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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: C13H21NO3
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: C13H21NO3
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: C12H15NO3S2
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: C19H23ClN4O2
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: C19H23ClN4O2
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: C16H20N2O3
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: C14H14N2O4S2
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: C14H14N2O4S2
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: C12H15NOS
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: C15H19Cl2NO2
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: C12H16N2O3S
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: C16H17Cl2NO3S
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: C18H23N3O2S
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: C18H23N3O2S
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: C19H22N2O4
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: C19H22N2O4
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: C16H19ClN2O
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: C10H18N4O2
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: C10H18N4O2
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: C15H18FN5O2
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: C15H18FN5O2
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: C17H22N2O3S
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: C17H32N2O3
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: C17H32N2O3
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: C12H14BrNO2
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: C17H25ClN2O3S
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: C15H15F4NO4
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: C15H15F4NO4
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: C12H18N2O2
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: C11H10F3NO
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: C15H21N5O2
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: C13H16Cl3NO3
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: C14H18N4OS
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: C17H23F3N2O3
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: C14H16ClFN2S
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: C14H16ClFN2S
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: C16H24N2O2S
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: C18H23N3O2
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: C18H23N3O2
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: C11H19N3O3S
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: C11H19N3O3S
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: C19H25NO4
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: C19H22N2O4S2
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: C19H22N2O4S2
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: C10H14ClNO3S
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: C10H14ClNO3S
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: C16H17NO3
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: C16H17NO3
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: C10H7BrN2O2
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: C18H24FN5O2
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: C18H24FN5O2
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: C13H13F3N4O2S
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: C17H18N2O2
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: C17H18N2O2
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: C21H25ClN2O2
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: C21H25ClN2O2
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: C20H24FN3S
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: C20H24FN3S
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: C18H21N3O2S
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: C18H21N3O2S
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: C12H11N3O4
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: C12H11N3O4
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: C21H29N5O
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: C21H29N5O
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: C13H11F3N5O2S-
Degree of Unsaturation (DoU): 9.5
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: C13H11F3N5O2S-
Degree of Unsaturation (DoU): 9.5
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: C17H21NO3S
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: C14H12F2N2O2
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: C14H12F2N2O2
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: C16H19NO4S
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: C20H22FNO3S
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: C20H22FNO3S
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: C15H21N5O2
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: C23H32N4O2
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: C23H32N4O2
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: C14H16ClNO2
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: C14H16ClNO2
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: C17H23N5O2
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: C17H23N5O2
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: C19H23N3O3
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: C19H23N3O3
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: C19H25N5O3
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: C19H25N5O3
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: C13H24N4O2
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: C13H24N4O2
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: 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: C11H11ClN4O2
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: C17H24N2O5
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: C17H24N2O5
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: C16H18ClFN2O2
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: C15H19NO4
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: C15H19NO4
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: C16H24N2O2
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: C18H23N3O2
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: C18H23N3O2
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: C15H20N4O
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: C13H12ClN3O
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: C13H12ClN3O
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: C8H12N2O2
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"
}
|
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