instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_216>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_216>. | **Token:** <BB_216>
**SMILES:** Nc1nc2cc(Br)cc(Cl)c2o1
**Molecular Formula:** C7H4BrClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_217>. | COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1 | |
What is the building block token for the following molecule? | COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1 | <BB_217> |
What is the molecular formula for <BB_217>? | The molecular formula for <BB_217> (COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1) is C15H20O4. | |
Describe the ring structures in building block <BB_217>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_217>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_217>. | **Token:** <BB_217>
**SMILES:** COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1
**Molecular Formula:** C15H20O4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_218>. | N#Cc1ccc(I)cc1Br | |
What is the building block token for the following molecule? | N#Cc1ccc(I)cc1Br | <BB_218> |
What is the molecular formula for <BB_218>? | The molecular formula for <BB_218> (N#Cc1ccc(I)cc1Br) is C7H3BrIN. | |
Describe the ring structures in building block <BB_218>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_218>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_218>. | **Token:** <BB_218>
**SMILES:** N#Cc1ccc(I)cc1Br
**Molecular Formula:** C7H3BrIN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_219>. | O=C(O)CC1CCC2COCCC2C1 | |
What is the building block token for the following molecule? | O=C(O)CC1CCC2COCCC2C1 | <BB_219> |
What is the molecular formula for <BB_219>? | The molecular formula for <BB_219> (O=C(O)CC1CCC2COCCC2C1) is C11H18O3. | |
Describe the ring structures in building block <BB_219>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_219>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_219>. | **Token:** <BB_219>
**SMILES:** O=C(O)CC1CCC2COCCC2C1
**Molecular Formula:** C11H18O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_220>. | CSc1nccnc1C(=O)O | |
What is the building block token for the following molecule? | CSc1nccnc1C(=O)O | <BB_220> |
What is the molecular formula for <BB_220>? | The molecular formula for <BB_220> (CSc1nccnc1C(=O)O) is C6H6N2O2S. | |
Describe the ring structures in building block <BB_220>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_220>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_220>. | **Token:** <BB_220>
**SMILES:** CSc1nccnc1C(=O)O
**Molecular Formula:** C6H6N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_221>. | Cl.N#Cc1ccc(C2CC(N)C2)cc1 | |
What is the building block token for the following molecule? | Cl.N#Cc1ccc(C2CC(N)C2)cc1 | <BB_221> |
What is the molecular formula for <BB_221>? | The molecular formula for <BB_221> (Cl.N#Cc1ccc(C2CC(N)C2)cc1) is C11H13ClN2. | |
Describe the ring structures in building block <BB_221>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_221>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_221>. | **Token:** <BB_221>
**SMILES:** Cl.N#Cc1ccc(C2CC(N)C2)cc1
**Molecular Formula:** C11H13ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_222>. | COCCOc1ccc(C(C)=O)cc1 | |
What is the building block token for the following molecule? | COCCOc1ccc(C(C)=O)cc1 | <BB_222> |
What is the molecular formula for <BB_222>? | The molecular formula for <BB_222> (COCCOc1ccc(C(C)=O)cc1) is C11H14O3. | |
Describe the ring structures in building block <BB_222>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_222>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_222>. | **Token:** <BB_222>
**SMILES:** COCCOc1ccc(C(C)=O)cc1
**Molecular Formula:** C11H14O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_223>. | CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1 | <BB_223> |
What is the molecular formula for <BB_223>? | The molecular formula for <BB_223> (CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1) is C9H11ClO4S2. | |
Describe the ring structures in building block <BB_223>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_223>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_223>. | **Token:** <BB_223>
**SMILES:** CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1
**Molecular Formula:** C9H11ClO4S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_224>. | Cc1ccc(F)c(CBr)c1 | |
What is the building block token for the following molecule? | Cc1ccc(F)c(CBr)c1 | <BB_224> |
What is the molecular formula for <BB_224>? | The molecular formula for <BB_224> (Cc1ccc(F)c(CBr)c1) is C8H8BrF. | |
Describe the ring structures in building block <BB_224>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_224>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_224>. | **Token:** <BB_224>
**SMILES:** Cc1ccc(F)c(CBr)c1
**Molecular Formula:** C8H8BrF
**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_225>. | CNC(=O)c1nc2ccccc2c(=O)[nH]1 | |
What is the building block token for the following molecule? | CNC(=O)c1nc2ccccc2c(=O)[nH]1 | <BB_225> |
What is the molecular formula for <BB_225>? | The molecular formula for <BB_225> (CNC(=O)c1nc2ccccc2c(=O)[nH]1) is C10H9N3O2. | |
Describe the ring structures in building block <BB_225>. | 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_225>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_225>. | **Token:** <BB_225>
**SMILES:** CNC(=O)c1nc2ccccc2c(=O)[nH]1
**Molecular Formula:** C10H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_226>. | Cc1cc(OCc2ccccn2)ccc1N | |
What is the building block token for the following molecule? | Cc1cc(OCc2ccccn2)ccc1N | <BB_226> |
What is the molecular formula for <BB_226>? | The molecular formula for <BB_226> (Cc1cc(OCc2ccccn2)ccc1N) is C13H14N2O. | |
Describe the ring structures in building block <BB_226>. | 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_226>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_226>. | **Token:** <BB_226>
**SMILES:** Cc1cc(OCc2ccccn2)ccc1N
**Molecular Formula:** C13H14N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_227>. | COC(=O)C12CC(C(=O)O)(C1)OC2(C)C | |
What is the building block token for the following molecule? | COC(=O)C12CC(C(=O)O)(C1)OC2(C)C | <BB_227> |
What is the molecular formula for <BB_227>? | The molecular formula for <BB_227> (COC(=O)C12CC(C(=O)O)(C1)OC2(C)C) is C10H14O5. | |
Describe the ring structures in building block <BB_227>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_227>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_227>. | **Token:** <BB_227>
**SMILES:** COC(=O)C12CC(C(=O)O)(C1)OC2(C)C
**Molecular Formula:** C10H14O5
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_228>. | CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21 | |
What is the building block token for the following molecule? | CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21 | <BB_228> |
What is the molecular formula for <BB_228>? | The molecular formula for <BB_228> (CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21) is C11H9F3O2. | |
Describe the ring structures in building block <BB_228>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_228>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_228>. | **Token:** <BB_228>
**SMILES:** CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21
**Molecular Formula:** C11H9F3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, 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_229>. | CC(C)(C=O)N1CCOCC1 | |
What is the building block token for the following molecule? | CC(C)(C=O)N1CCOCC1 | <BB_229> |
What is the molecular formula for <BB_229>? | The molecular formula for <BB_229> (CC(C)(C=O)N1CCOCC1) is C8H15NO2. | |
Describe the ring structures in building block <BB_229>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_229>. | The molecule contains the following groups: Tertiary Amine, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_229>. | **Token:** <BB_229>
**SMILES:** CC(C)(C=O)N1CCOCC1
**Molecular Formula:** C8H15NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_230>. | COc1ccc(N)c(I)c1F.Cl | |
What is the building block token for the following molecule? | COc1ccc(N)c(I)c1F.Cl | <BB_230> |
What is the molecular formula for <BB_230>? | The molecular formula for <BB_230> (COc1ccc(N)c(I)c1F.Cl) is C7H8ClFINO. | |
Describe the ring structures in building block <BB_230>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_230>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_230>. | **Token:** <BB_230>
**SMILES:** COc1ccc(N)c(I)c1F.Cl
**Molecular Formula:** C7H8ClFINO
**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_231>. | Cc1cc(F)ncc1C1CC1 | |
What is the building block token for the following molecule? | Cc1cc(F)ncc1C1CC1 | <BB_231> |
What is the molecular formula for <BB_231>? | The molecular formula for <BB_231> (Cc1cc(F)ncc1C1CC1) is C9H10FN. | |
Describe the ring structures in building block <BB_231>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_231>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_231>. | **Token:** <BB_231>
**SMILES:** Cc1cc(F)ncc1C1CC1
**Molecular Formula:** C9H10FN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_232>. | O=C(Nc1cccc(CO)c1)c1ccco1 | |
What is the building block token for the following molecule? | O=C(Nc1cccc(CO)c1)c1ccco1 | <BB_232> |
What is the molecular formula for <BB_232>? | The molecular formula for <BB_232> (O=C(Nc1cccc(CO)c1)c1ccco1) is C12H11NO3. | |
Describe the ring structures in building block <BB_232>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_232>. | The molecule contains the following groups: Amide, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_232>. | **Token:** <BB_232>
**SMILES:** O=C(Nc1cccc(CO)c1)c1ccco1
**Molecular Formula:** C12H11NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide, Alcohol | |
Provide the SMILES representation for the building block token <BB_233>. | Cl.NCC[C@H]1CCC(=O)N1 | |
What is the building block token for the following molecule? | Cl.NCC[C@H]1CCC(=O)N1 | <BB_233> |
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