instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9083>? | The molecular formula for <BB_9083> (COC(OC)C(O)Cc1ccc(Cl)cc1) is C11H15ClO3. | |
Describe the ring structures in building block <BB_9083>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9083>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9083>. | **Token:** <BB_9083>
**SMILES:** COC(OC)C(O)Cc1ccc(Cl)cc1
**Molecular Formula:** C11H15ClO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9084>. | COC(=O)Cc1nc2ccccc2[nH]1.Cl | |
What is the building block token for the following molecule? | COC(=O)Cc1nc2ccccc2[nH]1.Cl | <BB_9084> |
What is the molecular formula for <BB_9084>? | The molecular formula for <BB_9084> (COC(=O)Cc1nc2ccccc2[nH]1.Cl) is C10H11ClN2O2. | |
Describe the ring structures in building block <BB_9084>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9084>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9084>. | **Token:** <BB_9084>
**SMILES:** COC(=O)Cc1nc2ccccc2[nH]1.Cl
**Molecular Formula:** C10H11ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9085>. | O=C(O)C(=O)c1ccc(F)nc1 | |
What is the building block token for the following molecule? | O=C(O)C(=O)c1ccc(F)nc1 | <BB_9085> |
What is the molecular formula for <BB_9085>? | The molecular formula for <BB_9085> (O=C(O)C(=O)c1ccc(F)nc1) is C7H4FNO3. | |
Describe the ring structures in building block <BB_9085>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9085>. | The molecule contains the following groups: Carboxylic Acid, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9085>. | **Token:** <BB_9085>
**SMILES:** O=C(O)C(=O)c1ccc(F)nc1
**Molecular Formula:** C7H4FNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9086>. | CC(C)(C)OC(=O)NCc1ncc(CN)s1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCc1ncc(CN)s1 | <BB_9086> |
What is the molecular formula for <BB_9086>? | The molecular formula for <BB_9086> (CC(C)(C)OC(=O)NCc1ncc(CN)s1) is C10H17N3O2S. | |
Describe the ring structures in building block <BB_9086>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9086>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9086>. | **Token:** <BB_9086>
**SMILES:** CC(C)(C)OC(=O)NCc1ncc(CN)s1
**Molecular Formula:** C10H17N3O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9087>. | Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1 | |
What is the building block token for the following molecule? | Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1 | <BB_9087> |
What is the molecular formula for <BB_9087>? | The molecular formula for <BB_9087> (Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1) is C11H11N3O2. | |
Describe the ring structures in building block <BB_9087>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9087>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9087>. | **Token:** <BB_9087>
**SMILES:** Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1
**Molecular Formula:** C11H11N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9088>. | O=C(O)c1cnn2c(-c3ccco3)ccnc12 | |
What is the building block token for the following molecule? | O=C(O)c1cnn2c(-c3ccco3)ccnc12 | <BB_9088> |
What is the molecular formula for <BB_9088>? | The molecular formula for <BB_9088> (O=C(O)c1cnn2c(-c3ccco3)ccnc12) is C11H7N3O3. | |
Describe the ring structures in building block <BB_9088>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9088>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9088>. | **Token:** <BB_9088>
**SMILES:** O=C(O)c1cnn2c(-c3ccco3)ccnc12
**Molecular Formula:** C11H7N3O3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9089>. | CC(C)(C)OC(=O)N1CC(OC2CCNCC2)C1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(OC2CCNCC2)C1.Cl | <BB_9089> |
What is the molecular formula for <BB_9089>? | The molecular formula for <BB_9089> (CC(C)(C)OC(=O)N1CC(OC2CCNCC2)C1.Cl) is C13H25ClN2O3. | |
Describe the ring structures in building block <BB_9089>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9089>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9089>. | **Token:** <BB_9089>
**SMILES:** CC(C)(C)OC(=O)N1CC(OC2CCNCC2)C1.Cl
**Molecular Formula:** C13H25ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9090>. | CC(C)c1cccc(Nc2ccncc2N)c1 | |
What is the building block token for the following molecule? | CC(C)c1cccc(Nc2ccncc2N)c1 | <BB_9090> |
What is the molecular formula for <BB_9090>? | The molecular formula for <BB_9090> (CC(C)c1cccc(Nc2ccncc2N)c1) is C14H17N3. | |
Describe the ring structures in building block <BB_9090>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9090>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9090>. | **Token:** <BB_9090>
**SMILES:** CC(C)c1cccc(Nc2ccncc2N)c1
**Molecular Formula:** C14H17N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9091>. | CC1CCNC(c2cccn2C)CC1 | |
What is the building block token for the following molecule? | CC1CCNC(c2cccn2C)CC1 | <BB_9091> |
What is the molecular formula for <BB_9091>? | The molecular formula for <BB_9091> (CC1CCNC(c2cccn2C)CC1) is C12H20N2. | |
Describe the ring structures in building block <BB_9091>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9091>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9091>. | **Token:** <BB_9091>
**SMILES:** CC1CCNC(c2cccn2C)CC1
**Molecular Formula:** C12H20N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9092>. | CC(C)(C)OC(=O)NC(C#N)CO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(C#N)CO | <BB_9092> |
What is the molecular formula for <BB_9092>? | The molecular formula for <BB_9092> (CC(C)(C)OC(=O)NC(C#N)CO) is C8H14N2O3. | |
Describe the ring structures in building block <BB_9092>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9092>. | The molecule contains the following groups: Amide, Alcohol, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9092>. | **Token:** <BB_9092>
**SMILES:** CC(C)(C)OC(=O)NC(C#N)CO
**Molecular Formula:** C8H14N2O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Alcohol, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_9093>. | Cc1cccc(F)c1CCl | |
What is the building block token for the following molecule? | Cc1cccc(F)c1CCl | <BB_9093> |
What is the molecular formula for <BB_9093>? | The molecular formula for <BB_9093> (Cc1cccc(F)c1CCl) is C8H8ClF. | |
Describe the ring structures in building block <BB_9093>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9093>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9093>. | **Token:** <BB_9093>
**SMILES:** Cc1cccc(F)c1CCl
**Molecular Formula:** C8H8ClF
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9094>. | CN(C)S(=O)(=O)Cc1ccc(CN)cc1 | |
What is the building block token for the following molecule? | CN(C)S(=O)(=O)Cc1ccc(CN)cc1 | <BB_9094> |
What is the molecular formula for <BB_9094>? | The molecular formula for <BB_9094> (CN(C)S(=O)(=O)Cc1ccc(CN)cc1) is C10H16N2O2S. | |
Describe the ring structures in building block <BB_9094>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9094>. | The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9094>. | **Token:** <BB_9094>
**SMILES:** CN(C)S(=O)(=O)Cc1ccc(CN)cc1
**Molecular Formula:** C10H16N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9095>. | CCOC(OCC)c1cc(-c2ccncc2)[nH]n1 | |
What is the building block token for the following molecule? | CCOC(OCC)c1cc(-c2ccncc2)[nH]n1 | <BB_9095> |
What is the molecular formula for <BB_9095>? | The molecular formula for <BB_9095> (CCOC(OCC)c1cc(-c2ccncc2)[nH]n1) is C13H17N3O2. | |
Describe the ring structures in building block <BB_9095>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9095>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9095>. | **Token:** <BB_9095>
**SMILES:** CCOC(OCC)c1cc(-c2ccncc2)[nH]n1
**Molecular Formula:** C13H17N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9096>. | O=c1[nH]cnc2ccc(Cl)nc12 | |
What is the building block token for the following molecule? | O=c1[nH]cnc2ccc(Cl)nc12 | <BB_9096> |
What is the molecular formula for <BB_9096>? | The molecular formula for <BB_9096> (O=c1[nH]cnc2ccc(Cl)nc12) is C7H4ClN3O. | |
Describe the ring structures in building block <BB_9096>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9096>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9096>. | **Token:** <BB_9096>
**SMILES:** O=c1[nH]cnc2ccc(Cl)nc12
**Molecular Formula:** C7H4ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9097>. | NC(c1cccc(Br)c1)C(F)(F)F | |
What is the building block token for the following molecule? | NC(c1cccc(Br)c1)C(F)(F)F | <BB_9097> |
What is the molecular formula for <BB_9097>? | The molecular formula for <BB_9097> (NC(c1cccc(Br)c1)C(F)(F)F) is C8H7BrF3N. | |
Describe the ring structures in building block <BB_9097>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9097>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9097>. | **Token:** <BB_9097>
**SMILES:** NC(c1cccc(Br)c1)C(F)(F)F
**Molecular Formula:** C8H7BrF3N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9098>. | CN(C)c1ncc(Br)cn1 | |
What is the building block token for the following molecule? | CN(C)c1ncc(Br)cn1 | <BB_9098> |
What is the molecular formula for <BB_9098>? | The molecular formula for <BB_9098> (CN(C)c1ncc(Br)cn1) is C6H8BrN3. | |
Describe the ring structures in building block <BB_9098>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9098>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9098>. | **Token:** <BB_9098>
**SMILES:** CN(C)c1ncc(Br)cn1
**Molecular Formula:** C6H8BrN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9099>. | NC(=O)c1ccc(CC(=O)O)cn1 | |
What is the building block token for the following molecule? | NC(=O)c1ccc(CC(=O)O)cn1 | <BB_9099> |
What is the molecular formula for <BB_9099>? | The molecular formula for <BB_9099> (NC(=O)c1ccc(CC(=O)O)cn1) is C8H8N2O3. | |
Describe the ring structures in building block <BB_9099>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9099>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9099>. | **Token:** <BB_9099>
**SMILES:** NC(=O)c1ccc(CC(=O)O)cn1
**Molecular Formula:** C8H8N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide |
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