instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_716>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_716>. | **Token:** <BB_716>
**SMILES:** O=C(O)c1ccccc1CS(=O)(=O)c1ccccc1
**Molecular Formula:** C14H12O4S
**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_717>. | [Na+].[S-]c1nnc2ncccn12 | |
What is the building block token for the following molecule? | [Na+].[S-]c1nnc2ncccn12 | <BB_717> |
What is the molecular formula for <BB_717>? | The molecular formula for <BB_717> ([Na+].[S-]c1nnc2ncccn12) is C5H3N4NaS. | |
Describe the ring structures in building block <BB_717>. | 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_717>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_717>. | **Token:** <BB_717>
**SMILES:** [Na+].[S-]c1nnc2ncccn12
**Molecular Formula:** C5H3N4NaS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_718>. | CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1 | |
What is the building block token for the following molecule? | CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1 | <BB_718> |
What is the molecular formula for <BB_718>? | The molecular formula for <BB_718> (CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1) is C13H14ClNO2. | |
Describe the ring structures in building block <BB_718>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_718>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_718>. | **Token:** <BB_718>
**SMILES:** CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1
**Molecular Formula:** C13H14ClNO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_719>. | CC(C)(C)OC(=O)N1CCNc2ccccc2C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCNc2ccccc2C1 | <BB_719> |
What is the molecular formula for <BB_719>? | The molecular formula for <BB_719> (CC(C)(C)OC(=O)N1CCNc2ccccc2C1) is C14H20N2O2. | |
Describe the ring structures in building block <BB_719>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_719>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_719>. | **Token:** <BB_719>
**SMILES:** CC(C)(C)OC(=O)N1CCNc2ccccc2C1
**Molecular Formula:** C14H20N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_720>. | O=C(CC(=O)C(F)(F)F)C(F)(F)F | |
What is the building block token for the following molecule? | O=C(CC(=O)C(F)(F)F)C(F)(F)F | <BB_720> |
What is the molecular formula for <BB_720>? | The molecular formula for <BB_720> (O=C(CC(=O)C(F)(F)F)C(F)(F)F) is C5H2F6O2. | |
Describe the ring structures in building block <BB_720>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_720>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_720>. | **Token:** <BB_720>
**SMILES:** O=C(CC(=O)C(F)(F)F)C(F)(F)F
**Molecular Formula:** C5H2F6O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_721>. | O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1 | <BB_721> |
What is the molecular formula for <BB_721>? | The molecular formula for <BB_721> (O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1) is C13H8ClFO2. | |
Describe the ring structures in building block <BB_721>. | 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_721>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_721>. | **Token:** <BB_721>
**SMILES:** O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1
**Molecular Formula:** C13H8ClFO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_722>. | CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N | <BB_722> |
What is the molecular formula for <BB_722>? | The molecular formula for <BB_722> (CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N) is C11H16F2N2O2. | |
Describe the ring structures in building block <BB_722>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_722>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_722>. | **Token:** <BB_722>
**SMILES:** CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N
**Molecular Formula:** C11H16F2N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_723>. | CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1 | <BB_723> |
What is the molecular formula for <BB_723>? | The molecular formula for <BB_723> (CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1) is C12H17N3O3. | |
Describe the ring structures in building block <BB_723>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_723>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_723>. | **Token:** <BB_723>
**SMILES:** CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1
**Molecular Formula:** C12H17N3O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_724>. | O=c1ccc(-c2nccs2)c[nH]1 | |
What is the building block token for the following molecule? | O=c1ccc(-c2nccs2)c[nH]1 | <BB_724> |
What is the molecular formula for <BB_724>? | The molecular formula for <BB_724> (O=c1ccc(-c2nccs2)c[nH]1) is C8H6N2OS. | |
Describe the ring structures in building block <BB_724>. | 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_724>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_724>. | **Token:** <BB_724>
**SMILES:** O=c1ccc(-c2nccs2)c[nH]1
**Molecular Formula:** C8H6N2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_725>. | CN1CCNC[C@@H]1C(F)F.Cl.Cl | |
What is the building block token for the following molecule? | CN1CCNC[C@@H]1C(F)F.Cl.Cl | <BB_725> |
What is the molecular formula for <BB_725>? | The molecular formula for <BB_725> (CN1CCNC[C@@H]1C(F)F.Cl.Cl) is C6H14Cl2F2N2. | |
Describe the ring structures in building block <BB_725>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_725>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_725>. | **Token:** <BB_725>
**SMILES:** CN1CCNC[C@@H]1C(F)F.Cl.Cl
**Molecular Formula:** C6H14Cl2F2N2
**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) | |
Provide the SMILES representation for the building block token <BB_726>. | O=C(CCl)c1cc(Br)cs1 | |
What is the building block token for the following molecule? | O=C(CCl)c1cc(Br)cs1 | <BB_726> |
What is the molecular formula for <BB_726>? | The molecular formula for <BB_726> (O=C(CCl)c1cc(Br)cs1) is C6H4BrClOS. | |
Describe the ring structures in building block <BB_726>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_726>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_726>. | **Token:** <BB_726>
**SMILES:** O=C(CCl)c1cc(Br)cs1
**Molecular Formula:** C6H4BrClOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_727>. | Cl.N[C@H]1CC[C@@H](C(=O)O)C1 | |
What is the building block token for the following molecule? | Cl.N[C@H]1CC[C@@H](C(=O)O)C1 | <BB_727> |
What is the molecular formula for <BB_727>? | The molecular formula for <BB_727> (Cl.N[C@H]1CC[C@@H](C(=O)O)C1) is C6H12ClNO2. | |
Describe the ring structures in building block <BB_727>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_727>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_727>. | **Token:** <BB_727>
**SMILES:** Cl.N[C@H]1CC[C@@H](C(=O)O)C1
**Molecular Formula:** C6H12ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_728>. | CNCC(=O)Nc1cc(Cl)ccc1OC | |
What is the building block token for the following molecule? | CNCC(=O)Nc1cc(Cl)ccc1OC | <BB_728> |
What is the molecular formula for <BB_728>? | The molecular formula for <BB_728> (CNCC(=O)Nc1cc(Cl)ccc1OC) is C10H13ClN2O2. | |
Describe the ring structures in building block <BB_728>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_728>. | 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_728>. | **Token:** <BB_728>
**SMILES:** CNCC(=O)Nc1cc(Cl)ccc1OC
**Molecular Formula:** C10H13ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_729>. | CC1(N)CCN(C(=O)OC(C)(C)C)CC1 | |
What is the building block token for the following molecule? | CC1(N)CCN(C(=O)OC(C)(C)C)CC1 | <BB_729> |
What is the molecular formula for <BB_729>? | The molecular formula for <BB_729> (CC1(N)CCN(C(=O)OC(C)(C)C)CC1) is C11H22N2O2. | |
Describe the ring structures in building block <BB_729>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_729>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_729>. | **Token:** <BB_729>
**SMILES:** CC1(N)CCN(C(=O)OC(C)(C)C)CC1
**Molecular Formula:** C11H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_730>. | Cc1ncsc1CCCN | |
What is the building block token for the following molecule? | Cc1ncsc1CCCN | <BB_730> |
What is the molecular formula for <BB_730>? | The molecular formula for <BB_730> (Cc1ncsc1CCCN) is C7H12N2S. | |
Describe the ring structures in building block <BB_730>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_730>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_730>. | **Token:** <BB_730>
**SMILES:** Cc1ncsc1CCCN
**Molecular Formula:** C7H12N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_731>. | COCCC(=O)C(C)(C)C | |
What is the building block token for the following molecule? | COCCC(=O)C(C)(C)C | <BB_731> |
What is the molecular formula for <BB_731>? | The molecular formula for <BB_731> (COCCC(=O)C(C)(C)C) is C8H16O2. | |
Describe the ring structures in building block <BB_731>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_731>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_731>. | **Token:** <BB_731>
**SMILES:** COCCC(=O)C(C)(C)C
**Molecular Formula:** C8H16O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_732>. | Clc1cccc2cccc(Br)c12 | |
What is the building block token for the following molecule? | Clc1cccc2cccc(Br)c12 | <BB_732> |
What is the molecular formula for <BB_732>? | The molecular formula for <BB_732> (Clc1cccc2cccc(Br)c12) is C10H6BrCl. | |
Describe the ring structures in building block <BB_732>. | 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_732>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_732>. | **Token:** <BB_732>
**SMILES:** Clc1cccc2cccc(Br)c12
**Molecular Formula:** C10H6BrCl
**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_733>. | Clc1ccccc1-c1nnc(CNC2CC2)o1 | |
What is the building block token for the following molecule? | Clc1ccccc1-c1nnc(CNC2CC2)o1 | <BB_733> |
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