instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9716>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9716>. | **Token:** <BB_9716>
**SMILES:** Fc1cc2nc(Cl)ccc2c(F)c1Br
**Molecular Formula:** C9H3BrClF2N
**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_9717>. | O=Cc1ncc(C(F)(F)F)cc1C(F)(F)F | |
What is the building block token for the following molecule? | O=Cc1ncc(C(F)(F)F)cc1C(F)(F)F | <BB_9717> |
What is the molecular formula for <BB_9717>? | The molecular formula for <BB_9717> (O=Cc1ncc(C(F)(F)F)cc1C(F)(F)F) is C8H3F6NO. | |
Describe the ring structures in building block <BB_9717>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9717>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9717>. | **Token:** <BB_9717>
**SMILES:** O=Cc1ncc(C(F)(F)F)cc1C(F)(F)F
**Molecular Formula:** C8H3F6NO
**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_9718>. | COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 | <BB_9718> |
What is the molecular formula for <BB_9718>? | The molecular formula for <BB_9718> (COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1) is C13H10Cl2O4. | |
Describe the ring structures in building block <BB_9718>. | 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_9718>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9718>. | **Token:** <BB_9718>
**SMILES:** COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
**Molecular Formula:** C13H10Cl2O4
**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_9719>. | CC(C)(C)OC(=O)N1CCn2c(cnc2N)C1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCn2c(cnc2N)C1.Cl | <BB_9719> |
What is the molecular formula for <BB_9719>? | The molecular formula for <BB_9719> (CC(C)(C)OC(=O)N1CCn2c(cnc2N)C1.Cl) is C11H19ClN4O2. | |
Describe the ring structures in building block <BB_9719>. | 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_9719>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9719>. | **Token:** <BB_9719>
**SMILES:** CC(C)(C)OC(=O)N1CCn2c(cnc2N)C1.Cl
**Molecular Formula:** C11H19ClN4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9720>. | c1csc(C2CNCCO2)n1 | |
What is the building block token for the following molecule? | c1csc(C2CNCCO2)n1 | <BB_9720> |
What is the molecular formula for <BB_9720>? | The molecular formula for <BB_9720> (c1csc(C2CNCCO2)n1) is C7H10N2OS. | |
Describe the ring structures in building block <BB_9720>. | 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_9720>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9720>. | **Token:** <BB_9720>
**SMILES:** c1csc(C2CNCCO2)n1
**Molecular Formula:** C7H10N2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9721>. | COC(=O)c1c(Cl)cnc(Br)c1Br | |
What is the building block token for the following molecule? | COC(=O)c1c(Cl)cnc(Br)c1Br | <BB_9721> |
What is the molecular formula for <BB_9721>? | The molecular formula for <BB_9721> (COC(=O)c1c(Cl)cnc(Br)c1Br) is C7H4Br2ClNO2. | |
Describe the ring structures in building block <BB_9721>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9721>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9721>. | **Token:** <BB_9721>
**SMILES:** COC(=O)c1c(Cl)cnc(Br)c1Br
**Molecular Formula:** C7H4Br2ClNO2
**Ring System:** The molecule contains 1 ring(s): 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_9722>. | COC(=O)c1n[nH]c(C)c1Cl | |
What is the building block token for the following molecule? | COC(=O)c1n[nH]c(C)c1Cl | <BB_9722> |
What is the molecular formula for <BB_9722>? | The molecular formula for <BB_9722> (COC(=O)c1n[nH]c(C)c1Cl) is C6H7ClN2O2. | |
Describe the ring structures in building block <BB_9722>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9722>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9722>. | **Token:** <BB_9722>
**SMILES:** COC(=O)c1n[nH]c(C)c1Cl
**Molecular Formula:** C6H7ClN2O2
**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_9723>. | CCN(CC1COc2ccccc2O1)C(=O)CCl | |
What is the building block token for the following molecule? | CCN(CC1COc2ccccc2O1)C(=O)CCl | <BB_9723> |
What is the molecular formula for <BB_9723>? | The molecular formula for <BB_9723> (CCN(CC1COc2ccccc2O1)C(=O)CCl) is C13H16ClNO3. | |
Describe the ring structures in building block <BB_9723>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9723>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9723>. | **Token:** <BB_9723>
**SMILES:** CCN(CC1COc2ccccc2O1)C(=O)CCl
**Molecular Formula:** C13H16ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9724>. | CC(C)(C)OC(=O)NCCC1CCCNC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCC1CCCNC1 | <BB_9724> |
What is the molecular formula for <BB_9724>? | The molecular formula for <BB_9724> (CC(C)(C)OC(=O)NCCC1CCCNC1) is C12H24N2O2. | |
Describe the ring structures in building block <BB_9724>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9724>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9724>. | **Token:** <BB_9724>
**SMILES:** CC(C)(C)OC(=O)NCCC1CCCNC1
**Molecular Formula:** C12H24N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9725>. | CS(=O)(=O)c1ccncc1N | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccncc1N | <BB_9725> |
What is the molecular formula for <BB_9725>? | The molecular formula for <BB_9725> (CS(=O)(=O)c1ccncc1N) is C6H8N2O2S. | |
Describe the ring structures in building block <BB_9725>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9725>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9725>. | **Token:** <BB_9725>
**SMILES:** CS(=O)(=O)c1ccncc1N
**Molecular Formula:** C6H8N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9726>. | Cl.NC12CC(c3ccccc3)(C1)CS(=O)(=O)C2 | |
What is the building block token for the following molecule? | Cl.NC12CC(c3ccccc3)(C1)CS(=O)(=O)C2 | <BB_9726> |
What is the molecular formula for <BB_9726>? | The molecular formula for <BB_9726> (Cl.NC12CC(c3ccccc3)(C1)CS(=O)(=O)C2) is C12H16ClNO2S. | |
Describe the ring structures in building block <BB_9726>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9726>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9726>. | **Token:** <BB_9726>
**SMILES:** Cl.NC12CC(c3ccccc3)(C1)CS(=O)(=O)C2
**Molecular Formula:** C12H16ClNO2S
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9727>. | COC(=O)Nc1nc2c(C)cccc2[nH]1 | |
What is the building block token for the following molecule? | COC(=O)Nc1nc2c(C)cccc2[nH]1 | <BB_9727> |
What is the molecular formula for <BB_9727>? | The molecular formula for <BB_9727> (COC(=O)Nc1nc2c(C)cccc2[nH]1) is C10H11N3O2. | |
Describe the ring structures in building block <BB_9727>. | 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_9727>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9727>. | **Token:** <BB_9727>
**SMILES:** COC(=O)Nc1nc2c(C)cccc2[nH]1
**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:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9728>. | CCCCCCCC(=O)c1ccc(O)cc1 | |
What is the building block token for the following molecule? | CCCCCCCC(=O)c1ccc(O)cc1 | <BB_9728> |
What is the molecular formula for <BB_9728>? | The molecular formula for <BB_9728> (CCCCCCCC(=O)c1ccc(O)cc1) is C14H20O2. | |
Describe the ring structures in building block <BB_9728>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9728>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9728>. | **Token:** <BB_9728>
**SMILES:** CCCCCCCC(=O)c1ccc(O)cc1
**Molecular Formula:** C14H20O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_9729>. | O=C(O)/C=C/c1ccc(OCc2ccccn2)cc1 | |
What is the building block token for the following molecule? | O=C(O)/C=C/c1ccc(OCc2ccccn2)cc1 | <BB_9729> |
What is the molecular formula for <BB_9729>? | The molecular formula for <BB_9729> (O=C(O)/C=C/c1ccc(OCc2ccccn2)cc1) is C15H13NO3. | |
Describe the ring structures in building block <BB_9729>. | 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_9729>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9729>. | **Token:** <BB_9729>
**SMILES:** O=C(O)/C=C/c1ccc(OCc2ccccn2)cc1
**Molecular Formula:** C15H13NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9730>. | Cn1nnnc1NC=O | |
What is the building block token for the following molecule? | Cn1nnnc1NC=O | <BB_9730> |
What is the molecular formula for <BB_9730>? | The molecular formula for <BB_9730> (Cn1nnnc1NC=O) is C3H5N5O. | |
Describe the ring structures in building block <BB_9730>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9730>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9730>. | **Token:** <BB_9730>
**SMILES:** Cn1nnnc1NC=O
**Molecular Formula:** C3H5N5O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9731>. | C#C[C@@H](C)N.Cl | |
What is the building block token for the following molecule? | C#C[C@@H](C)N.Cl | <BB_9731> |
What is the molecular formula for <BB_9731>? | The molecular formula for <BB_9731> (C#C[C@@H](C)N.Cl) is C4H8ClN. | |
Describe the ring structures in building block <BB_9731>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9731>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9731>. | **Token:** <BB_9731>
**SMILES:** C#C[C@@H](C)N.Cl
**Molecular Formula:** C4H8ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9732>. | O=C(O)c1cnn(CC(F)(F)F)n1 | |
What is the building block token for the following molecule? | O=C(O)c1cnn(CC(F)(F)F)n1 | <BB_9732> |
What is the molecular formula for <BB_9732>? | The molecular formula for <BB_9732> (O=C(O)c1cnn(CC(F)(F)F)n1) is C5H4F3N3O2. | |
Describe the ring structures in building block <BB_9732>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9732>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9732>. | **Token:** <BB_9732>
**SMILES:** O=C(O)c1cnn(CC(F)(F)F)n1
**Molecular Formula:** C5H4F3N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9733>. | CCN1CC(C)C(N)C1 | |
What is the building block token for the following molecule? | CCN1CC(C)C(N)C1 | <BB_9733> |
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