instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_233>? | The molecular formula for <BB_233> (Cl.NCC[C@H]1CCC(=O)N1) is C6H13ClN2O. | |
Describe the ring structures in building block <BB_233>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_233>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_233>. | **Token:** <BB_233>
**SMILES:** Cl.NCC[C@H]1CCC(=O)N1
**Molecular Formula:** C6H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_234>. | O=C(O)c1ncc2ccccc2c1O | |
What is the building block token for the following molecule? | O=C(O)c1ncc2ccccc2c1O | <BB_234> |
What is the molecular formula for <BB_234>? | The molecular formula for <BB_234> (O=C(O)c1ncc2ccccc2c1O) is C10H7NO3. | |
Describe the ring structures in building block <BB_234>. | 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_234>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_234>. | **Token:** <BB_234>
**SMILES:** O=C(O)c1ncc2ccccc2c1O
**Molecular Formula:** C10H7NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_235>. | Cc1ccsc1C(=O)Cc1nc2ccccc2o1 | |
What is the building block token for the following molecule? | Cc1ccsc1C(=O)Cc1nc2ccccc2o1 | <BB_235> |
What is the molecular formula for <BB_235>? | The molecular formula for <BB_235> (Cc1ccsc1C(=O)Cc1nc2ccccc2o1) is C14H11NO2S. | |
Describe the ring structures in building block <BB_235>. | 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_235>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_235>. | **Token:** <BB_235>
**SMILES:** Cc1ccsc1C(=O)Cc1nc2ccccc2o1
**Molecular Formula:** C14H11NO2S
**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:** Ketone | |
Provide the SMILES representation for the building block token <BB_236>. | CS(=O)(=O)CC(=O)O | |
What is the building block token for the following molecule? | CS(=O)(=O)CC(=O)O | <BB_236> |
What is the molecular formula for <BB_236>? | The molecular formula for <BB_236> (CS(=O)(=O)CC(=O)O) is C3H6O4S. | |
Describe the ring structures in building block <BB_236>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_236>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_236>. | **Token:** <BB_236>
**SMILES:** CS(=O)(=O)CC(=O)O
**Molecular Formula:** C3H6O4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_237>. | Sc1nc(-c2ccccc2)no1 | |
What is the building block token for the following molecule? | Sc1nc(-c2ccccc2)no1 | <BB_237> |
What is the molecular formula for <BB_237>? | The molecular formula for <BB_237> (Sc1nc(-c2ccccc2)no1) is C8H6N2OS. | |
Describe the ring structures in building block <BB_237>. | 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_237>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_237>. | **Token:** <BB_237>
**SMILES:** Sc1nc(-c2ccccc2)no1
**Molecular Formula:** C8H6N2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_238>. | CCn1cc(CNC)c(C)n1 | |
What is the building block token for the following molecule? | CCn1cc(CNC)c(C)n1 | <BB_238> |
What is the molecular formula for <BB_238>? | The molecular formula for <BB_238> (CCn1cc(CNC)c(C)n1) is C8H15N3. | |
Describe the ring structures in building block <BB_238>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_238>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_238>. | **Token:** <BB_238>
**SMILES:** CCn1cc(CNC)c(C)n1
**Molecular Formula:** C8H15N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_239>. | Cc1nn(C)c(N2CCCN(C)CC2)c1CN | |
What is the building block token for the following molecule? | Cc1nn(C)c(N2CCCN(C)CC2)c1CN | <BB_239> |
What is the molecular formula for <BB_239>? | The molecular formula for <BB_239> (Cc1nn(C)c(N2CCCN(C)CC2)c1CN) is C12H23N5. | |
Describe the ring structures in building block <BB_239>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_239>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_239>. | **Token:** <BB_239>
**SMILES:** Cc1nn(C)c(N2CCCN(C)CC2)c1CN
**Molecular Formula:** C12H23N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_240>. | COC(=O)Nc1ccc(C(=O)O)c(Cl)c1 | |
What is the building block token for the following molecule? | COC(=O)Nc1ccc(C(=O)O)c(Cl)c1 | <BB_240> |
What is the molecular formula for <BB_240>? | The molecular formula for <BB_240> (COC(=O)Nc1ccc(C(=O)O)c(Cl)c1) is C9H8ClNO4. | |
Describe the ring structures in building block <BB_240>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_240>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_240>. | **Token:** <BB_240>
**SMILES:** COC(=O)Nc1ccc(C(=O)O)c(Cl)c1
**Molecular Formula:** C9H8ClNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_241>. | COc1ncccc1C(C)=O | |
What is the building block token for the following molecule? | COc1ncccc1C(C)=O | <BB_241> |
What is the molecular formula for <BB_241>? | The molecular formula for <BB_241> (COc1ncccc1C(C)=O) is C8H9NO2. | |
Describe the ring structures in building block <BB_241>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_241>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_241>. | **Token:** <BB_241>
**SMILES:** COc1ncccc1C(C)=O
**Molecular Formula:** C8H9NO2
**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_242>. | COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl | <BB_242> |
What is the molecular formula for <BB_242>? | The molecular formula for <BB_242> (COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl) is C12H17ClN2O4. | |
Describe the ring structures in building block <BB_242>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_242>. | The molecule contains the following groups: Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_242>. | **Token:** <BB_242>
**SMILES:** COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl
**Molecular Formula:** C12H17ClN2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_243>. | Nc1ncc(C2CCCCN2)cn1 | |
What is the building block token for the following molecule? | Nc1ncc(C2CCCCN2)cn1 | <BB_243> |
What is the molecular formula for <BB_243>? | The molecular formula for <BB_243> (Nc1ncc(C2CCCCN2)cn1) is C9H14N4. | |
Describe the ring structures in building block <BB_243>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_243>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_243>. | **Token:** <BB_243>
**SMILES:** Nc1ncc(C2CCCCN2)cn1
**Molecular Formula:** C9H14N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_244>. | O=C(O)c1ccn2ccccc12 | |
What is the building block token for the following molecule? | O=C(O)c1ccn2ccccc12 | <BB_244> |
What is the molecular formula for <BB_244>? | The molecular formula for <BB_244> (O=C(O)c1ccn2ccccc12) is C9H7NO2. | |
Describe the ring structures in building block <BB_244>. | 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_244>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_244>. | **Token:** <BB_244>
**SMILES:** O=C(O)c1ccn2ccccc12
**Molecular Formula:** C9H7NO2
**Ring System:** The molecule contains 2 ring(s): 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_245>. | CC1(C)OB(C2(F)CC23CCC3)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(C2(F)CC23CCC3)OC1(C)C | <BB_245> |
What is the molecular formula for <BB_245>? | The molecular formula for <BB_245> (CC1(C)OB(C2(F)CC23CCC3)OC1(C)C) is C12H20BFO2. | |
Describe the ring structures in building block <BB_245>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_245>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_245>. | **Token:** <BB_245>
**SMILES:** CC1(C)OB(C2(F)CC23CCC3)OC1(C)C
**Molecular Formula:** C12H20BFO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_246>. | N#C[C@H](O)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | N#C[C@H](O)c1ccc(F)cc1 | <BB_246> |
What is the molecular formula for <BB_246>? | The molecular formula for <BB_246> (N#C[C@H](O)c1ccc(F)cc1) is C8H6FNO. | |
Describe the ring structures in building block <BB_246>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_246>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_246>. | **Token:** <BB_246>
**SMILES:** N#C[C@H](O)c1ccc(F)cc1
**Molecular Formula:** C8H6FNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_247>. | Cl.Cl.NC1CCN(CC2CCOCC2)CC1 | |
What is the building block token for the following molecule? | Cl.Cl.NC1CCN(CC2CCOCC2)CC1 | <BB_247> |
What is the molecular formula for <BB_247>? | The molecular formula for <BB_247> (Cl.Cl.NC1CCN(CC2CCOCC2)CC1) is C11H24Cl2N2O. | |
Describe the ring structures in building block <BB_247>. | 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_247>. | 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_247>. | **Token:** <BB_247>
**SMILES:** Cl.Cl.NC1CCN(CC2CCOCC2)CC1
**Molecular Formula:** C11H24Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic 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_248>. | Cl.Cl.NNCc1cccc(F)c1 | |
What is the building block token for the following molecule? | Cl.Cl.NNCc1cccc(F)c1 | <BB_248> |
What is the molecular formula for <BB_248>? | The molecular formula for <BB_248> (Cl.Cl.NNCc1cccc(F)c1) is C7H11Cl2FN2. | |
Describe the ring structures in building block <BB_248>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_248>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_248>. | **Token:** <BB_248>
**SMILES:** Cl.Cl.NNCc1cccc(F)c1
**Molecular Formula:** C7H11Cl2FN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_249>. | CC(C)CS(=O)(=O)N1CCNCC1.Cl | |
What is the building block token for the following molecule? | CC(C)CS(=O)(=O)N1CCNCC1.Cl | <BB_249> |
What is the molecular formula for <BB_249>? | The molecular formula for <BB_249> (CC(C)CS(=O)(=O)N1CCNCC1.Cl) is C8H19ClN2O2S. | |
Describe the ring structures in building block <BB_249>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_249>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_249>. | **Token:** <BB_249>
**SMILES:** CC(C)CS(=O)(=O)N1CCNCC1.Cl
**Molecular Formula:** C8H19ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide |
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