instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_500>. | Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21 | |
What is the building block token for the following molecule? | Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21 | <BB_500> |
What is the molecular formula for <BB_500>? | The molecular formula for <BB_500> (Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21) is C7H12ClNO2. | |
Describe the ring structures in building block <BB_500>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_500>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_500>. | **Token:** <BB_500>
**SMILES:** Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21
**Molecular Formula:** C7H12ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_501>. | O=C(O)C1CCCN1c1ccccc1 | |
What is the building block token for the following molecule? | O=C(O)C1CCCN1c1ccccc1 | <BB_501> |
What is the molecular formula for <BB_501>? | The molecular formula for <BB_501> (O=C(O)C1CCCN1c1ccccc1) is C11H13NO2. | |
Describe the ring structures in building block <BB_501>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_501>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_501>. | **Token:** <BB_501>
**SMILES:** O=C(O)C1CCCN1c1ccccc1
**Molecular Formula:** C11H13NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_502>. | Cl.OCCNC1CCCSC1 | |
What is the building block token for the following molecule? | Cl.OCCNC1CCCSC1 | <BB_502> |
What is the molecular formula for <BB_502>? | The molecular formula for <BB_502> (Cl.OCCNC1CCCSC1) is C7H16ClNOS. | |
Describe the ring structures in building block <BB_502>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_502>. | The molecule contains the following groups: Secondary Amine, Alcohol, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_502>. | **Token:** <BB_502>
**SMILES:** Cl.OCCNC1CCCSC1
**Molecular Formula:** C7H16ClNOS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_503>. | CC(=O)c1cc(Br)ccc1N | |
What is the building block token for the following molecule? | CC(=O)c1cc(Br)ccc1N | <BB_503> |
What is the molecular formula for <BB_503>? | The molecular formula for <BB_503> (CC(=O)c1cc(Br)ccc1N) is C8H8BrNO. | |
Describe the ring structures in building block <BB_503>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_503>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_503>. | **Token:** <BB_503>
**SMILES:** CC(=O)c1cc(Br)ccc1N
**Molecular Formula:** C8H8BrNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_504>. | [N-]=[N+]=NCc1ccnc(F)c1Cl | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1ccnc(F)c1Cl | <BB_504> |
What is the molecular formula for <BB_504>? | The molecular formula for <BB_504> ([N-]=[N+]=NCc1ccnc(F)c1Cl) is C6H4ClFN4. | |
Describe the ring structures in building block <BB_504>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_504>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_504>. | **Token:** <BB_504>
**SMILES:** [N-]=[N+]=NCc1ccnc(F)c1Cl
**Molecular Formula:** C6H4ClFN4
**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_505>. | Cc1cc(NC(N)=O)ccc1Br | |
What is the building block token for the following molecule? | Cc1cc(NC(N)=O)ccc1Br | <BB_505> |
What is the molecular formula for <BB_505>? | The molecular formula for <BB_505> (Cc1cc(NC(N)=O)ccc1Br) is C8H9BrN2O. | |
Describe the ring structures in building block <BB_505>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_505>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_505>. | **Token:** <BB_505>
**SMILES:** Cc1cc(NC(N)=O)ccc1Br
**Molecular Formula:** C8H9BrN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_506>. | C=C(NC(C)=O)C(=O)NCc1ccccc1 | |
What is the building block token for the following molecule? | C=C(NC(C)=O)C(=O)NCc1ccccc1 | <BB_506> |
What is the molecular formula for <BB_506>? | The molecular formula for <BB_506> (C=C(NC(C)=O)C(=O)NCc1ccccc1) is C12H14N2O2. | |
Describe the ring structures in building block <BB_506>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_506>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_506>. | **Token:** <BB_506>
**SMILES:** C=C(NC(C)=O)C(=O)NCc1ccccc1
**Molecular Formula:** C12H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_507>. | CCOC(=O)C1CC(Br)=NO1 | |
What is the building block token for the following molecule? | CCOC(=O)C1CC(Br)=NO1 | <BB_507> |
What is the molecular formula for <BB_507>? | The molecular formula for <BB_507> (CCOC(=O)C1CC(Br)=NO1) is C6H8BrNO3. | |
Describe the ring structures in building block <BB_507>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_507>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_507>. | **Token:** <BB_507>
**SMILES:** CCOC(=O)C1CC(Br)=NO1
**Molecular Formula:** C6H8BrNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_508>. | N#CC1CCN(C(=O)Cl)CC1 | |
What is the building block token for the following molecule? | N#CC1CCN(C(=O)Cl)CC1 | <BB_508> |
What is the molecular formula for <BB_508>? | The molecular formula for <BB_508> (N#CC1CCN(C(=O)Cl)CC1) is C7H9ClN2O. | |
Describe the ring structures in building block <BB_508>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_508>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_508>. | **Token:** <BB_508>
**SMILES:** N#CC1CCN(C(=O)Cl)CC1
**Molecular Formula:** C7H9ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_509>. | CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C | <BB_509> |
What is the molecular formula for <BB_509>? | The molecular formula for <BB_509> (CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C) is C12H24N4O2. | |
Describe the ring structures in building block <BB_509>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_509>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_509>. | **Token:** <BB_509>
**SMILES:** CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C
**Molecular Formula:** C12H24N4O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_510>. | COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C | |
What is the building block token for the following molecule? | COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C | <BB_510> |
What is the molecular formula for <BB_510>? | The molecular formula for <BB_510> (COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C) is C10H11N3O4S. | |
Describe the ring structures in building block <BB_510>. | 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_510>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_510>. | **Token:** <BB_510>
**SMILES:** COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C
**Molecular Formula:** C10H11N3O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_511>. | C=CC1=CCCN(C(=O)C(F)(F)F)C1 | |
What is the building block token for the following molecule? | C=CC1=CCCN(C(=O)C(F)(F)F)C1 | <BB_511> |
What is the molecular formula for <BB_511>? | The molecular formula for <BB_511> (C=CC1=CCCN(C(=O)C(F)(F)F)C1) is C9H10F3NO. | |
Describe the ring structures in building block <BB_511>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_511>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_511>. | **Token:** <BB_511>
**SMILES:** C=CC1=CCCN(C(=O)C(F)(F)F)C1
**Molecular Formula:** C9H10F3NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_512>. | NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1 | <BB_512> |
What is the molecular formula for <BB_512>? | The molecular formula for <BB_512> (NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1) is C7H5BrClNO4S. | |
Describe the ring structures in building block <BB_512>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_512>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_512>. | **Token:** <BB_512>
**SMILES:** NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1
**Molecular Formula:** C7H5BrClNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_513>. | Nc1cnc(-c2ncccn2)nc1 | |
What is the building block token for the following molecule? | Nc1cnc(-c2ncccn2)nc1 | <BB_513> |
What is the molecular formula for <BB_513>? | The molecular formula for <BB_513> (Nc1cnc(-c2ncccn2)nc1) is C8H7N5. | |
Describe the ring structures in building block <BB_513>. | 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_513>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_513>. | **Token:** <BB_513>
**SMILES:** Nc1cnc(-c2ncccn2)nc1
**Molecular Formula:** C8H7N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_514>. | CCOC(=O)COC(C)C | |
What is the building block token for the following molecule? | CCOC(=O)COC(C)C | <BB_514> |
What is the molecular formula for <BB_514>? | The molecular formula for <BB_514> (CCOC(=O)COC(C)C) is C7H14O3. | |
Describe the ring structures in building block <BB_514>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_514>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_514>. | **Token:** <BB_514>
**SMILES:** CCOC(=O)COC(C)C
**Molecular Formula:** C7H14O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_515>. | CC(C)(O)CNN.Cl | |
What is the building block token for the following molecule? | CC(C)(O)CNN.Cl | <BB_515> |
What is the molecular formula for <BB_515>? | The molecular formula for <BB_515> (CC(C)(O)CNN.Cl) is C4H13ClN2O. | |
Describe the ring structures in building block <BB_515>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_515>. | The molecule contains the following groups: Amine, Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_515>. | **Token:** <BB_515>
**SMILES:** CC(C)(O)CNN.Cl
**Molecular Formula:** C4H13ClN2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_516>. | O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F | <BB_516> |
What is the molecular formula for <BB_516>? | The molecular formula for <BB_516> (O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F) is C7H7F3N4O2. | |
Describe the ring structures in building block <BB_516>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. |
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