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You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H25N3O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H21NO3S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H21NO3S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C10H11N3O3-2
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C10H11N3O3-2
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19FN2O4S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19FN2O4S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H19N7S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H19N7S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H17ClN2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H17ClN2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H21ClN4
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C12H23N3O2
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccoc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C12H23N3O2
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cc[nH]c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H9Cl2N3
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21N5O2S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21N5O2S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H20N2O
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccoc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H20N2O
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cc[nH]c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H20N2O5S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H20N2O5S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19N3O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19N3O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H14BrNO3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H14BrNO3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24N2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24N2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H22Cl2N2O2S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H22Cl2N2O2S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H14N2O5S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H14N2O5S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H14F4N2
Degree of Unsaturation (DoU): 4.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccccc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H14F4N2
Degree of Unsaturation (DoU): 4.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccncc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C22H31NO2S2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C21H29N3O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C21H29N3O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H18N4O3S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H18N4O3S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C22H27NO3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C22H27NO3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H22N2OS
Degree of Unsaturation (DoU): 4.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccccc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H22N2OS
Degree of Unsaturation (DoU): 4.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccncc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C10H14N2O
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C9H10O4-2
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C9H14N6
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H26N2O4S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H26FN3O3
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C21H31NO3
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C21H31NO3
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C23H34O4
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C23H34O4
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H23N7O2
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H23N7O2
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H17N5O2S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H17N5O2S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H20O4
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24N2OS
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24N2OS
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H21NO3S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19F3N4O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19F3N4O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H24O2
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H22N2O2S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H22Cl2N4O2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H22Cl2N4O2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H29N3O2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H17Cl2N3O2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H17Cl2N3O2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H21F3N2O
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H14ClN5
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H14ClN5
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H22O8S
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccoc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H22O8S
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cc[nH]c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H23ClO
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H20N2O4
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H20N2O4
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H22N2O2S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H12BrNO4
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H12BrNO4
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H9FN2O3S2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H13N5O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H15Cl3N2O4S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H15Cl3N2O4S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H25NO3S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H25NO3S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H7BrClN3OS
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H7BrClN3OS
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H19ClN2O2
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C12H17NO2
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H23NO3S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H22N2O3S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H22N2O3S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19FN2O2S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19FN2O2S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H21F2NO3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H21F2NO3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H24ClN3O3
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H24ClN3O3
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H23NO
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H23NO
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
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