instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9333>? | The molecular formula for <BB_9333> (O=C(O)c1cc(Br)cc(C(F)(F)F)c1) is C8H4BrF3O2. | |
Describe the ring structures in building block <BB_9333>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9333>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9333>. | **Token:** <BB_9333>
**SMILES:** O=C(O)c1cc(Br)cc(C(F)(F)F)c1
**Molecular Formula:** C8H4BrF3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9334>. | O=c1ccc(Br)cn1C(F)(F)Br | |
What is the building block token for the following molecule? | O=c1ccc(Br)cn1C(F)(F)Br | <BB_9334> |
What is the molecular formula for <BB_9334>? | The molecular formula for <BB_9334> (O=c1ccc(Br)cn1C(F)(F)Br) is C6H3Br2F2NO. | |
Describe the ring structures in building block <BB_9334>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9334>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9334>. | **Token:** <BB_9334>
**SMILES:** O=c1ccc(Br)cn1C(F)(F)Br
**Molecular Formula:** C6H3Br2F2NO
**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_9335>. | C=CC(=O)Nc1cc(C(=O)O)ccc1O | |
What is the building block token for the following molecule? | C=CC(=O)Nc1cc(C(=O)O)ccc1O | <BB_9335> |
What is the molecular formula for <BB_9335>? | The molecular formula for <BB_9335> (C=CC(=O)Nc1cc(C(=O)O)ccc1O) is C10H9NO4. | |
Describe the ring structures in building block <BB_9335>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9335>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9335>. | **Token:** <BB_9335>
**SMILES:** C=CC(=O)Nc1cc(C(=O)O)ccc1O
**Molecular Formula:** C10H9NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9336>. | CC1(C)SCCC1CN | |
What is the building block token for the following molecule? | CC1(C)SCCC1CN | <BB_9336> |
What is the molecular formula for <BB_9336>? | The molecular formula for <BB_9336> (CC1(C)SCCC1CN) is C7H15NS. | |
Describe the ring structures in building block <BB_9336>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9336>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9336>. | **Token:** <BB_9336>
**SMILES:** CC1(C)SCCC1CN
**Molecular Formula:** C7H15NS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_9337>. | COC(=O)[C@H](O)c1cccnc1.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@H](O)c1cccnc1.Cl | <BB_9337> |
What is the molecular formula for <BB_9337>? | The molecular formula for <BB_9337> (COC(=O)[C@H](O)c1cccnc1.Cl) is C8H10ClNO3. | |
Describe the ring structures in building block <BB_9337>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9337>. | The molecule contains the following groups: Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9337>. | **Token:** <BB_9337>
**SMILES:** COC(=O)[C@H](O)c1cccnc1.Cl
**Molecular Formula:** C8H10ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9338>. | COc1cc(Cl)ccc1C(N)C(=O)O | |
What is the building block token for the following molecule? | COc1cc(Cl)ccc1C(N)C(=O)O | <BB_9338> |
What is the molecular formula for <BB_9338>? | The molecular formula for <BB_9338> (COc1cc(Cl)ccc1C(N)C(=O)O) is C9H10ClNO3. | |
Describe the ring structures in building block <BB_9338>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9338>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9338>. | **Token:** <BB_9338>
**SMILES:** COc1cc(Cl)ccc1C(N)C(=O)O
**Molecular Formula:** C9H10ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9339>. | CC(C)(C)OC(=O)N1CCCC(c2csc(Br)n2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC(c2csc(Br)n2)C1 | <BB_9339> |
What is the molecular formula for <BB_9339>? | The molecular formula for <BB_9339> (CC(C)(C)OC(=O)N1CCCC(c2csc(Br)n2)C1) is C13H19BrN2O2S. | |
Describe the ring structures in building block <BB_9339>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9339>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9339>. | **Token:** <BB_9339>
**SMILES:** CC(C)(C)OC(=O)N1CCCC(c2csc(Br)n2)C1
**Molecular Formula:** C13H19BrN2O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9340>. | CN1CCC2(CC1)CC(N)c1ccccc1O2.Cl.Cl | |
What is the building block token for the following molecule? | CN1CCC2(CC1)CC(N)c1ccccc1O2.Cl.Cl | <BB_9340> |
What is the molecular formula for <BB_9340>? | The molecular formula for <BB_9340> (CN1CCC2(CC1)CC(N)c1ccccc1O2.Cl.Cl) is C14H22Cl2N2O. | |
Describe the ring structures in building block <BB_9340>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9340>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9340>. | **Token:** <BB_9340>
**SMILES:** CN1CCC2(CC1)CC(N)c1ccccc1O2.Cl.Cl
**Molecular Formula:** C14H22Cl2N2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9341>. | CN1C(=O)C[C@H](C#N)[C@H]1c1ccccc1 | |
What is the building block token for the following molecule? | CN1C(=O)C[C@H](C#N)[C@H]1c1ccccc1 | <BB_9341> |
What is the molecular formula for <BB_9341>? | The molecular formula for <BB_9341> (CN1C(=O)C[C@H](C#N)[C@H]1c1ccccc1) is C12H12N2O. | |
Describe the ring structures in building block <BB_9341>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9341>. | The molecule contains the following groups: Amide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9341>. | **Token:** <BB_9341>
**SMILES:** CN1C(=O)C[C@H](C#N)[C@H]1c1ccccc1
**Molecular Formula:** C12H12N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Nitrile | |
Provide the SMILES representation for the building block token <BB_9342>. | Cc1cc(N)cc(-c2cccc(F)c2OC(F)F)c1 | |
What is the building block token for the following molecule? | Cc1cc(N)cc(-c2cccc(F)c2OC(F)F)c1 | <BB_9342> |
What is the molecular formula for <BB_9342>? | The molecular formula for <BB_9342> (Cc1cc(N)cc(-c2cccc(F)c2OC(F)F)c1) is C14H12F3NO. | |
Describe the ring structures in building block <BB_9342>. | 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_9342>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9342>. | **Token:** <BB_9342>
**SMILES:** Cc1cc(N)cc(-c2cccc(F)c2OC(F)F)c1
**Molecular Formula:** C14H12F3NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9343>. | COc1nccc(Br)n1 | |
What is the building block token for the following molecule? | COc1nccc(Br)n1 | <BB_9343> |
What is the molecular formula for <BB_9343>? | The molecular formula for <BB_9343> (COc1nccc(Br)n1) is C5H5BrN2O. | |
Describe the ring structures in building block <BB_9343>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9343>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9343>. | **Token:** <BB_9343>
**SMILES:** COc1nccc(Br)n1
**Molecular Formula:** C5H5BrN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9344>. | CCOC(=O)C=C1CCOC1 | |
What is the building block token for the following molecule? | CCOC(=O)C=C1CCOC1 | <BB_9344> |
What is the molecular formula for <BB_9344>? | The molecular formula for <BB_9344> (CCOC(=O)C=C1CCOC1) is C8H12O3. | |
Describe the ring structures in building block <BB_9344>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9344>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9344>. | **Token:** <BB_9344>
**SMILES:** CCOC(=O)C=C1CCOC1
**Molecular Formula:** C8H12O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9345>. | [N-]=[N+]=NCCC1OCCO1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCCC1OCCO1 | <BB_9345> |
What is the molecular formula for <BB_9345>? | The molecular formula for <BB_9345> ([N-]=[N+]=NCCC1OCCO1) is C5H9N3O2. | |
Describe the ring structures in building block <BB_9345>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9345>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9345>. | **Token:** <BB_9345>
**SMILES:** [N-]=[N+]=NCCC1OCCO1
**Molecular Formula:** C5H9N3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9346>. | Cc1cc(F)ccc1[C@H](O)C(=O)O | |
What is the building block token for the following molecule? | Cc1cc(F)ccc1[C@H](O)C(=O)O | <BB_9346> |
What is the molecular formula for <BB_9346>? | The molecular formula for <BB_9346> (Cc1cc(F)ccc1[C@H](O)C(=O)O) is C9H9FO3. | |
Describe the ring structures in building block <BB_9346>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9346>. | The molecule contains the following groups: Carboxylic Acid, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9346>. | **Token:** <BB_9346>
**SMILES:** Cc1cc(F)ccc1[C@H](O)C(=O)O
**Molecular Formula:** C9H9FO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9347>. | OCc1ncon1 | |
What is the building block token for the following molecule? | OCc1ncon1 | <BB_9347> |
What is the molecular formula for <BB_9347>? | The molecular formula for <BB_9347> (OCc1ncon1) is C3H4N2O2. | |
Describe the ring structures in building block <BB_9347>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9347>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9347>. | **Token:** <BB_9347>
**SMILES:** OCc1ncon1
**Molecular Formula:** C3H4N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9348>. | CCOc1ccc(CN)cc1Cl.Cl | |
What is the building block token for the following molecule? | CCOc1ccc(CN)cc1Cl.Cl | <BB_9348> |
What is the molecular formula for <BB_9348>? | The molecular formula for <BB_9348> (CCOc1ccc(CN)cc1Cl.Cl) is C9H13Cl2NO. | |
Describe the ring structures in building block <BB_9348>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9348>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9348>. | **Token:** <BB_9348>
**SMILES:** CCOc1ccc(CN)cc1Cl.Cl
**Molecular Formula:** C9H13Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9349>. | CC(C)n1cc2ncc(C(=O)O)cc2n1 | |
What is the building block token for the following molecule? | CC(C)n1cc2ncc(C(=O)O)cc2n1 | <BB_9349> |
What is the molecular formula for <BB_9349>? | The molecular formula for <BB_9349> (CC(C)n1cc2ncc(C(=O)O)cc2n1) is C10H11N3O2. | |
Describe the ring structures in building block <BB_9349>. | 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_9349>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9349>. | **Token:** <BB_9349>
**SMILES:** CC(C)n1cc2ncc(C(=O)O)cc2n1
**Molecular Formula:** C10H11N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid |
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