccn4)cc3)ccc12
+CN(C)c1cccc2cc(-c3ccc(C#N)cc3)ccc12
+CN(C)c1cccc2cc(-c3ccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)cc3)ccc12
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(c(N(C)C)ccc2)cc1
+CN(C)c1cccc2cc(-c3ccc4c(n3)[nH]c3ccccc34)ccc12
+CN(C)c1cccc2cc(-c3ccc4nn[nH]c4c3)ccc12
+CN(C)c1cccc2cc(-c3cccc(C#N)c3)ccc12
+CN(C)c1cccc2cc(-c3cccc4[nH]c5cnccc5c34)ccc12
+CN(C)c1cccc2cc(-c3cccc4[nH]nnc34)ccc12
+CN(C)c1cccc2cc(-c3ccccc3-c3cnccn3)ccc12
+CN(C)c1cccc2cc(-c3cnc4ncccc4c3)ccc12
+CN(C)c1cccc2cc(-c3coc4nc5[nH]ccc5nc34)ccc12
+CN(C)c1cccc2cc(-c3cscn3)ccc12
+CN(C)c1cccc2cc(-c3c[nH]c4ccccc4c3=O)ccc12
+CN(C)c1cccc2cc(-c3c[nH]c4ccncc34)ccc12
+CN(C)c1cccc2cc(-c3nccc4c3[nH]c3ccccc34)ccc12
+CN(C)c1cccc2cc(-c3nccc4[nH]ccc34)ccc12
+CN(C)c1cccc2cc(-c3ncncc3C#N)ccc12
+CN(C)c1cccc2ccc(-c3cc(=O)c4ccccc4[nH]3)cc12
+CN(C)c1cccc2ccc(-c3ccc4c(c3)-s(=O)(=O)-c3ccccc3-4)cc12
+CN(C)c1cccc2ccc(-c3cccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)c3)cc12
+CN(C)c1cccc2ccc(-c3cccc4c3[nH]c3ncccc34)cc12
+CN(C)c1cccc2ccc(-c3cccc4ocnc34)cc12
+CN(C)c1cccc2ccc(-c3cccc4sccc34)cc12
+CN(C)c1cccc2ccc(-c3cccc4[nH]c5ncccc5c34)cc12
+CN(C)c1cccc2ccc(-c3cccc4[nH]nnc34)cc12
+CN(C)c1cccc2ccc(-c3ccnc4cccnc34)cc12
+CN(C)c1cccc2ccc(-c3ccno3)cc12
+CN(C)c1cccc2ccc(-c3coc4cc5ccoc5cc34)cc12
+CN(C)c1cccc2ccc(-n3ccc(=O)c4ccccc43)cc12
+CN(C)c1cccc2cccc(-c3c(C#N)cc(C#N)cc3C#N)c12
+CN(C)c1cccc2cccc(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)c12
+CN(C)c1cccc2cccc(-c3cc(C#N)cc(C#N)c3)c12
+CN(C)c1cccc2cccc(-c3cc4cc5occc5cc4o3)c12
+CN(C)c1cccc2cccc(-c3ccc(C#N)cc3C#N)c12
+CN(C)c1cccc2cccc(-c3ccc4cccnc4n3)c12
+CN(C)c1cccc2cccc(-c3ccc4ocnc4c3)c12
+CN(C)c1cccc2cccc(-c3cccc4c3[nH]c3ncccc34)c12
+CN(C)c1cccc2cccc(-c3cccc4[nH]c5ncccc5c34)c12
+CN(C)c1cccc2cccc(-c3coc4cc5ccoc5cc34)c12
+CN(C)c1cccc2cccc(-c3coc4nc5[nH]ccc5nc34)c12
+CN(C)c1cccc2cccc(-c3nc4ccccc4c4ccccc34)c12
+CN(C)c1cccc2cccc(-c3nc4ccccc4o3)c12
+CN(C)c1cccc2cccc(-c3nccc4[nH]c5ccncc5c34)c12
+CN(C)c1cccc2cccc(-c3ncncc3C#N)c12
+CN(C)c1cccc2cccc(-n3c4ccccc4c4ccncc43)c12
+CN(C)c1cccc2cccc(-n3ccc4nc5ccoc5nc43)c12
+CN(C)c1cccc2cccc(-n3cnc4cc5nc[nH]c5cc43)c12
+CN(C)c1cccc2cccc(-n3cnc4nc5nc[nH]c5nc43)c12
+CN1c2ccccc2N(C)c2c(-c3=cC(=O)c4ccccc4C3=O)cccc21
+CN1c2ccccc2N(C)c2c(-c3c4[nH]cnc4cc4nc[nH]c34)cccc21
+CN1c2ccccc2N(C)c2c(-c3cc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(C(=O)c6ccccc6)cc5)n4)ccc3F)cccc21
+CN1c2ccccc2N(C)c2c(-c3cc4[nH]c5ccncc5c4cn3)cccc21
+CN1c2ccccc2N(C)c2c(-c3cc4[nH]ccc4cn3)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4c(c3)-c3ccccc3-s-4(=O)=O)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4c(c3)sc3ccccc34)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4cccnc4n3)cccc21
+CN1c2ccccc2N(C)c2c(-c3ccc4ncc5ccccc5c4c3)cccc21
+O=C1c2c(C(=O)N1)cccc2c1c2N(C)c3c(N(C)c2ccc1)cccc3
+CN1c2ccccc2N(C)c2c(-c3cccc4ocnc34)cccc21
+CN1c2ccccc2N(C)c2c(-c3cnc4cccnc4c3)cccc21
+CN1c2ccccc2N(C)c2c(-c3c[nH]c4nc5occc5nc34)cccc21
+CN1c2ccccc2N(C)c2c(-c3ncc(C#N)cn3)cccc21
+CN1c2ccccc2N(C)c2c1cccc2-n1ccc(=O)c2ccccc21
+CN1c2ccccc2N(C)c2c1cccc2-n1nnc2ccccc21
+CN1c2ccccc2N(C)c2cc(-c3=cC(=O)c4ccccc4C3=O)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cc4ccccc4s3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccc(C#N)c(C#N)c3C#N)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccc4c(=O)cc[nH]c4c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccc4ncoc4c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cccc(C(=O)c4ccc(-c5nc(-c6ccc(F)cc6)nc(-c6ccc(F)cc6)n5)cc4)c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cccc4c3-s(=O)(=O)-c3ccccc3-4)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cccc4ccsc34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccccc3-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ccnc(-c4ccccn4)c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cnc4c(ccc5cccnc54)c3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cncc(-c4ccccc4)n3)ccc21
+CN1c2ccccc2N(C)c2cc(-c3cncc4[nH]c5ccccc5c34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3csc4ccccc34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3c[nH]c4nc5occc5nc34)ccc21
+CN1c2ccccc2N(C)c2cc(-c3ncon3)ccc21
+CN1c2ccccc2N(C)c2cc(-n3ccc(=O)c4ccccc43)ccc21
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+N#Cc1cccc(C#N)c1-n1c2ccncc2c2cnccc21
+N#Cc1cccc(C#N)c1-n1ccc2nc3ccoc3nc21
+N#Cc1cccc(C#N)c1-n1cnc2nc3nc[nH]c3nc21
+N#Cc1ccccc1-c1c(-c2ccccc2)cc2c3c1CCCN3CCC2
+N#Cc1ccccc1-c1cc(F)c(F)c(F)c1
+N#Cc1ccccc1-c1cc2cc3cc[nH]c3cc2o1
+N#Cc1ccccc1-c1cc2[nH]c3ccncc3c2cn1
+N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1c1[nH]cnc21
+N#Cc1ccccc1-c1ccc2scnc2c1
+N#Cc1ccccc1c1c2c(Sc3c(cccc3)N2)ccc1
+N#Cc1ccccc1-c1cccc2c3ccccc3c3nc[nH]c3c12
+N#Cc1ccccc1-c1cccc2c3nc[nH]c3c3ccccc3c12
+N#Cc1ccccc1-c1cccc2c3[nH]cnc3c3ccccc3c12
+N#Cc1ccccc1-c1cccc2ncc3ccccc3c12
+N#Cc1ccccc1-c1cccc2[nH]c3[nH]c4ccccc4c3c12
+N#Cc1ccccc1-c1cccc2[nH]nnc12
+N#Cc1ccccc1-c1cc[nH]n1
+N#Cc1ccccc1-c1coc2cc3[nH]ccc3cc12
+N#Cc1ccccc1-c1c[nH]c2cc3occc3cc12
+N#Cc1ccccc1-n1c2ccccc2c2cnccc21
+N#Cc1cnc(-c2cc3ccccc3o2)nc1
+N#Cc1cnc(-c2cc3[nH]c4ccccc4c3c3[nH]c4ccccc4c23)nc1
+c1(C#N)cnc(nc1)c1cc2c(Sc3c(cccc3)N2)cc1
+N#Cc1cnc(-c2ccc3c(c2)c2ccccc2c2nc[nH]c32)nc1
+N#Cc1cnc(-c2ccc3c(c2)Oc2ccccc2O3)nc1
+N#Cc1cnc(-c2ccc3c4ccccc4c4nc[nH]c4c3c2)nc1
+N#Cc1cnc(-c2ccc3sc4ncccc4c3c2)nc1
+N#Cc1cnc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)nc1
+N#Cc1cnc(-c2ccc3[nH]nnc3c2)nc1
+N#Cc1cnc(-c2cccc3c2sc2ncccc23)nc1
+N#Cc1cnc(-c2cccc3c2[nH]c2cnccc23)nc1
+N#Cc1cnc(-c2cccc3c4ccccc4c4[nH]cnc4c23)nc1
+N#Cc1cnc(-c2cccc3c4nccnc4c4ccccc4c23)nc1
+N#Cc1cnc(-c2cccc3ccsc23)nc1
+N#Cc1cnc(-c2cccc3ncc4ccccc4c23)nc1
+N#Cc1cnc(-c2cccc3ncsc23)nc1
+N#Cc1cnc(-c2cccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c23)nc1
+N#Cc1cnc(-c2cnc3sc4ncccc4c3c2)nc1
+N#Cc1cnc(-c2c[nH]c3nc4occc4nc23)nc1
+N#Cc1cnc(-c2nc3ccccc3c3ccccc23)nc1
+N#Cc1cnc(-n2c3ccccc3c3ccncc32)nc1
+N#Cc1cnc(-n2ccc(=O)c3ccccc32)nc1
+N#Cc1cncnc1-c1cc2[nH]c3ccccc3c2cn1
+N#Cc1cncnc1-c1ccc2c(c1)Oc1ccccc1O2
+N#Cc1cncnc1-c1ccc2ncoc2c1
+N#Cc1cncnc1-c1ccc2[nH]c3[nH]c4ccccc4c3c2c1
+N#Cc1cncnc1-c1cccc(N(c2ccccc2)c2ccccc2)c1
+c1(C#N)cncnc1c1c2c(CCc3c(cccc3)N2)ccc1
+N#Cc1cncnc1-c1cccc2c1oc1ccccc12
+N#Cc1cncnc1-c1cccc2c1oc1ncccc12
+N#Cc1cncnc1-c1cccc2c3nc[nH]c3c3ccccc3c12
+N#Cc1cncnc1-c1cccc2sccc12
+N#Cc1cncnc1-c1cccc2scnc12
+N#Cc1cncnc1-c1cccc2[nH]c3c(ccc4[nH]c5ccccc5c43)c12
+N#Cc1cncnc1-c1cccc2[nH]c3ccncc3c12
+N#Cc1cncnc1-c1cccc2[nH]nnc12
+N#Cc1cncnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
+N#Cc1cncnc1-c1nc2ccccc2o1
+N#Cc1cncnc1-c1nccc2c1[nH]c1ccccc12
+N#Cc1cncnc1-c1nccc2[nH]c3ccncc3c12
+N#Cc1cncnc1-n1c2ccccc2c2ccc3[nH]c4ccccc4c3c21
+N#Cc1cncnc1-n1c2ccncc2c2cnccc21
+N#Cc1cncnc1-n1ccc2nc3ccoc3nc21
+Nc1ccc(-c2c3ncoc3nc3ocnc23)cc1
+Nc1ccc(-c2ccc3c(c2)-s(=O)(=O)-c2ccccc2-3)cc1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc(N)cc1
+Nc1ccc(-c2ccc3ncccc3n2)cc1
+Nc1ccc(-c2ccc3[nH]nnc3c2)cc1
+Nc1ccc(-c2cccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c2)cc1
+Nc1ccc(-c2cccc(C(=O)C(F)(F)F)c2)cc1
+Nc1ccc(-c2cccc3ocnc23)cc1
+Nc1ccc(-c2cccc3[nH]c4ncccc4c23)cc1
+Nc1ccc(-c2cnc3nccnc3n2)cc1
+Nc1ccc(-c2nc3ccccc3o2)cc1
+Nc1ccc(-c2nc3nc4nc[nH]c4nc3[nH]2)cc1
+Nc1ccc(-n2c3ccncc3c3cnccc32)cc1
+Nc1ccc(-n2cnc3cc4nc[nH]c4cc32)cc1
+Nc1ccc(-n2cnc3nc4nc[nH]c4cc32)cc1
+Nc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1
+Nc1cccc(-c2c3ccoc3cc3ccoc23)c1
+Nc1cccc(-c2cc(=O)c3ccccc3[nH]2)c1
+O=C1c2c(C(=O)N1)ccc(c2)c1cccc(N)c1
+Nc1cccc(-c2ccc3c4c2Oc2ccccc2B4c2ccccc2O3)c1
+Nc1cccc(-c2ccc3cccnc3n2)c1
+Nc1cccc(-c2ccc3ncc4ccccc4c3c2)c1
+Nc1cccc(-c2ccc3ocnc3c2)c1
+Nc1cccc(-c2cccc(-c3ccccn3)n2)c1
+Nc1cccc(-c2cccc3sccc23)c1
+Nc1cccc(-c2ccon2)c1
+Nc1cccc(-c2cncc3cc[nH]c23)c1
+Nc1cccc(-c2coc3cc4ccoc4cc23)c1
+Nc1cccc(-c2nc3ccccc3o2)c1
+Nc1cccc(-n2ccc3nc4ccoc4nc32)c1
+Nc1ccccc1-c1c2[nH]cnc2nc2nc[nH]c12
+Nc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)ccc1F
+Nc1ccccc1-c1cc2c(cn1)[nH]c1ccccc12
+Nc1ccccc1-c1ccc(-c2ccccn2)nc1
+Nc1ccccc1-c1ccc(-c2cnccn2)cc1
+Nc1ccccc1-c1ccc2c(c1)B1c3ccccc3Oc3cccc(c31)O2
+Nc1ccccc1-c1ccc2c(c1)sc1ccccc12
+Nc1ccccc1-c1ccc2nccnc2c1
+Nc1ccccc1-c1ccc2sc3ccccc3c2c1
+Nc1ccccc1-c1ccc2[nH]c3cnccc3c2c1
+Nc1ccccc1-c1ccc2[nH]ccc(=O)c2c1
+Nc1ccccc1-c1cccc2nccnc12
+Nc1ccccc1-c1cccc2sc3ccccc3c12
+Nc1ccccc1-c1cccc2[nH]ccc(=O)c12
+Nc1ccccc1-c1ccccc1C(=O)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+Nc1ccccc1-c1cncc2[nH]c3ccccc3c12
+Nc1ccccc1-c1nc2cc3ncoc3nc2o1
+Nc1ccccc1-c1nc2ccccc2o1
+Nc1ccccc1-n1c2ccccc2c2ccncc21
+Nc1ccccc1-n1ccc2cnccc21
+O=C(c1ccc(-c2c(-c3ccccc3)cc3c4c2CCCN4CCC3)cc1)C(F)(F)F
+O=C(c1ccc(-c2c3ccoc3cc3ccoc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2c3cc[nH]c3cc3occc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cc3[nH]c4ccccc4c3cn2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2cc3[nH]c4ccncc4c3cn2)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccc3c(=O)cc[nH]c3c2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(cc1)c1cc2c(Sc3c(cccc3)N2)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccc3c(c2)c2ccccc2c2nccnc32)cc1)C(F)(F)F
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1cc2CCc3c(cccc3)Nc2cc1
+O=C(c1ccc(-c2ccc3c(c2)[nH]c2c3ccc3[nH]c4ccccc4c32)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2ccc3c(n2)sc2ccccc23)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2ccc3oc4ccccc4c3c2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2cccc(-c3cc4c5c(c3)CCCN5CCC4)c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3c(=O)cc[nH]c23)cc1)C(F)(F)F
+O=C(c1ccc(cc1)c1c2CCc3c(cccc3)Nc2ccc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3c2sc2ncccc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3c2[nH]c2c3ccc3[nH]c4ccccc4c32)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3ccoc23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3oc4ccccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cccc3[nH]c4cnccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccnc3oc4ccccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2ccnnc2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cnc3oc4ccccc4c3c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cnc3sc4ccccc4c3c2)cc1)C(F)(F)F
+O=C(c1ccc(-c2cncc3[nH]c4ccccc4c23)cc1)C(F)(F)F
+O=C(c1ccc(-c2cn[nH]c2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2c[nH]c(=O)[nH]2)cc1)C(F)(F)F
+O=C(c1ccc(-c2c[nH]c3ccccc3c2=O)cc1)C(F)(F)F
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2c3ncsc3cc3ncsc23)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccc(cc1)c1c2c(Sc3c(cccc3)N2)ccc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3c2cnc2ccccc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3c2[nH]c2[nH]c4ccccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3cc[nH]c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3cnc4ccccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3nn[nH]c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3sc4ncccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2cccc3[nH]c4cnccc4c23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2coc3cc4ccoc4cc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2coc3ccccc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2c[nH]c3nc4occc4nc23)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-c2nc3ccccc3o2)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccc(-n2ccc3nc4ccoc4nc32)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)N1c2c(Sc3c1cccc3)cccc2
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)N1c2c(CCc3c1cccc3)cccc2
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cc3c(cn2)[nH]c2ccccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cc3ccccc3[nH]2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cc3nc4ccoc4nc3[nH]2)c1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)cccc(c1)c1ccc2c(Sc3c(cccc3)N2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)Oc2ccccc2O3)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)[nH]c2c3ccc3[nH]c4ccccc4c32)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)[nH]c2ccc4c5ccccc5[nH]c4c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)[nH]c2cnccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(n2)oc2ccccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3ccsc3c2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3occc3c2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3c2oc2ncccc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3c4ccccc4c4nccnc4c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3cc[nH]c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3ncsc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3nn[nH]c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3[nH]c4ccccc4c(=O)c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3[nH]nnc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2c[nH]c3nc4occc4nc23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2nc3ccccc3s2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2nccc3[nH]c4ccccc4c23)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-n2c3ccccc3c3cnccc32)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-n2ccc3cc4ccoc4cc32)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1c2cc[nH]c2cc2occc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1c2ncoc2cc2ncoc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc(-c2cc3c4c(c2)CCCN4CCC3)cc1
+c1(C(=O)c2ccc(c3nc(nc(n3)c3ccc(F)cc3)c3ccc(F)cc3)cc2)ccccc1c1ccc2c(Sc3c(cccc3)N2)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)ncc1ccccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)oc1ncccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)sc1ncccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)[nH]c1ccc3c4ccccc4[nH]c3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(c1)[nH]c1[nH]c3ccccc3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c(n1)oc1ccccc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2c3ccccc3c3nc[nH]c3c2c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2cnc3ccccc3c2c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccc2ncoc2c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1cccc2c3nccnc3c3ccccc3c12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1cccc2ccoc12
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1
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+O=c1c2ccccc2[nH]c2ccc(-c3cc(F)ccc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)cc12
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+O=c1c2ccccc2[nH]c2ccc(-c3ccc4c(c3)B3c5ccccc5Oc5cccc(c53)O4)cc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3O5)cc12
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+O=c1c2ccccc2[nH]c2ccc(-c3cccc4ccsc34)cc12
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+O=c1c2ccccc2[nH]c2ccc(-c3ccnc4[nH]c5ccccc5c34)cc12
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+O=c1c2ccccc2[nH]c2cccc(-c3cc4cccnc4c4ncccc34)c12
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+O=c1c2ccccc2[nH]c2cccc(-c3ccc4ncoc4c3)c12
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+O=c1c2ccccc2[nH]c2cccc(-c3ccc4sc5ccccc5c4c3)c12
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+O=c1c2ccccc2[nH]c2cccc(-c3ccnc4cccnc34)c12
+O=c1c2ccccc2[nH]c2cccc(-c3cnc4c(ccc5cccnc54)c3)c12
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+O=C1C=C(C(=O)N1)c1c2c(cc3c1cco3)[nH]cc2
+O=C1C=C(C(=O)N1)c1c2c(ocn2)cc2ncoc12
+O=C1C=C(C(=O)N1)c1cc(=O)c2c(cccc2)[nH]1
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+O=C1C=C(C(=O)N1)c1ncc2c(c1)[nH]c1c2cncc1
+O=C1C=C(C(=O)N1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
+O=C1C=C(C(=O)N1)c1ccc2CCc3c(cccc3)Nc2c1
+O=C1c2c(C(=O)C(=C1)c1ccc3CCc4c(cccc4)Nc3c1)cccc2
+O=C1c2c(C(=O)C(=C1)c1ccc3c(Sc4c(cccc4)N3)c1)cccc2
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+O=C1C=C(C(=O)N1)c1cc2c(c3c4c(c5c(cccc5)[nH]4)ccc3[nH]2)cc1
+O=C1C=C(C(=O)N1)c1ccc2c(c1)[nH]c1c2cncc1
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+O=C1C=C(C(=O)N1)c1ccc2c(scc2)c1
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+O=C1C=C(C(=O)N1)c1ccc2c(c1)[nH]cc2
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+O=C1C=C(C(=O)N1)c1ccc2c(c1)[nH]nn2
+O=C1C=C(C(=O)N1)c1cc2c(occ2)cc1
+O=C1c=c(-c2ccc3[nH]c4c(ccc5[nH]c6ccccc6c54)c3c2)C(=O)c2ccccc21
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+O=C1c=c(-c2cccc3c2cnc2ccccc23)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c(c3c4c(cccc4)[nH]c3[nH]2)ccc1
+O=C1c=c(-c2cccc3c4ccccc4c4nc[nH]c4c23)C(=O)c2ccccc21
+O=C1c=c(-c2cccc3c4ccccc4c4[nH]cnc4c23)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c(nn[nH]2)ccc1
+O=C1c=c(-c2cccc3ocnc23)C(=O)c2ccccc21
+O=C1c=c(-c2cccc3[nH]c4ccc5c6ccccc6[nH]c5c4c23)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c(c2cc3c4c(CCCN4CCC3)c2)cccc1
+O=C1c=c(-c2cnc3sc4ccccc4c3c2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c3c(cccc3)[nH]c2cnc1
+O=C1c=c(-c2c[nH]c(=O)[nH]2)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)c1c2c(cccc2)[nH]c1
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+O=C1c=c(-n2c3ccccc3c(=O)c3ccccc32)C(=O)c2ccccc21
+O=C1C=C(C(=O)N1)n1c2c(c3c1ccnc3)cccc2
+O=C1C=C(C(=O)N1)n1c2c(nc1)c1c(c3c2cccc3)cccc1
+O=C1C=CC(=O)N1c1c2c(c3c(c4c(cccc4)[nH]3)c1)c1c(cccc1)[nH]2
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+O=C1C=CC(=O)N1c1c2c3c(cccc3)[nH]c2c2c(c1)[nH]c1c2cccc1
+O=C1C=CC(=O)N1c1ncc2c(c1)[nH]c1c2cncc1
+O=C1C=CC(=O)N1c1ccc(c2cc3c4c(CCCN4CCC3)c2)cc1
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+O=C1C=CC(=O)N1c1cc2c(c3c4c(cccc4)[nH]c3[nH]2)cc1
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+O=C1C=CC(=O)N1c1cc2ncsc2cc1
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+O=C1C=CC(=O)N1c1c2c(c3c(c4c(cc3)[nH]c3c4cccc3)[nH]2)ccc1
+O=C1C=CC(=O)N1c1c2c(nco2)ccc1
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+O=C1C=CC(=O)N1c1c2c(cc3c(c2)cco3)[nH]c1
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+O=C1c2c(C(=O)C=C1)cccc2N1c2c(CCc3c1cccc3)cccc2
+O=C1c=cC(=O)c2c1cccc2-c1c2ncoc2cc2ncoc12
+O=C1c=cC(=O)c2c1cccc2-c1c2[nH]ccc2cc2ccoc12
+O=C1c=cC(=O)c2c1cccc2-c1cc2nc3ccoc3nc2[nH]1
+O=C1c=cC(=O)c2c1cccc2-c1ccc(F)c(F)c1F
+O=C1c2c(C(=O)C=C1)cccc2c1ccc2c(Sc3c(cccc3)N2)c1
+O=C1c=cC(=O)c2c1cccc2-c1ccc2c(c1)ncc1ccccc12
+O=C1c=cC(=O)c2c1cccc2-c1ccc2c(n1)sc1ncccc12
+O=C1c=cC(=O)c2c1cccc2-c1ccc2cnc3ccccc3c2c1
+O=C1c=cC(=O)c2c1cccc2-c1ccc2ncc3ccccc3c2c1
+O=C1c=cC(=O)c2c1cccc2-c1ccc2[nH]c3[nH]c4ccccc4c3c2c1
+O=C1c2c(C(=O)C=C1)cccc2c1c2c(Sc3c(cccc3)N2)ccc1
+O=C1c=cC(=O)c2c1cccc2-c1cccc2c1[nH]c1c2ccc2[nH]c3ccccc3c21
+O=C1c=cC(=O)c2c1cccc2-c1cccc2c1[nH]c1cnccc12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2c3ccccc3c3nccnc3c12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2ccoc12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2occc12
+O=C1c=cC(=O)c2c1cccc2-c1cccc2[nH]c3ccccc3c(=O)c12
+O=C1c=cC(=O)c2c1cccc2-c1ccccc1N(c1ccccc1)c1ccccc1
+O=C1c=cC(=O)c2c1cccc2-c1nc2c3ccccc3c3ccccc3c2[nH]1
+O=C1c=cC(=O)c2c1cccc2-c1nccc2[nH]c3ccncc3c12
+O=C1c=cC(=O)c2c1cccc2-n1c2ccncc2c2cnccc21
+O=C1c=cC(=O)c2c1cccc2-n1ccc(=O)c2ccccc21
+O=C1c=cC(=O)c2cc(-c3cc4cc5ccoc5cc4[nH]3)ccc21
+O=C1c=cC(=O)c2cc(-c3cc4cc5occc5cc4o3)ccc21
+O=C1c=cC(=O)c2cc(-c3cc4nc5cc[nH]c5nc4o3)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(=O)cc[nH]c4c3)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(c3)Oc3ccccc3O4)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(c3)sc3ncccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4c(n3)sc3ccccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3ccc4[nH]ccc(=O)c4c3)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3cnc3ccccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3ncc3ccccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3oc3ncccc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3[nH]c3ccncc34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4c3[nH]c3[nH]c5ccccc5c34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4[nH]c5c(ccc6[nH]c7ccccc7c65)c34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4[nH]c5ccccc5c(=O)c34)ccc21
+O=C1c=cC(=O)c2cc(-c3cccc4[nH]c5ccncc5c34)ccc21
+O=C1c=cC(=O)c2cc(-c3ccccc3-c3cc4c5c(c3)CCCN5CCC4)ccc21
+O=C1c=cC(=O)c2cc(-c3cnc4sc5ccccc5c4c3)ccc21
+O=C1c=cC(=O)c2cc(-n3cc[nH]c3=O)ccc21
+O=C1c=cC(=O)c2cc(-n3nnc4ccccc43)ccc21
+O=c1cc(-c2c3nc[nH]c3cc3[nH]cnc23)[nH]c2ccccc12
+O=c1cc(-c2cc3cccnc3c3ncccc23)[nH]c2ccccc12
+O=c1cc(-c2cc3[nH]c4ccncc4c3cn2)[nH]c2ccccc12
+O=c1cc(-c2ccc3c(c2)-s(=O)(=O)-c2ccccc2-3)[nH]c2ccccc12
+O=c1cc(-c2ccc3c(c2)c2ccccc2c2nccnc32)[nH]c2ccccc12
+O=c1cc(-c2ccc3c(c2)c2ccccc2c2nc[nH]c32)[nH]c2ccccc12
+O=c1c2c(cccc2)[nH]c(c1)c1cc2CCc3c(cccc3)Nc2cc1
+O=c1cc(-c2ccc3c(n2)sc2ccccc23)[nH]c2ccccc12
+O=c1cc(-c2ccc3c4c2CCCN4CCC3)[nH]c2ccccc12
+O=c1cc(-c2ccc3c4ccccc4c4nc[nH]c4c3c2)[nH]c2ccccc12
+O=c1cc(-c2ccc3cc[nH]c3c2)[nH]c2ccccc12
+O=c1cc(-c2ccc3scnc3c2)[nH]c2ccccc12
+O=c1cc(-c2ccc3[nH]c4ccncc4c3c2)[nH]c2ccccc12
+O=c1cc(-c2cccc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c2)[nH]c2ccccc12
+O=c1cc(-c2cccc3c4ccccc4c4nccnc4c23)[nH]c2ccccc12
+O=c1cc(-c2cccc3c4ccccc4c4nc[nH]c4c23)[nH]c2ccccc12
+O=c1cc(-c2cccc3c4nccnc4c4ccccc4c23)[nH]c2ccccc12
+O=c1cc(-c2cccc3[nH]c4ccccc4c(=O)c23)[nH]c2ccccc12
+O=c1cc(-c2ccnc3c2ccc2cccnc23)[nH]c2ccccc12
+O=c1cc(-c2ccnc3cccnc23)[nH]c2ccccc12
+O=c1cc(-c2ccon2)[nH]c2ccccc12
+O=c1cc(-c2cc[nH]n2)[nH]c2ccccc12
+O=c1cc(-c2cnc3cccnc3c2)[nH]c2ccccc12
+O=c1cc(-c2c[nH]c3ccncc23)[nH]c2ccccc12
+O=c1cc(-c2nc3nc4ocnc4nc3o2)[nH]c2ccccc12
+O=c1cc(-n2c3ccccc3c3ccncc32)[nH]c2ccccc12
+O=c1cc(-n2ccc(=O)c3ccccc32)[nH]c2ccccc12
+O=c1cc(-n2cnc3nc4nc[nH]c4nc32)[nH]c2ccccc12
+O=C1c2c(C(=O)N1)cccc2c1ncc2c(c3c(cccc3)[nH]2)c1
+O=C1c2c(C(=O)N1)cccc2c1c(F)c(c(F)cc1)F
+O=C1c2c(C(=O)N1)cccc2c1ccc2c(sc3ncccc23)c1
+O=C1c2c(C(=O)N1)cccc2c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2
+O=C1c2c(C(=O)N1)cccc2c1ccc2c(c(=O)c3c(cccc3)[nH]2)c1
+O=C1c2c(C(=O)N1)cccc2c1cccc(N(c2ccccc2)c2ccccc2)c1
+O=C1c2c(C(=O)N1)cccc2c1c2c(ccc1)Nc1c(S2)cccc1
+O=C1c2c(C(=O)N1)cccc2c1c2c(c3c(c4c2nccn4)cccc3)ccc1
+O=C1c2c(C(=O)N1)cccc2c1c2c3nc[nH]c3c3c(c2ccc1)cccc3
+O=C1c2c(C(=O)N1)cccc2c1c2ncsc2ccc1
+O=C1c2c(C(=O)N1)cccc2c1c2c(ccc1)[nH]c1c2cncc1
+O=C1c2c(C(=O)N1)cccc2c1c2c(=O)cc[nH]c2ccc1
+O=C1c2c(C(=O)N1)cccc2c1c2c3c(sc2ncc1)cccc3
+O=C1c2c(C(=O)N1)cccc2c1nc2c3c(c4c(c2nc1)cccc4)cccc3
+O=C1c2c(C(=O)N1)cccc2c1cnc2c(c3c(nccc3)s2)c1
+O=C1c2c(C(=O)N1)cccc2c1oc2c(n1)cc1c(nco1)c2
+O=C1c2c(C(=O)N1)cccc2n1c2c(c(=O)c3c1cccc3)cccc2
+O=C1c2c(C(=O)N1)cccc2n1c2c(c3c1c1c(cc3)[nH]c3c1cccc3)cccc2
+O=C1c2c(C(=O)N1)cccc2n1c2c(nc1)c1c(c3c2cccc3)cccc1
+O=C1c2c(C(=O)N1)cccc2n1c2c(nc1)nc1nc[nH]c1n2
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(cc3c(c2)cco3)[nH]1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c3c(cccc3)[nH]c2c2c(c1)[nH]c1c2cccc1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2c(oc3ncccc23)c1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2c(c1)[nH]c1c2ccc2c1c1c(cccc1)[nH]2
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(c3c4c(c5c(cccc5)[nH]4)ccc3[nH]2)cc1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2c(c1)cnc1c2cccc1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2ncoc2c1
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(occ2)cc1
+O=C1c2c(C(=O)N1)ccc(c2)c1ccc2c(c(=O)c3c(cccc3)[nH]2)c1
+O=C1c2c(C(=O)N1)ccc(c2)c1cc2c(cc1)[nH]cc2
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(c(=O)c3c(cccc3)[nH]2)ccc1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(Sc3c(cccc3)N2)ccc1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(nco2)ccc1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(ccc1)[nH]c1c2c2c(cccc2)[nH]1
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+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(c3c(cccc3)[nH]2)cnc1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c3c(cccc3)[nH]c2cnc1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(oc1)cc1c(cc[nH]1)c2
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(cc3c(c2)cco3)[nH]c1
+O=C1c2c(C(=O)N1)ccc(c2)c1c2c(ccn1)[nH]c1c2cncc1
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+c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5[nH]c6[nH]c7ccccc7c6c45)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c[nH]c5cc6occc6cc45)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5nc6nc[nH]c6nc5[nH]4)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4ccc5ccccc54)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4nnc5ccccc54)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc4nc5ccoc5nc4[nH]3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc4nc5cc[nH]c5nc4o3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)-s-c3ccccc3-[nH]-4)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)-[nH]-c3ccccc3-s-4)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)c3ccccc3c3nc[nH]c43)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)[nH]c3cnccc34)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c5ccccc5c5nc[nH]c5c4c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4sc5ncccc5c4c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc(N(c4ccccc4)c4ccccc4)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c5[nH]cnc5c5ccccc5c34)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3c[nH]c4cc5occc5cc34)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5[nH]c6ccccc6c5c43)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3cnc4nc5nc[nH]c5nc43)n2)cc1
+CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc2-[nH]-c2c1ccc1c2c2ccccc2n1-c1ccccc1
+CC1(C)c2cc(-c3ccc4cccc5c4c3-c3nc4cc(C#N)c(C#N)cc4nc3-5)ccc2-[nH]-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
+CC1(C)c2cc3c(cc2-[nH]-c2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc21)c1ccccc1n3-c1ccccc1
+CC1(C)c2cc3c(cc2-[nH]-c2cccc(-c4ccc5cccc6c5c4-c4nc5cc(C#N)c(C#N)cc5nc4-6)c21)c1ccccc1n3-c1ccccc1
+CC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc21
+CC1(C)c2ccccc2-c2cc(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)ccc21
+CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21
+CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
+CC1(C)c2ccccc2-n(-c2cc3c4c(cccc4c2)-c2nc4cc(C#N)c(C#N)cc4nc2-3)-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
+CC1(C)c2ccccc2-n(-c2ccc3cccc4c3c2-c2nc3cc(C#N)c(C#N)cc3nc2-4)-c2ccccc21
+CC1(C)c2ccccc2-[nH]-c2c(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)cccc21
+CC1(C)c2ccccc2-[nH]-c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc21
+CC1(C)c2ccccc2-[nH]-c2c1cc1c(c2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc2n1-c1ccccc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2c(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)cccc2n1-c1ccccc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2n1-c1ccccc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2n1-c1ccccc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2n1-c1ccccc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2ccc3c4c(cccc24)-c2nc4cc(C#N)c(C#N)cc4nc2-3)cc1
+CC1(C)c2ccccc2-[nH]-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
+CC1(C)c2ccccc2-[nH]-c2cc(-c3ccc4cccc5c4c3-c3nc4cc(C#N)c(C#N)cc4nc3-5)ccc21
+CC1(C)c2ccccc2-[nH]-c2cc3c4c(-c5cc6c7c(cccc7c5)-c5nc7cc(C#N)c(C#N)cc7nc5-6)cccc4n(-c4ccccc4)c3cc21
+CC1(C)c2ccccc2-[nH]-c2cc3c4c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc4n(-c4ccccc4)c3cc21
+CC1(C)c2ccccc2-[nH]-c2cc3c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc4n(-c4ccccc4)c3cc21
+CC1(C)c2ccccc2-[nH]-c2cc3c4ccccc4n(-c4cccc(-c5c(C#N)c(C#N)cc6nc7c(nc56)-c5cccc6cccc-7c56)c4)c3cc21
+CC1(C)c2ccccc2-[nH]-c2cc3c4ccccc4n(-c4ccccc4-c4cc5c6c(cccc6c4)-c4nc6cc(C#N)c(C#N)cc6nc4-5)c3cc21
+CC1(C)c2ccccc2-[nH]-c2cc3c4ccccc4n(-c4ccccc4-c4ccc5cccc6c5c4-c4nc5cc(C#N)c(C#N)cc5nc4-6)c3cc21
+CC1(C)c2ccccc2-[nH]-c2ccc(-c3ccc4cccc5c4c3-c3nc4cc(C#N)c(C#N)cc4nc3-5)cc21
+Cc1-c2ccccc2-[nH]-c2ccc(-c3ccc4cccc5c4c3-c3nc4cc(C#N)c(C#N)cc4nc3-5)cc2-1
+Cc1-c2ccccc2-[nH]-c2cccc(-c3c(C#N)c(C#N)cc4nc5c(nc34)-c3cccc4cccc-5c34)c2-1
+Cc1c(C)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2c(c1C)c1ccccc1n2C
+Cc1cc2c(c(C)c1C)c1c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc1n2C
+Cc1cccc2c1[nH]c1c(C)cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
+Cc1cccc2c3cccc(C)c3n(-c3ccc4c5c(cccc35)-c3nc5cc(C#N)c(C#N)cc5nc3-4)c12
+CN(C)c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2ccccc12
+CN(C)c1cc2ccccc2cc1-c1ccc2c3c(cccc13)-c1nc3cc(C#N)c(C#N)cc3nc1-2
+CN(C)c1cc2ccccc2cc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
+CN(C)c1cc2ccccc2cc1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
+CN(C)c1ccc2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc2c1
+CN1c2ccccc2N(C)c2c(-c3ccc4c5c(cccc35)-c3nc5cc(C#N)c(C#N)cc5nc3-4)cccc21
+CN1c2ccccc2N(C)c2cc(-c3cc4c5c(cccc5c3)-c3nc5cc(C#N)c(C#N)cc5nc3-4)ccc21
+CN1c2ccccc2Oc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21
+CN1c2ccccc2Oc2ccc(-c3ccc4cccc5c4c3-c3nc4cc(C#N)c(C#N)cc4nc3-5)cc21
+N#Cc1cc2nc3c(nc2c(-c2c(-c4ccccc4)cc4c5c2CCCN5CCC4)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cc4nc5cc[nH]c5nc4o2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4c(c2)[nH]c2ccc5c6ccccc6[nH]c5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4c(c2)[nH]c2ccncc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4c5c2CCCN5CCC4)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4ccoc4c2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4ocnc4c2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2ccc4[nH]c5[nH]c6ccccc6c5c4c2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4c(=O)cc[nH]c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4c2ncc2ccccc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4c2[nH]c2cnccc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4c5ccccc5c5nc[nH]c5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4cnc5ccccc5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4occc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4[nH]c5ccccc5c(=O)c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2cccc4[nH]ccc(=O)c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2nccc4c2[nH]c2ccccc24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-c2nccc4[nH]c5ccncc5c24)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-n2-c4ccccc4CCc4ccccc4-2)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-n2ccc(=O)c4ccccc42)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2c(-n2ccc4nc5ccoc5nc42)c1C#N)-c1cccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cc4c5ccccc5[nH]c4c4c2[nH]c2ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cc4ccccc4o2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cc4nc5ccoc5nc4[nH]2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc(N)cc2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4c(c2)CCc2ccccc2-[nH]-4)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4c(c2)oc2ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4c(c2)[nH]c2ccncc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4c(n2)oc2ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4c(n2)sc2ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4ccoc4c2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4occc4c2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2ccc4[nH]c5ccc6c7ccccc7[nH]c6c5c4c2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4c(=O)cc[nH]c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4c5ccccc5c5nc[nH]c5c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4c5nccnc5c5ccccc5c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4ccsc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2cccc4[nH]ccc(=O)c24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2coc4ccccc24)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-c2c[nH]c(=O)[nH]2)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-n2c4ccccc4c4c5ccccc5[nH]c42)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1c(-n2cc[nH]c2=O)ccc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cc(F)c(F)c(F)c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cc4nc5cc[nH]c5nc4o2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4c(c2)CCc2ccccc2-[nH]-4)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4ocnc4c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4[nH]c5ccc6c7ccccc7[nH]c6c5c4c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2ccc4[nH]ccc(=O)c4c2)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4c2cnc2ccccc24)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4c2Oc2ccccc2O4)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4ncsc24)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-c2cccc4sccc24)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-n2c4ccccc4c4ccc5[nH]c6ccccc6c5c42)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1cc(-n2ccc4nc5ccoc5nc42)cc2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2c4ccoc4cc4ccoc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cc4cc5cc[nH]c5cc4o2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(c2)c2ccccc2c2nc[nH]c42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(c2)c2ccccc2c2[nH]cnc42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(c2)[nH]c2cnccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4c(n2)sc2ncccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4oc5ccccc5c4c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4ocnc4c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccc4[nH]c5[nH]c6ccccc6c5c4c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc(N(c4ccccc4)c4ccccc4)c2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4c(=O)cc[nH]c24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4c2[nH]c2c4ccc4[nH]c5ccccc5c42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4c2[nH]c2cnccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4oc5ccccc5c24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cccc4scnc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccnc4sc5ncccc5c24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2ccnnc2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2cncc4c2[nH]c2ccccc24)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2nc4cc5scnc5cc4s2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-c2nc4ccccc4s2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-n2-c4ccccc4-s-c4ccccc4-2)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-n2ccc4cc5ccoc5cc42)c2cccc-3c12
+N#Cc1cc2nc3c(nc2cc1C#N)-c1ccc(-n2cnc4c5ccccc5c5ccccc5c42)c2cccc-3c12
+O=c1c2ccccc2n(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc12
+O=c1c2ccccc2[nH]c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc12
+O=c1c2ccccc2[nH]c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc12
+O=c1ccn(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc12
+c1ccc(-c2cncc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
+c1ccc(-c2cncc(-n3-c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc4-3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4C4(c5ccccc5)c5ccccc5-[nH]-c5ccccc54)c3)n2)cc1
+c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)n2)cc1
+c1ccc(-c2nccnc2-c2ccc3c(c2)-[nH]-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
+c1ccc(-c2nccnc2-c2ccccc2C2(c3ccccc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cc5cc6occc6cc5o4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cc5[nH]ccc5cn4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccc5c(c4)Oc4cccc6c4B5c4ccccc4O6)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccc5c6c4Oc4ccccc4B6c4ccccc4O5)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccnc5c4ccc4cccnc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4ccnc5[nH]c6ccccc6c45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cnc5nccnc5n4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4cncc5[nH]c6ccccc6c45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4csc5ccccc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4c[nH]c5nc6occc6nc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4nc5ccccc5c5ccccc45)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccc(-c4nc5nc6nc[nH]c6nc5[nH]4)cc3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4c5[nH]cnc5nc5nc[nH]c45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cc5c(cn4)[nH]c4ccccc45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cc5cc6occc6cc5o4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5c6c4Oc4ccccc4B6c4ccccc4O5)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5ncccc5n4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccc5sc6ccccc6c5c4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cccc5c4[nH]c4ncccc45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cccc5sc6ccccc6c45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cccnc4-c4ccccn4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4ccnc5[nH]c6ccccc6c45)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cnc5nccnc5n4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-c4cnoc4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3cccc(-n4nnc5ccccc54)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-n(-c3ccc4c(c3)Oc3cccc5c3B4c3ccccc3O5)-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-n(-c3ncno3)-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-n(-c3ncon3)-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cc5nc6cc[nH]c6nc5o4)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cc5[nH]ccc5cn4)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4ccc5ncoc5c4)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4ccc5[nH]c6cnccc6c5c4)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cccc(-c5cnccn5)c4)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cccc5nn[nH]c45)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4ccnc5c4ccc4cccnc45)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-c4cncc5c4[nH]c4ccncc45)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-n4c5ccccc5c5cccnc54)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-n4ccc5nc6ccoc6nc54)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3c(-n4cnc5cc6nc[nH]c6cc54)cccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4c5[nH]cnc5cc5nc[nH]c45)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4cc5nc6ccoc6nc5[nH]4)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4cccc(-c5cnccn5)c4)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4cccc5c4[nH]c4ncccc45)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4ccccc4-c4cnccn4)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4ccnc5[nH]c6ccccc6c45)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4ccon4)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4cncs4)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4coc5cc6ccoc6cc45)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-c4coc5nc6[nH]ccc6nc45)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cc(-n4cnc5nc6nc[nH]c6nc54)ccc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4c5[nH]cnc5cc5nc[nH]c45)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4c5[nH]cnc5nc5nc[nH]c45)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cc5ccccc5s4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4ccc(-c5cnccn5)cc4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4ccc5nn[nH]c5c4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4ccc5[nH]nnc5c4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cccc(-c5cnccn5)c4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cccc5c4Oc4cccc6c4B5c4ccccc4O6)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cccc5c4[nH]c4ncccc45)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cccc5nn[nH]c45)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cccc5[nH]c6ncccc6c45)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cccc5[nH]nnc45)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cnc5c(ccc6cccnc65)c4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccc(-c4cnc5ccccc5n4)cc32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4ccc5c6c4Oc4ccccc4B6c4ccccc4O5)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4ccc5ccsc5c4)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4ccc5[nH]nnc5c4)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4cccc(-c5cnccn5)c4)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4cccc5c4cnc4ccccc45)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4cccc5c4sc4ccccc45)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4cccc5[nH]c6cnccc6c45)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4ccno4)c32)cc1
+c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3cccc(-c4cnc5c(ccc6cccnc65)c4)c32)cc1
+c1ccc(C2(c3ccccc3-c3cc4cnccc4[nH]3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3ccc4c(c3)B3c5ccccc5Oc5cccc(c53)O4)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3ccc4cccnc4n3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3ccc4nn[nH]c4c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3cccc4sc5ccccc5c34)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3ccnc(-c4ccccn4)c3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3nc4cc5ncoc5nc4o3)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3nc4ccccc4c4ccccc34)c3ccccc3-[nH]-c3ccccc32)cc1
+c1ccc(C2(c3ccccc3-c3nccs3)c3ccccc3-[nH]-c3ccccc32)cc1
+CC(=O)c1cccc(-n2-c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc3-2)c1
+CC(=O)c1ccccc1-c1cccc2c1-[nH]-c1ccccc1C2(c1ccccc1)c1ccccc1
+Cc1-c2ccccc2-c2cc(-c3ccccc3C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)ccc2-1
+Cc1-c2ccccc2-c2cc(-n3-c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc4-3)ccc2-1
+Cc1-c2ccccc2-c2ccc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2-1
+Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccccc3-n3-c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc4-3)n2)cc1
+Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
+Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(F)cc3-n3-c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc4-3)n2)cc1
+N#Cc1cc(C#N)c(-c2ccccc2C2(c3ccccc3)c3ccccc3-[nH]-c3ccccc32)c(C#N)c1
+N#Cc1cc2nc3c(nc2c(-c2cccc4c2C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-4)c1C#N)-c1cccc2cccc-3c12
+N#Cc1ccc(-c2ccc3c(c2)-[nH]-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
+N#Cc1ccc(-n2-c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc3-2)c(C#N)c1C#N
+N#Cc1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)cc2)c1
+N#Cc1cccc(C#N)c1-c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccccc32)cc1
+N#Cc1ccccc1-c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-[nH]-2
+N#Cc1cnc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)nc1
+O=C(c1ccc(-c2ccc3c(c2)-[nH]-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)c1
+O=C(c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1)c1cccc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)c1
+O=C(c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)c1)C(F)(F)F
+O=C(c1cccc(-c2cccc3c2-[nH]-c2ccccc2C3(c2ccccc2)c2ccccc2)c1)C(F)(F)F
+O=C(c1ccccc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)c(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-[nH]-5)c3)n2)cc1
+O=C(c1ccccc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)c(-c4cccc5c4-[nH]-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)n2)cc1
+O=C(c1ccccc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
+O=C(c1ccccc1-c1ccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccccc32)cc1)C(F)(F)F
+O=C(c1ccccc1-c1cccc2c1-[nH]-c1ccccc1C2(c1ccccc1)c1ccccc1)C(F)(F)F
+O=C(c1ccccc1-n1-c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc2-1)C(F)(F)F
+O=c1c(-c2ccccc2C2(c3ccccc3)c3ccccc3-[nH]-c3ccccc32)c[nH]c2ccccc12
+O=C1c2ccccc2C(=O)n1-c1cccc(C2(c3ccccc3)c3ccccc3-[nH]-c3ccccc32)c1
+O=C1c2ccccc2C(=O)n1-c1cccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-[nH]-2
+O=C1c=c(-c2ccc(C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)cc2)C(=O)[nH]1
+O=C1c=c(-n2-c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc3-2)C(=O)[nH]1
+O=c1cc(-c2cccc(C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)c2)[nH]c2ccccc12
+O=c1cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)[nH]c2ccccc12
+O=c1ccn(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)c2ccccc12
+O=c1ccn(-c2cccc(C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)c2)c2ccccc12
+O=c1ccn(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-[nH]-3)c2ccccc12
+O=c1cc[nH]c2c(-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-[nH]-4)cccc12
+O=c1cc[nH]c2c(-c3ccccc3C3(c4ccccc4)c4ccccc4-[nH]-c4ccccc43)cccc12
+O=C1[nH]C(=O)c2cc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
+O=s1(=O)-c2ccccc2-c2c(-c3cccc4c3-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc2-1
+O=s1(=O)-c2ccccc2-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-[nH]-4)ccc2-1
+O=s1(=O)-c2ccccc2-c2ccc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2-1
+O=s1(=O)-c2ccccc2-c2cccc(-c3ccc4c(c3)-[nH]-c3ccccc3C4(c3ccccc3)c3ccccc3)c2-1
+O=s1(=O)-c2ccccc2-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-[nH]-4)c2-1
diff --git a/TADF/TADF_f/Test_f.png b/TADF/TADF_f/Test_f.png
new file mode 100644
index 000000000..4cc6be114
Binary files /dev/null and b/TADF/TADF_f/Test_f.png differ
diff --git a/TADF/TADF_f/config/f.yaml b/TADF/TADF_f/config/f.yaml
new file mode 100644
index 000000000..07ee96a29
--- /dev/null
+++ b/TADF/TADF_f/config/f.yaml
@@ -0,0 +1,82 @@
+defaults: #
+  - ppsci_default #
+  - TRAIN: train_default #
+  - EVAL: eval_default #
+#  - INFER: infer_default #
+  - _self_ #
+
+hydra:
+  run:
+    # dynamic output directory according to running time and override name
+    dir: outputs_f/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname} #
+  job:
+    name: ${mode} # name of logfile
+    chdir: false # keep current working directory unchanged
+  callbacks:
+    init_callback: #
+      _target_: ppsci.utils.callbacks.InitCallback #
+  sweep:
+    # output directory for multirun
+    dir: ${hydra.run.dir}
+    subdir: ./
+
+# general settings
+mode: eval # running mode: train/eval #
+seed: 42 #
+output_dir: ${hydra:run.dir} #
+log_freq: 20 #
+use_tbd: false #
+VIV_DATA_PATH: "./f.dat" #
+
+# model settings
+MODEL: #
+#  input_keys: tuple(x.keys()) #
+  output_keys: ["u"] #
+#  num_layers: None #
+#  hidden_size:
+#    - 587
+#    - 256 #
+  activation: "relu" #
+  dropout: 0.5
+
+# training settings
+TRAIN: #
+  epochs: 200 #
+  iters_per_epoch: 20 #
+  save_freq: 100 #
+  eval_during_train: False #
+  batch_size: 8 #
+  learning_rate: 0.0001
+  save_model_path: './f_model.pth'
+  weight_decay: 1e-5
+  pretrained_model_path: null #
+  checkpoint_path: null #
+  k: 9
+  i: 2
+
+# evaluation settings
+EVAL:
+  test_size: 0.1
+  load_model_path: './f_model.pth'
+  seed: 20
+#  pretrained_model_path: null #
+#  batch_size: 32 #
+
+# inference settings
+#INFER: #
+#  pretrained_model_path: "https://github.com/YfB1125/PaddleScience/blob/dev_model/TADF/f/output/checkpoints/latest.pdparams" #
+#  export_path: ./inference/viv #
+#  pdmodel_path: ${INFER.export_path}.pdmodel #
+#  pdiparams_path: ${INFER.export_path}.pdiparams #
+#  input_keys: ${MODEL.input_keys} #
+#  output_keys: ["u"]  #
+#  device: cpu #
+#  engine: native #
+#  precision: fp32 #
+#  ir_optim: true #
+#  min_subgraph_size: 10 #
+#  gpu_mem: 4000 #
+#  gpu_id: 0 #
+#  max_batch_size: 64 #
+#  num_cpu_threads: 4 #
+#  batch_size: 16 #
diff --git a/TADF/TADF_f/f_model.pth b/TADF/TADF_f/f_model.pth
new file mode 100644
index 000000000..0963492e2
Binary files /dev/null and b/TADF/TADF_f/f_model.pth differ
diff --git a/TADF/TADF_f/f_ppsci.py b/TADF/TADF_f/f_ppsci.py
new file mode 100644
index 000000000..48cc77f01
--- /dev/null
+++ b/TADF/TADF_f/f_ppsci.py
@@ -0,0 +1,178 @@
+import os
+
+import hydra
+import matplotlib.pyplot as plt
+import numpy as np
+import paddle
+import rdkit.Chem as Chem
+from omegaconf import DictConfig
+from rdkit.Chem import AllChem
+from sklearn.decomposition import PCA
+from sklearn.metrics import r2_score
+from sklearn.model_selection import train_test_split
+
+import ppsci
+
+os.environ["HYDRA_FULL_ERROR"] = "1"
+os.environ["KMP_DUPLICATE_LIB_OK"] = "True"
+plt.rcParams["axes.unicode_minus"] = False
+plt.rcParams["font.sans-serif"] = ["DejaVu Sans"]
+paddle.set_device("cpu")
+
+# 加载数据集
+data = []
+for line in open("../f/f.dat"):
+    num = float(line.strip())
+    data.append(num)
+smis = []
+for line in open("../f/smis.txt"):
+    smis.append(line.strip())
+vectors = []
+del_mol = []
+for num in smis:
+    mol = Chem.MolFromSmiles(num)
+    try:
+        fp = AllChem.GetMorganFingerprintAsBitVect(mol, radius=2, nBits=2048)
+        _input = np.array(list(map(float, fp.ToBitString())))
+        vectors.append(_input)
+    except Exception:
+        del_mol.append(num)
+pca = PCA(n_components=0.99)
+pca.fit(vectors)
+Xlist = paddle.to_tensor(pca.transform(vectors))
+
+
+def train(cfg: DictConfig):
+    # 划分数据集
+    def k_fold(k, i, X, Y):
+        fold_size = tuple(X.shape)[0] // k
+        val_start = i * fold_size
+        if i != k - 1:
+            val_end = (i + 1) * fold_size
+            x_val, y_val = X[val_start:val_end], Y[val_start:val_end]
+            x_train = np.concatenate((X[0:val_start], X[val_end:]), axis=0)
+            y_train = np.concatenate((Y[0:val_start], Y[val_end:]), axis=0)
+        else:
+            x_val, y_val = X[val_start:], Y[val_start:]
+            x_train = X[0:val_start]
+            y_train = Y[0:val_start]
+        return x_train, y_train, x_val, y_val
+
+    x_train, y_train, x_test, y_test = k_fold(cfg.TRAIN.k, cfg.TRAIN.i, Xlist, data)
+    # 处理数据集
+    x_train = paddle.to_tensor(x_train, dtype="float32")
+    x = {
+        "key_{}".format(i): paddle.unsqueeze(
+            paddle.to_tensor(x_train[:, i], dtype="float32"), axis=1
+        )
+        for i in range(x_train.shape[1])
+    }
+    y_train = paddle.unsqueeze(paddle.to_tensor(y_train, dtype="float32"), axis=1)
+
+    # 构建约束
+    bc_sup = ppsci.constraint.SupervisedConstraint(
+        dataloader_cfg={
+            "dataset": {
+                "input": x,
+                "label": {"u": y_train},
+                "name": "IterableNamedArrayDataset",
+            },
+            "batch_size": cfg.TRAIN.batch_size,
+        },
+        loss=ppsci.loss.MSELoss("mean"),
+        name="bc_sup",
+    )
+    # 设置模型
+    hidden_size = [587, 256]
+    num_layers = None
+
+    # 实例化模型
+    model = ppsci.arch.DNN(
+        input_keys=tuple(x.keys()),
+        hidden_size=hidden_size,
+        num_layers=num_layers,
+        **cfg.MODEL,
+    )
+    optimizer = ppsci.optimizer.optimizer.Adam(
+        cfg.TRAIN.learning_rate,
+        beta1=(0.9, 0.99)[0],
+        beta2=(0.9, 0.99)[1],
+        weight_decay=cfg.TRAIN.weight_decay,
+    )(model)
+    # 构建Solver
+    solver = ppsci.solver.Solver(
+        model,
+        constraint={
+            "bc_sup": bc_sup,
+        },
+        optimizer=optimizer,
+        epochs=cfg.TRAIN.epochs,
+        eval_during_train=False,
+        iters_per_epoch=cfg.TRAIN.iters_per_epoch,
+        seed=cfg.seed,
+    )
+    try:
+        solver.train()
+    except Exception as ex:
+        print(ex)
+    paddle.save(model.state_dict(), cfg.TRAIN.save_model_path)
+
+
+# 进行测试
+def eval(cfg: DictConfig):
+    # 重新划分数据集
+    x_train, x_test, y_train, y_test = train_test_split(
+        Xlist, data, test_size=cfg.EVAL.test_size, random_state=cfg.EVAL.seed
+    )
+    x = {
+        "key_{}".format(i): paddle.unsqueeze(
+            paddle.to_tensor(x_test[:, i], "float32"), axis=1
+        )
+        for i in range(x_test.shape[1])
+    }
+    hidden_size = [587, 256]
+    num_layers = None
+    model = ppsci.arch.DNN(
+        input_keys=tuple(x.keys()),
+        hidden_size=hidden_size,
+        num_layers=num_layers,
+        **cfg.MODEL,
+    )
+    model.set_state_dict(paddle.load(cfg.EVAL.load_model_path))
+    ytest = paddle.unsqueeze(paddle.to_tensor(y_test, dtype="float32"), axis=1)
+    ypred = model(x)
+    ytest = {"u": ytest}
+
+    # 计算损失
+    loss = ppsci.metric.MAE()
+    MAE = loss(ypred, ytest).get("u").numpy()
+    loss = ppsci.metric.RMSE()
+    RMSE = loss(ypred, ytest).get("u").numpy()
+    ypred = ypred.get("u").numpy()
+    ytest = ytest.get("u").numpy()
+    R2 = r2_score(ytest, ypred)
+    print("MAE", MAE)
+    print("RMSE", RMSE)
+    print("R2", R2)
+
+    # 可视化
+    plt.scatter(ytest, ypred, s=15, color="royalblue", marker="s", linewidth=1)
+    plt.plot([ytest.min(), ytest.max()], [ytest.min(), ytest.max()], "r-", lw=1)
+    plt.legend(title="R²={:.3f}\n\nMAE={:.3f}".format(R2, MAE))
+    plt.xlabel("Test f")
+    plt.ylabel("Predicted f")
+    plt.show()
+
+
+@hydra.main(version_base=None, config_path="./config", config_name="f.yaml")
+def main(cfg: DictConfig):
+    if cfg.mode == "train":
+        train(cfg)
+    elif cfg.mode == "eval":
+        eval(cfg)
+    else:
+        raise ValueError(f"cfg.mode should in ['train', 'eval'], but got '{cfg.mode}'")
+
+
+if __name__ == "__main__":
+    main()
diff --git a/TADF/TADF_f/output/checkpoints/latest.pdopt b/TADF/TADF_f/output/checkpoints/latest.pdopt
new file mode 100644
index 000000000..6ab4ef0e2
Binary files /dev/null and b/TADF/TADF_f/output/checkpoints/latest.pdopt differ
diff --git a/TADF/TADF_f/output/checkpoints/latest.pdparams b/TADF/TADF_f/output/checkpoints/latest.pdparams
new file mode 100644
index 000000000..0963492e2
Binary files /dev/null and b/TADF/TADF_f/output/checkpoints/latest.pdparams differ
diff --git a/TADF/TADF_f/output/checkpoints/latest.pdstates b/TADF/TADF_f/output/checkpoints/latest.pdstates
new file mode 100644
index 000000000..88e75c56b
Binary files /dev/null and b/TADF/TADF_f/output/checkpoints/latest.pdstates differ
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/config.yaml b/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/config.yaml
new file mode 100644
index 000000000..f9e048d06
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/config.yaml
@@ -0,0 +1,43 @@
+mode: eval
+output_dir: ${hydra:run.dir}
+log_freq: 20
+seed: 42
+use_vdl: false
+use_tbd: false
+wandb_config: null
+use_wandb: false
+device: gpu
+use_amp: false
+amp_level: O1
+to_static: false
+prim: false
+log_level: info
+TRAIN:
+  epochs: 200
+  iters_per_epoch: 20
+  update_freq: 1
+  save_freq: 100
+  eval_during_train: false
+  start_eval_epoch: 1
+  eval_freq: 1
+  checkpoint_path: null
+  pretrained_model_path: null
+  ema: null
+  swa: null
+  batch_size: 8
+  learning_rate: 0.0001
+  save_model_path: ./model.pth
+EVAL:
+  pretrained_model_path: null
+  eval_with_no_grad: false
+  compute_metric_by_batch: false
+  batch_size: 256
+  test_size: 0.1
+  load_model_path: ./model.pth
+INFER: null
+VIV_DATA_PATH: ./f.dat
+MODEL:
+  output_keys:
+  - u
+  activation: relu
+  dropout: 0.5
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/hydra.yaml b/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/hydra.yaml
new file mode 100644
index 000000000..9c53105e9
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/hydra.yaml
@@ -0,0 +1,158 @@
+hydra:
+  run:
+    dir: outputs_f/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][HYDRA] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    loggers:
+      logging_example:
+        level: DEBUG
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task: []
+  job:
+    name: ${mode}
+    chdir: false
+    override_dirname: ''
+    id: ???
+    num: ???
+    config_name: f_ppsci.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: C:\Users\41541\TADF\TADF_f
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: C:\Users\41541\TADF\f\config
+      schema: file
+      provider: main
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: C:\Users\41541\TADF\TADF_f\outputs_f\2024-10-16\01-47-52
+    choices:
+      EVAL: eval_default
+      TRAIN: train_default
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: default
+      hydra/hydra_logging: default
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/overrides.yaml b/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/overrides.yaml
new file mode 100644
index 000000000..fe51488c7
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/01-47-52/.hydra/overrides.yaml
@@ -0,0 +1 @@
+[]
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/config.yaml b/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/config.yaml
new file mode 100644
index 000000000..295b5bade
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/config.yaml
@@ -0,0 +1,47 @@
+mode: train
+output_dir: ${hydra:run.dir}
+log_freq: 20
+seed: 42
+use_vdl: false
+use_tbd: false
+wandb_config: null
+use_wandb: false
+device: gpu
+use_amp: false
+amp_level: O1
+to_static: false
+prim: false
+log_level: info
+TRAIN:
+  epochs: 200
+  iters_per_epoch: 20
+  update_freq: 1
+  save_freq: 100
+  eval_during_train: false
+  start_eval_epoch: 1
+  eval_freq: 1
+  checkpoint_path: null
+  pretrained_model_path: null
+  ema: null
+  swa: null
+  batch_size: 8
+  learning_rate: 0.0001
+  save_model_path: ./f_model.pth
+  weight_decay: 1.0e-05
+  k: 9
+  i: 2
+EVAL:
+  pretrained_model_path: null
+  eval_with_no_grad: false
+  compute_metric_by_batch: false
+  batch_size: 256
+  test_size: 0.1
+  load_model_path: ./f_model.pth
+  seed: 20
+INFER: null
+VIV_DATA_PATH: ./f.dat
+MODEL:
+  output_keys:
+  - u
+  activation: relu
+  dropout: 0.5
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/hydra.yaml b/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/hydra.yaml
new file mode 100644
index 000000000..a19c9cf1c
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/hydra.yaml
@@ -0,0 +1,158 @@
+hydra:
+  run:
+    dir: outputs_f/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][HYDRA] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    loggers:
+      logging_example:
+        level: DEBUG
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task: []
+  job:
+    name: ${mode}
+    chdir: false
+    override_dirname: ''
+    id: ???
+    num: ???
+    config_name: f.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: C:\Users\41541\TADF\TADF_f
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: C:\Users\41541\TADF\TADF_f\config
+      schema: file
+      provider: main
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: C:\Users\41541\TADF\TADF_f\outputs_f\2024-10-16\01-51-44
+    choices:
+      EVAL: eval_default
+      TRAIN: train_default
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: default
+      hydra/hydra_logging: default
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/overrides.yaml b/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/overrides.yaml
new file mode 100644
index 000000000..fe51488c7
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/01-51-44/.hydra/overrides.yaml
@@ -0,0 +1 @@
+[]
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/config.yaml b/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/config.yaml
new file mode 100644
index 000000000..7a70d334b
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/config.yaml
@@ -0,0 +1,47 @@
+mode: eval
+output_dir: ${hydra:run.dir}
+log_freq: 20
+seed: 42
+use_vdl: false
+use_tbd: false
+wandb_config: null
+use_wandb: false
+device: gpu
+use_amp: false
+amp_level: O1
+to_static: false
+prim: false
+log_level: info
+TRAIN:
+  epochs: 200
+  iters_per_epoch: 20
+  update_freq: 1
+  save_freq: 100
+  eval_during_train: false
+  start_eval_epoch: 1
+  eval_freq: 1
+  checkpoint_path: null
+  pretrained_model_path: null
+  ema: null
+  swa: null
+  batch_size: 8
+  learning_rate: 0.0001
+  save_model_path: ./f_model.pth
+  weight_decay: 1.0e-05
+  k: 9
+  i: 2
+EVAL:
+  pretrained_model_path: null
+  eval_with_no_grad: false
+  compute_metric_by_batch: false
+  batch_size: 256
+  test_size: 0.1
+  load_model_path: ./f_model.pth
+  seed: 20
+INFER: null
+VIV_DATA_PATH: ./f.dat
+MODEL:
+  output_keys:
+  - u
+  activation: relu
+  dropout: 0.5
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/hydra.yaml b/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/hydra.yaml
new file mode 100644
index 000000000..b3d6b78f2
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/hydra.yaml
@@ -0,0 +1,158 @@
+hydra:
+  run:
+    dir: outputs_f/${now:%Y-%m-%d}/${now:%H-%M-%S}/${hydra.job.override_dirname}
+  sweep:
+    dir: ${hydra.run.dir}
+    subdir: ./
+  launcher:
+    _target_: hydra._internal.core_plugins.basic_launcher.BasicLauncher
+  sweeper:
+    _target_: hydra._internal.core_plugins.basic_sweeper.BasicSweeper
+    max_batch_size: null
+    params: null
+  help:
+    app_name: ${hydra.job.name}
+    header: '${hydra.help.app_name} is powered by Hydra.
+
+      '
+    footer: 'Powered by Hydra (https://hydra.cc)
+
+      Use --hydra-help to view Hydra specific help
+
+      '
+    template: '${hydra.help.header}
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (group=option)
+
+
+      $APP_CONFIG_GROUPS
+
+
+      == Config ==
+
+      Override anything in the config (foo.bar=value)
+
+
+      $CONFIG
+
+
+      ${hydra.help.footer}
+
+      '
+  hydra_help:
+    template: 'Hydra (${hydra.runtime.version})
+
+      See https://hydra.cc for more info.
+
+
+      == Flags ==
+
+      $FLAGS_HELP
+
+
+      == Configuration groups ==
+
+      Compose your configuration from those groups (For example, append hydra/job_logging=disabled
+      to command line)
+
+
+      $HYDRA_CONFIG_GROUPS
+
+
+      Use ''--cfg hydra'' to Show the Hydra config.
+
+      '
+    hydra_help: ???
+  hydra_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][HYDRA] %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+    root:
+      level: INFO
+      handlers:
+      - console
+    loggers:
+      logging_example:
+        level: DEBUG
+    disable_existing_loggers: false
+  job_logging:
+    version: 1
+    formatters:
+      simple:
+        format: '[%(asctime)s][%(name)s][%(levelname)s] - %(message)s'
+    handlers:
+      console:
+        class: logging.StreamHandler
+        formatter: simple
+        stream: ext://sys.stdout
+      file:
+        class: logging.FileHandler
+        formatter: simple
+        filename: ${hydra.runtime.output_dir}/${hydra.job.name}.log
+    root:
+      level: INFO
+      handlers:
+      - console
+      - file
+    disable_existing_loggers: false
+  env: {}
+  mode: RUN
+  searchpath: []
+  callbacks:
+    init_callback:
+      _target_: ppsci.utils.callbacks.InitCallback
+  output_subdir: .hydra
+  overrides:
+    hydra:
+    - hydra.mode=RUN
+    task: []
+  job:
+    name: ${mode}
+    chdir: false
+    override_dirname: ''
+    id: ???
+    num: ???
+    config_name: f.yaml
+    env_set: {}
+    env_copy: []
+    config:
+      override_dirname:
+        kv_sep: '='
+        item_sep: ','
+        exclude_keys: []
+  runtime:
+    version: 1.3.2
+    version_base: '1.3'
+    cwd: C:\Users\41541\TADF\TADF_f
+    config_sources:
+    - path: hydra.conf
+      schema: pkg
+      provider: hydra
+    - path: C:\Users\41541\TADF\TADF_f\config
+      schema: file
+      provider: main
+    - path: ''
+      schema: structured
+      provider: schema
+    output_dir: C:\Users\41541\TADF\TADF_f\outputs_f\2024-10-16\02-56-33
+    choices:
+      EVAL: eval_default
+      TRAIN: train_default
+      hydra/env: default
+      hydra/callbacks: null
+      hydra/job_logging: default
+      hydra/hydra_logging: default
+      hydra/hydra_help: default
+      hydra/help: default
+      hydra/sweeper: basic
+      hydra/launcher: basic
+      hydra/output: default
+  verbose: false
diff --git a/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/overrides.yaml b/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/overrides.yaml
new file mode 100644
index 000000000..fe51488c7
--- /dev/null
+++ b/TADF/TADF_f/outputs_f/2024-10-16/02-56-33/.hydra/overrides.yaml
@@ -0,0 +1 @@
+[]
diff --git "a/TADF/TADF\346\235\220\346\226\231\345\210\206\345\255\220\347\255\233\351\200\211-\350\257\264\346\230\216.md" "b/TADF/TADF\346\235\220\346\226\231\345\210\206\345\255\220\347\255\233\351\200\211-\350\257\264\346\230\216.md"
new file mode 100644
index 000000000..f92451468
--- /dev/null
+++ "b/TADF/TADF\346\235\220\346\226\231\345\210\206\345\255\220\347\255\233\351\200\211-\350\257\264\346\230\216.md"
@@ -0,0 +1,280 @@
+# 化学领域-分子性质预测
+## 1.背景简介
+有机发光二极管（OLED）具有高效率、结构灵活和低成本的优势，在先进显示和照明技术中受到广泛关注。在有机发光二极管器件中，电注入载流子以1：3的比例形成单线态和三线态激子。以纯荧光材料为发光材料构建的OLED发光效率IQE理论极限为25%。另一方面，有机金属复合物发光材料通过引入稀有金属（Ir，Pt等）带来强自旋轨道耦合（SOC），可以将单线态激子通过系间窜越过程转化成三线态激子，从而利用三线态激子发出磷光，其IQE可达100%，但是稀有金属价格昂贵，为推广使用带来了阻碍。热活化延迟荧光材料（TADF）为解决这些问题提供了新思路，并引起了广泛关注。在TADF中，三线态通过逆系间窜越过程（RISC）转化成单重态并发出荧光，从而实现100%的IQE，而RISC过程很大程度上取决于最低单线态（S1）和最低三线态（T1） 之间的能隙（ΔEST）。根据量子力学理论，ΔEST相当于HOMO和LUMO之间的交换积分的两倍。因此TADF分子的常见设计策略是将电子供体（D）和电子受体（A）以明显扭曲的二面角结合以实现HOMO和LUMO在空间上明显的分离。然而，与ΔEST相反，振子强度（f）需要较大的HOMO和LUMO之间的重叠积分，这二者之间的矛盾需要进一步平衡。
+##  2.功能目标
+通过高通量计算构建数据集，使用分子指纹作为模型输入，实现对于TADF材料分子性质的无计算预测。
+
+## 3.数据库构建
+我们选择常用的49个受体和50个受体以单键相连的方式进行组合，通过穷举所有可能的组合位点我们得到了44470个分子。通过MMFF94力场优化得到分子的初始结构。从44470个分子中随机提取5136个分子，在B3LYP/6-31G（d）水平下对5136个分子进行基态结构优化，采用TDDFT方法在基态构型下进行激发态性质计算。主要数据在data目录下。
+
+## 4.模型构建
+深度神经网络为含有两层隐藏层的神经网络，第一层隐藏层含有587个神经元，第二层隐藏层含有256个神经元，隐藏层之间加入Dropout。
+
+```
+    class Net(nn.Layer):
+
+        def __init__(self):
+            super(Net, self).__init__()
+            self.fc1 = paddle.nn.Linear(in_features=587, out_features=587)
+            self.fc2 = paddle.nn.Linear(in_features=587, out_features=256)
+            self.fc3 = paddle.nn.Linear(in_features=256, out_features=1)
+            self.dropout = paddle.nn.Dropout(p=0.5)
+            self.relu = paddle.nn.ReLU()
+
+        def forward(self, _input):
+            x = self.fc1(_input)
+            x = self.relu(x)
+            x = self.dropout(x)
+            x = self.fc2(x)
+            x = self.relu(x)
+            x = self.dropout(x)
+            x = self.fc3(x)
+            output = self.relu(x)
+            return output.squeeze(axis=-1)
+        def initialize(self):
+            """初始化权重"""
+            for m in self.sublayers():
+                if isinstance(m, nn.Linear):
+                    paddle.nn.initializer.XavierNormal()(m.weight)
+```
+## 5.模型训练
+
+```
+def train(model,X_train,Y_train,X_val,Y_val,batchsize,lr,epochs):
+    train_loader = paddle.io.DataLoader(Mydataset(X_train,Y_train), batch_size=batchsize, shuffle=True, num_workers=0)
+    loss_func = paddle.nn.MSELoss()
+    optimizer = paddle.optimizer.Adam(parameters=model.parameters(),learning_rate=lr,beta1=(0.9, 0.99)[0],
+                                      beta2=(0.9, 0.99)[1],weight_decay=1e-5)
+    train_Loss =[]
+    val_Loss = []
+    for epoch in range(epochs):
+        model.train()
+        train_loss = 0.
+        print(epoch)
+        for i,data in enumerate(train_loader):
+            input_,tar = data
+            output = model(input_)
+            loss = loss_func(output,tar)
+            rmse = paddle.sqrt(loss)
+            optimizer.clear_grad()
+            rmse.backward()
+            optimizer.step()
+            train_loss += loss.item()
+        train_loss *= batchsize
+        train_loss /= len(X_train)
+        train_Loss.append(train_loss)
+
+        with paddle.no_grad():
+            val_pre = model(paddle.to_tensor(X_val))
+            #val_pre = val_pre*std+mean
+            val_loss = loss_func(val_pre, paddle.to_tensor(Y_val))
+            val_loss = paddle.sqrt(val_loss)
+            val_loss = val_loss.detach().numpy()
+        val_Loss.append(val_loss)
+
+    return train_Loss,val_Loss
+```
+## 6. 优化器构建
+训练器采用Adam优化器
+```
+optimizer = paddle.optimizer.Adam(parameters=model.parameters(),learning_rate=lr,beta1=(0.9, 0.99)[0],
+                                      beta2=(0.9, 0.99)[1],weight_decay=1e-5)
+```
+## 7. 模型保存
+```
+paddle.save(model.state_dict(), "D://FILE_YFBU//paddle//model//f.pdparams")
+```
+## 8. 完整代码
+```
+\# -*- coding: utf-8 -*-
+"""
+Created on Mon Jun  3 20:20:28 2024
+
+@author: Lenovo
+"""
+
+import paddle
+from paddle import nn
+from paddle.io import Dataset
+from sklearn.model_selection import train_test_split
+from sklearn.decomposition import PCA
+import rdkit
+import rdkit.Chem as Chem
+from rdkit.Chem import AllChem
+import os
+import numpy as np
+import random
+paddle.device.set_device("cpu")
+EPOCHS = 200
+LR =0.0001
+BATCH =8
+
+data = []
+for line in open("D://FILE_YFBU//paddle//data//f.dat"):
+    num = float(line.strip())
+
+    data.append(num)
+
+smis = []
+for line in open("D://FILE_YFBU//paddle//data//smis.txt"):
+    smis.append(line.strip())
+
+vectors = []
+for smi in smis:
+    mol = Chem.MolFromSmiles(smi)
+    fp = AllChem.GetMorganFingerprintAsBitVect(mol,radius=2,nBits=2048)
+    _input = np.array(list(map(float,fp.ToBitString())))
+    vectors.append(_input)
+
+pca = PCA(n_components=0.99)  
+pca.fit(vectors)
+Xlist = pca.transform(vectors)
+f_05_index=[index for index,i in enumerate(data) if float(i) >= 0 ]
+f_10_index=[index for index,i in enumerate(data) if 0.5 > float(i) > 0.05]
+f_20_index=[index for index,i in enumerate(data) if float(i)>0.5]
+f_05 = [data[i] for i in f_05_index]
+vectors_05 = [Xlist[i] for i in f_05_index]
+f_10 = [data[i] for i in f_10_index]
+vectors_10 = [Xlist[i] for i in f_10_index]
+f_20 = [data[i] for i in f_20_index]
+vectors_20 = [Xlist[i] for i in f_20_index]
+xtrain_05,xtest_05,ytrain_05,ytest_05 = train_test_split(vectors_05,f_05,test_size=0.1,random_state=40)
+xtrain_10,xtest_10,ytrain_10,ytest_10 = train_test_split(vectors_10,f_10,test_size=0.1,random_state=20)
+xtrain_20,xtest_20,ytrain_20,ytest_20 = train_test_split(vectors_20,f_20,test_size=0.1,random_state=20)
+xtrain = xtrain_05#+xtrain_10+xtrain_20
+xtest = xtest_05#+xtest_10+xtest_20
+ytrain = ytrain_05#+ytrain_10+ytrain_20
+ytest = ytest_05#+ytest_10+ytest_20
+index = [i for i in range(len(xtrain))]
+random.shuffle(index)
+xtrain = [xtrain[i] for i in index]
+ytrain = [ytrain[i] for i in index]
+
+
+xtrain,xtest,ytrain,ytest = train_test_split(Xlist,data,test_size=0.1,random_state=40)
+
+class Mydataset(Dataset):
+
+    def __init__(self, x, y):
+        super().__init__()
+        self.x = x
+        self.y = y
+        self.src, self.trg = [], []
+        for i in range(len(self.x)):
+            self.src.append(self.x[i])
+            self.trg.append(self.y[i])
+
+    def __getitem__(self, index):
+        return self.src[index], self.trg[index]
+
+    def __len__(self):
+        return len(self.src)
+
+class Net(nn.Layer):
+
+    def __init__(self):
+        super(Net, self).__init__()
+        self.fc1 = paddle.nn.Linear(in_features=587, out_features=587)
+        self.fc2 = paddle.nn.Linear(in_features=587, out_features=256)
+        self.fc3 = paddle.nn.Linear(in_features=256, out_features=1)
+        self.dropout = paddle.nn.Dropout(p=0.5)
+        self.relu = paddle.nn.ReLU()
+
+    def forward(self, _input):
+        x = self.fc1(_input)
+        x = self.relu(x)
+        x = self.dropout(x)
+        x = self.fc2(x)
+        x = self.relu(x)
+        x = self.dropout(x)
+        x = self.fc3(x)
+        output = self.relu(x)
+        return output.squeeze(axis=-1)
+    def initialize(self):
+        """初始化权重"""
+        for m in self.sublayers():
+            if isinstance(m, nn.Linear):
+                paddle.nn.initializer.XavierNormal()(m.weight)
+
+
+def k_fold(k, i, X, Y):
+    fold_size = tuple(X.shape)[0] // k
+    val_start = i * fold_size
+    if i != k - 1:
+        val_end = (i + 1) * fold_size
+        x_val, y_val = X[val_start:val_end], Y[val_start:val_end]
+        # x_train = paddle.concat(x=(X[0:val_start], X[val_end:]), axis=0)
+        # y_train = paddle.concat(x=(Y[0:val_start], Y[val_end:]), axis=0)
+        x_train = np.concatenate((X[0:val_start], X[val_end:]), axis=0)
+        y_train = np.concatenate((Y[0:val_start], Y[val_end:]), axis=0)
+    else:
+        x_val, y_val = X[val_start:], Y[val_start:]
+        x_train = X[0:val_start]
+        y_train = Y[0:val_start]
+    return x_train, y_train, x_val, y_val
+
+def train(model,X_train,Y_train,X_val,Y_val,batchsize,lr,epochs):
+    train_loader = paddle.io.DataLoader(Mydataset(X_train,Y_train), batch_size=batchsize, shuffle=True, num_workers=0)
+    loss_func = paddle.nn.MSELoss()
+    optimizer = paddle.optimizer.Adam(parameters=model.parameters(),learning_rate=lr,beta1=(0.9, 0.99)[0],
+                                      beta2=(0.9, 0.99)[1],weight_decay=1e-5)
+    train_Loss =[]
+    val_Loss = []
+    for epoch in range(epochs):
+        model.train()
+        train_loss = 0.
+        print(epoch)
+        for i,data in enumerate(train_loader):
+            input_,tar = data
+            output = model(input_)
+            loss = loss_func(output,tar)
+            rmse = paddle.sqrt(loss)
+            optimizer.clear_grad()
+            rmse.backward()
+            optimizer.step()
+            train_loss += loss.item()
+        train_loss *= batchsize
+        train_loss /= len(X_train)
+        train_Loss.append(train_loss)
+
+        with paddle.no_grad():
+            val_pre = model(paddle.to_tensor(X_val))
+            #val_pre = val_pre*std+mean
+            val_loss = loss_func(val_pre, paddle.to_tensor(Y_val))
+            val_loss = paddle.sqrt(val_loss)
+            val_loss = val_loss.detach().numpy()
+        val_Loss.append(val_loss)
+
+    return train_Loss,val_Loss
+
+def k_train(model,k,X,Y,batch_size,lr,epochs):
+    train_Loss=[]
+    val_Loss=[]
+    for i in range(k):
+        model.initialize()
+        x_train,y_train,x_val,y_val=k_fold(k, i, X, Y)
+
+        train_loss,val_loss = train(model,x_train,y_train,x_val,y_val,batch_size,lr,epochs)
+
+        train_Loss.append(train_loss[-1])
+        val_Loss.append(val_loss[-1])
+
+    return train_Loss,val_Loss
+
+model = Net().astype(dtype='float64')
+train_losses,val_losses =k_train(model,9, xtrain, ytrain, 32, 0.01, 200) #选择最优验分组
+train_i = val_losses.index(min(val_losses))
+model.initialize()
+x_train,y_train,x_val,y_val=k_fold(9,train_i,xtrain,ytrain) #以最优分组进行划分
+train_loss,val_loss = train(model,x_train,y_train,x_val,y_val,BATCH,LR,EPOCHS) #训练模型
+model.eval()
+paddle.save(model.state_dict(), "D://FILE_YFBU//paddle//model//f.pdparams")
+ytest_pre = model(paddle.to_tensor(xtest))
+ytest_pre = ytest_pre.detach().numpy()
+with open("D://FILE_YFBU//paddle//train//f.txt", 'w') as j:
+    for num in ytest:
+        j.write(str(num) + '\n')
+with open("D://FILE_YFBU//paddle//train//fpre.txt", 'w') as k:
+    for num in ytest_pre:
+        k.write(str(num)+'\n')
+```
diff --git a/ppsci/arch/__init__.py b/ppsci/arch/__init__.py
index b78804280..e971cfdc0 100644
--- a/ppsci/arch/__init__.py
+++ b/ppsci/arch/__init__.py
@@ -57,6 +57,7 @@
 from ppsci.arch.velocitygan import VelocityGenerator  # isort:skip
 from ppsci.arch.moflow_net import MoFlowNet, MoFlowProp  # isort:skip
 from ppsci.utils import logger  # isort:skip
+from ppsci.arch.new_model import DNN  # isort:skip
 
 __all__ = [
     "MoFlowNet",
@@ -73,6 +74,7 @@
     "CVit",
     "CVit1D",
     "CylinderEmbedding",
+    "DNN",
     "DeepONet",
     "DeepPhyLSTM",
     "DGMR",
diff --git a/ppsci/arch/new_model.py b/ppsci/arch/new_model.py
new file mode 100644
index 000000000..e7b8bb13f
--- /dev/null
+++ b/ppsci/arch/new_model.py
@@ -0,0 +1,223 @@
+from ppsci.arch import base
+import paddle
+from ppsci.arch import activation as act_mod
+import paddle.nn as nn
+from typing import Dict
+from typing import Optional
+from typing import Tuple
+from typing import Union
+
+
+class WeightNormLinear(nn.Layer):
+    def __init__(self, in_features: int, out_features: int, bias: bool = True) -> None:
+        super().__init__()
+        self.in_features = in_features
+        self.out_features = out_features
+        self.weight_v = self.create_parameter((in_features, out_features))
+        self.weight_g = self.create_parameter((out_features,))
+        if bias:
+            self.bias = self.create_parameter((out_features,))
+        else:
+            self.bias = None
+        self._init_weights()
+
+    def _init_weights(self) -> None:
+        initializer.xavier_uniform_(self.weight_v)
+        initializer.constant_(self.weight_g, 1.0)
+        if self.bias is not None:
+            initializer.constant_(self.bias, 0.0)
+
+    def forward(self, input):
+        norm = self.weight_v.norm(p=2, axis=0, keepdim=True)
+        weight = self.weight_g * self.weight_v / norm
+        return nn.functional.linear(input, weight, self.bias)
+
+
+class RandomWeightFactorization(nn.Layer):
+    def __init__(
+        self,
+        in_features: int,
+        out_features: int,
+        bias: bool = True,
+        mean: float = 0.5,
+        std: float = 0.1,
+    ):
+        super().__init__()
+        self.in_features = in_features
+        self.out_features = out_features
+        self.weight_v = self.create_parameter((in_features, out_features))
+        self.weight_g = self.create_parameter((out_features,))
+        if bias:
+            self.bias = self.create_parameter((out_features,))
+        else:
+            self.bias = None
+
+        self._init_weights(mean, std)
+
+    def _init_weights(self, mean, std):
+        with paddle.no_grad():
+            initializer.glorot_normal_(self.weight_v)
+
+            nn.initializer.Normal(mean, std)(self.weight_g)
+            paddle.assign(paddle.exp(self.weight_g), self.weight_g)
+            paddle.assign(self.weight_v / self.weight_g, self.weight_v)
+            if self.bias is not None:
+                initializer.constant_(self.bias, 0.0)
+
+        self.weight_g.stop_gradient = False
+        self.weight_v.stop_gradient = False
+        self.bias.stop_gradient = False
+
+    def forward(self, input):
+        return nn.functional.linear(input, self.weight_g * self.weight_v, self.bias)
+
+
+class PeriodEmbedding(nn.Layer):
+    def __init__(self,periods: Dict[str, Tuple[float, bool]]):
+        super().__init__()
+        self.freqs_dict = {
+            k: self.create_parameter(
+                [],
+                attr=paddle.ParamAttr(trainable=trainable),
+                default_initializer=nn.initializer.Constant(2 * np.pi / float(p)),
+            )  # mu = 2*pi / period for sin/cos function
+            for k, (p, trainable) in periods.items()
+        }
+        self.freqs = nn.ParameterList(list(self.freqs_dict.values()))
+
+    def forward(self, x: Dict[str, paddle.Tensor]):
+        y = {k: v for k, v in x.items()}  # shallow copy to avoid modifying input dict
+
+        for k, w in self.freqs_dict.items():
+            y[k] = paddle.concat([paddle.cos(w * x[k]), paddle.sin(w * x[k])], axis=-1)
+
+        return y
+
+
+class FourierEmbedding(nn.Layer):
+    def __init__(self, in_features, out_features, scale):
+        super().__init__()
+        if out_features % 2 != 0:
+            raise ValueError(f"out_features must be even, but got {out_features}.")
+
+        self.kernel = self.create_parameter(
+            [in_features, out_features // 2],
+            default_initializer=nn.initializer.Normal(std=scale),
+        )
+
+    def forward(self, x: paddle.Tensor):
+        y = paddle.concat(
+            [
+                paddle.cos(x @ self.kernel),
+                paddle.sin(x @ self.kernel),
+            ],
+            axis=-1,
+        )
+        return y
+
+class DNN(base.Arch):
+
+	def __init__(
+        self,
+        input_keys: Tuple[str, ...],
+        output_keys: Tuple[str, ...],
+        num_layers: int,
+        hidden_size: Union[int, Tuple[int, ...]],
+        activation: str = "tanh",
+        skip_connection: bool = False,
+        weight_norm: bool = False,
+        input_dim: Optional[int] = None,
+        output_dim: Optional[int] = None,
+        periods: Optional[Dict[int, Tuple[float, bool]]] = None,
+        fourier: Optional[Dict[str, Union[float, int]]] = None,
+        random_weight: Optional[Dict[str, float]] = None,
+		dropout: Optional[float] = 0.5
+    ):
+		super().__init__()
+		self.input_keys = input_keys
+		self.output_keys = output_keys
+		self.linears = []
+		self.acts = []
+		self.periods = periods
+		self.fourier = fourier
+		self.dropout = nn.Dropout(p=dropout)
+		if periods:
+			self.period_emb = PeriodEmbedding(periods)
+
+		if isinstance(hidden_size, (tuple, list)):
+			if num_layers is not None:
+				raise ValueError("num_layers should be None when hidden_size is specified")
+		elif isinstance(hidden_size, int):
+			if not isinstance(num_layers, int):
+				raise ValueError("num_layers should be an int when hidden_size is an int")
+			hidden_size = [hidden_size] * num_layers
+		else:
+			raise ValueError(f"hidden_size should be list of int or int, but got {type(hidden_size)}")
+
+		# initialize FC layer(s)
+		cur_size = len(self.input_keys) if input_dim is None else input_dim
+		if input_dim is None and periods:
+			# period embeded channel(s) will be doubled automatically
+			# if input_dim is not specified
+			cur_size += len(periods)
+
+		if fourier:
+			self.fourier_emb = FourierEmbedding(cur_size, fourier["dim"], fourier["scale"])
+			cur_size = fourier["dim"]
+
+		for i, _size in enumerate(hidden_size):
+			if weight_norm:
+				self.linears.append(WeightNormLinear(cur_size, _size))
+			elif random_weight:
+				self.linears.append(
+					RandomWeightFactorization(cur_size, _size, mean=random_weight["mean"], std=random_weight["std"], ))
+			else:
+				self.linears.append(nn.Linear(cur_size, _size))
+
+			# initialize activation function
+			self.acts.append(
+				act_mod.get_activation(activation) if activation != "stan" else act_mod.get_activation(activation)(
+					_size))
+			# special initialization for certain activation
+			# TODO: Adapt code below to a more elegant style
+			if activation == "siren":
+				if i == 0:
+					act_mod.Siren.init_for_first_layer(self.linears[-1])
+				else:
+					act_mod.Siren.init_for_hidden_layer(self.linears[-1])
+
+			cur_size = _size
+
+		self.linears = nn.LayerList(self.linears)
+		self.acts = nn.LayerList(self.acts)
+		if random_weight:
+			self.last_fc = RandomWeightFactorization(cur_size,
+				len(self.output_keys) if output_dim is None else output_dim, mean=random_weight["mean"],
+				std=random_weight["std"], )
+		else:
+			self.last_fc = nn.Linear(cur_size, len(self.output_keys) if output_dim is None else output_dim, )
+
+		self.skip_connection = skip_connection
+
+
+	def forward(self, x):
+		if self._input_transform is not None:
+			x = self._input_transform(x)
+
+		if self.periods:
+			x = self.period_emb(x)
+
+		y = self.concat_to_tensor(x, self.input_keys, axis=-1)
+
+		if self.fourier:
+			y = self.fourier_emb(y)
+
+		for linear, act in zip(self.linears, self.acts):
+			y = linear(y)
+			y = act(y)
+			y = self.dropout(y)  # Apply dropout after activation function
+		y = self.split_to_dict(y, self.output_keys, axis=-1)
+
+		if self._output_transform is not None:
+			y = self._output_transform(x, y)
+		return y
\ No newline at end of file