instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_133>? | The molecular formula for <BB_133> (O=C(O)COc1ccc(CO)cc1) is C9H10O4. | |
Describe the ring structures in building block <BB_133>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_133>. | The molecule contains the following groups: Carboxylic Acid, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_133>. | **Token:** <BB_133>
**SMILES:** O=C(O)COc1ccc(CO)cc1
**Molecular Formula:** C9H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_134>. | C=CCn1c(S)nnc1COc1ccccc1 | |
What is the building block token for the following molecule? | C=CCn1c(S)nnc1COc1ccccc1 | <BB_134> |
What is the molecular formula for <BB_134>? | The molecular formula for <BB_134> (C=CCn1c(S)nnc1COc1ccccc1) is C12H13N3OS. | |
Describe the ring structures in building block <BB_134>. | 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_134>. | The molecule contains the following groups: Ether, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_134>. | **Token:** <BB_134>
**SMILES:** C=CCn1c(S)nnc1COc1ccccc1
**Molecular Formula:** C12H13N3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ether, Thiol | |
Provide the SMILES representation for the building block token <BB_135>. | O=Cc1cc(F)ccc1Cl | |
What is the building block token for the following molecule? | O=Cc1cc(F)ccc1Cl | <BB_135> |
What is the molecular formula for <BB_135>? | The molecular formula for <BB_135> (O=Cc1cc(F)ccc1Cl) is C7H4ClFO. | |
Describe the ring structures in building block <BB_135>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_135>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_135>. | **Token:** <BB_135>
**SMILES:** O=Cc1cc(F)ccc1Cl
**Molecular Formula:** C7H4ClFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_136>. | CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C | <BB_136> |
What is the molecular formula for <BB_136>? | The molecular formula for <BB_136> (CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C) is C14H25NO4. | |
Describe the ring structures in building block <BB_136>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_136>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_136>. | **Token:** <BB_136>
**SMILES:** CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C
**Molecular Formula:** C14H25NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_137>. | COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 | <BB_137> |
What is the molecular formula for <BB_137>? | The molecular formula for <BB_137> (COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1) is C12H19NO4. | |
Describe the ring structures in building block <BB_137>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_137>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_137>. | **Token:** <BB_137>
**SMILES:** COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1
**Molecular Formula:** C12H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_138>. | O=C1CCC(CO)CN1 | |
What is the building block token for the following molecule? | O=C1CCC(CO)CN1 | <BB_138> |
What is the molecular formula for <BB_138>? | The molecular formula for <BB_138> (O=C1CCC(CO)CN1) is C6H11NO2. | |
Describe the ring structures in building block <BB_138>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_138>. | The molecule contains the following groups: Amide, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_138>. | **Token:** <BB_138>
**SMILES:** O=C1CCC(CO)CN1
**Molecular Formula:** C6H11NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol | |
Provide the SMILES representation for the building block token <BB_139>. | O=S(=O)(Cl)Cc1cccc(Br)c1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)Cc1cccc(Br)c1 | <BB_139> |
What is the molecular formula for <BB_139>? | The molecular formula for <BB_139> (O=S(=O)(Cl)Cc1cccc(Br)c1) is C7H6BrClO2S. | |
Describe the ring structures in building block <BB_139>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_139>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_139>. | **Token:** <BB_139>
**SMILES:** O=S(=O)(Cl)Cc1cccc(Br)c1
**Molecular Formula:** C7H6BrClO2S
**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_140>. | O=C(O)COc1ccc(S(=O)(=O)F)cc1 | |
What is the building block token for the following molecule? | O=C(O)COc1ccc(S(=O)(=O)F)cc1 | <BB_140> |
What is the molecular formula for <BB_140>? | The molecular formula for <BB_140> (O=C(O)COc1ccc(S(=O)(=O)F)cc1) is C8H7FO5S. | |
Describe the ring structures in building block <BB_140>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_140>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_140>. | **Token:** <BB_140>
**SMILES:** O=C(O)COc1ccc(S(=O)(=O)F)cc1
**Molecular Formula:** C8H7FO5S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_141>. | Cc1nnc([C@]23CCC[C@H]2CNC3)o1 | |
What is the building block token for the following molecule? | Cc1nnc([C@]23CCC[C@H]2CNC3)o1 | <BB_141> |
What is the molecular formula for <BB_141>? | The molecular formula for <BB_141> (Cc1nnc([C@]23CCC[C@H]2CNC3)o1) is C10H15N3O. | |
Describe the ring structures in building block <BB_141>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_141>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_141>. | **Token:** <BB_141>
**SMILES:** Cc1nnc([C@]23CCC[C@H]2CNC3)o1
**Molecular Formula:** C10H15N3O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_142>. | CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl | <BB_142> |
What is the molecular formula for <BB_142>? | The molecular formula for <BB_142> (CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl) is C11H21ClN2O2. | |
Describe the ring structures in building block <BB_142>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_142>. | 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_142>. | **Token:** <BB_142>
**SMILES:** CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl
**Molecular Formula:** C11H21ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_143>. | Cl.NCCCC1N=N1 | |
What is the building block token for the following molecule? | Cl.NCCCC1N=N1 | <BB_143> |
What is the molecular formula for <BB_143>? | The molecular formula for <BB_143> (Cl.NCCCC1N=N1) is C4H10ClN3. | |
Describe the ring structures in building block <BB_143>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_143>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_143>. | **Token:** <BB_143>
**SMILES:** Cl.NCCCC1N=N1
**Molecular Formula:** C4H10ClN3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_144>. | COC(=O)c1c(N)sc2c1CCCC2 | |
What is the building block token for the following molecule? | COC(=O)c1c(N)sc2c1CCCC2 | <BB_144> |
What is the molecular formula for <BB_144>? | The molecular formula for <BB_144> (COC(=O)c1c(N)sc2c1CCCC2) is C10H13NO2S. | |
Describe the ring structures in building block <BB_144>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_144>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_144>. | **Token:** <BB_144>
**SMILES:** COC(=O)c1c(N)sc2c1CCCC2
**Molecular Formula:** C10H13NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_145>. | CCCCCc1cc(O)cc(=O)o1 | |
What is the building block token for the following molecule? | CCCCCc1cc(O)cc(=O)o1 | <BB_145> |
What is the molecular formula for <BB_145>? | The molecular formula for <BB_145> (CCCCCc1cc(O)cc(=O)o1) is C10H14O3. | |
Describe the ring structures in building block <BB_145>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_145>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_145>. | **Token:** <BB_145>
**SMILES:** CCCCCc1cc(O)cc(=O)o1
**Molecular Formula:** C10H14O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_146>. | CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1 | <BB_146> |
What is the molecular formula for <BB_146>? | The molecular formula for <BB_146> (CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1) is C14H23NO4. | |
Describe the ring structures in building block <BB_146>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_146>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_146>. | **Token:** <BB_146>
**SMILES:** CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1
**Molecular Formula:** C14H23NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_147>. | COC(=O)CC1(N)CCCC1.Cl | |
What is the building block token for the following molecule? | COC(=O)CC1(N)CCCC1.Cl | <BB_147> |
What is the molecular formula for <BB_147>? | The molecular formula for <BB_147> (COC(=O)CC1(N)CCCC1.Cl) is C8H16ClNO2. | |
Describe the ring structures in building block <BB_147>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_147>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_147>. | **Token:** <BB_147>
**SMILES:** COC(=O)CC1(N)CCCC1.Cl
**Molecular Formula:** C8H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_148>. | O=C(O)CSc1ccc2ccccc2c1 | |
What is the building block token for the following molecule? | O=C(O)CSc1ccc2ccccc2c1 | <BB_148> |
What is the molecular formula for <BB_148>? | The molecular formula for <BB_148> (O=C(O)CSc1ccc2ccccc2c1) is C12H10O2S. | |
Describe the ring structures in building block <BB_148>. | 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_148>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_148>. | **Token:** <BB_148>
**SMILES:** O=C(O)CSc1ccc2ccccc2c1
**Molecular Formula:** C12H10O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_149>. | NC(N)=NS(=O)(=O)c1ccc(N)cc1 | |
What is the building block token for the following molecule? | NC(N)=NS(=O)(=O)c1ccc(N)cc1 | <BB_149> |
What is the molecular formula for <BB_149>? | The molecular formula for <BB_149> (NC(N)=NS(=O)(=O)c1ccc(N)cc1) is C7H10N4O2S. | |
Describe the ring structures in building block <BB_149>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_149>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_149>. | **Token:** <BB_149>
**SMILES:** NC(N)=NS(=O)(=O)c1ccc(N)cc1
**Molecular Formula:** C7H10N4O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide |
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