instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9766>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9766>. | **Token:** <BB_9766>
**SMILES:** CC1OC2(C)CC1(CO)C2
**Molecular Formula:** C8H14O2
**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:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9767>. | O=C(O)Cc1ccc(C(F)(F)F)c(Cl)c1 | |
What is the building block token for the following molecule? | O=C(O)Cc1ccc(C(F)(F)F)c(Cl)c1 | <BB_9767> |
What is the molecular formula for <BB_9767>? | The molecular formula for <BB_9767> (O=C(O)Cc1ccc(C(F)(F)F)c(Cl)c1) is C9H6ClF3O2. | |
Describe the ring structures in building block <BB_9767>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9767>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9767>. | **Token:** <BB_9767>
**SMILES:** O=C(O)Cc1ccc(C(F)(F)F)c(Cl)c1
**Molecular Formula:** C9H6ClF3O2
**Ring System:** The molecule contains 1 ring(s): 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_9768>. | Cc1nnc(NCc2ccco2)c(C(=O)O)c1C | |
What is the building block token for the following molecule? | Cc1nnc(NCc2ccco2)c(C(=O)O)c1C | <BB_9768> |
What is the molecular formula for <BB_9768>? | The molecular formula for <BB_9768> (Cc1nnc(NCc2ccco2)c(C(=O)O)c1C) is C12H13N3O3. | |
Describe the ring structures in building block <BB_9768>. | 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_9768>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9768>. | **Token:** <BB_9768>
**SMILES:** Cc1nnc(NCc2ccco2)c(C(=O)O)c1C
**Molecular Formula:** C12H13N3O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9769>. | C=Cc1ncccc1C(=O)[O-].[Li+] | |
What is the building block token for the following molecule? | C=Cc1ncccc1C(=O)[O-].[Li+] | <BB_9769> |
What is the molecular formula for <BB_9769>? | The molecular formula for <BB_9769> (C=Cc1ncccc1C(=O)[O-].[Li+]) is C8H6LiNO2. | |
Describe the ring structures in building block <BB_9769>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9769>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9769>. | **Token:** <BB_9769>
**SMILES:** C=Cc1ncccc1C(=O)[O-].[Li+]
**Molecular Formula:** C8H6LiNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9770>. | CC(N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.Cl | |
What is the building block token for the following molecule? | CC(N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.Cl | <BB_9770> |
What is the molecular formula for <BB_9770>? | The molecular formula for <BB_9770> (CC(N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.Cl) is C12H16ClNO4. | |
Describe the ring structures in building block <BB_9770>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9770>. | 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_9770>. | **Token:** <BB_9770>
**SMILES:** CC(N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.Cl
**Molecular Formula:** C12H16ClNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic 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_9771>. | COC(=O)c1cc2c(F)c(F)cc(F)c2[nH]1 | |
What is the building block token for the following molecule? | COC(=O)c1cc2c(F)c(F)cc(F)c2[nH]1 | <BB_9771> |
What is the molecular formula for <BB_9771>? | The molecular formula for <BB_9771> (COC(=O)c1cc2c(F)c(F)cc(F)c2[nH]1) is C10H6F3NO2. | |
Describe the ring structures in building block <BB_9771>. | 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_9771>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9771>. | **Token:** <BB_9771>
**SMILES:** COC(=O)c1cc2c(F)c(F)cc(F)c2[nH]1
**Molecular Formula:** C10H6F3NO2
**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_9772>. | CC1CCCC(=N)N1.Cl | |
What is the building block token for the following molecule? | CC1CCCC(=N)N1.Cl | <BB_9772> |
What is the molecular formula for <BB_9772>? | The molecular formula for <BB_9772> (CC1CCCC(=N)N1.Cl) is C6H13ClN2. | |
Describe the ring structures in building block <BB_9772>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9772>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9772>. | **Token:** <BB_9772>
**SMILES:** CC1CCCC(=N)N1.Cl
**Molecular Formula:** C6H13ClN2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9773>. | CCC(C)(N)C(N)=O | |
What is the building block token for the following molecule? | CCC(C)(N)C(N)=O | <BB_9773> |
What is the molecular formula for <BB_9773>? | The molecular formula for <BB_9773> (CCC(C)(N)C(N)=O) is C5H12N2O. | |
Describe the ring structures in building block <BB_9773>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9773>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9773>. | **Token:** <BB_9773>
**SMILES:** CCC(C)(N)C(N)=O
**Molecular Formula:** C5H12N2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9774>. | CC(C)c1ccc2c(c1)[C@H](N)CC2.Cl | |
What is the building block token for the following molecule? | CC(C)c1ccc2c(c1)[C@H](N)CC2.Cl | <BB_9774> |
What is the molecular formula for <BB_9774>? | The molecular formula for <BB_9774> (CC(C)c1ccc2c(c1)[C@H](N)CC2.Cl) is C12H18ClN. | |
Describe the ring structures in building block <BB_9774>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9774>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9774>. | **Token:** <BB_9774>
**SMILES:** CC(C)c1ccc2c(c1)[C@H](N)CC2.Cl
**Molecular Formula:** C12H18ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9775>. | CC(C)c1cc(C(C)C)c(S)c(C(C)C)c1 | |
What is the building block token for the following molecule? | CC(C)c1cc(C(C)C)c(S)c(C(C)C)c1 | <BB_9775> |
What is the molecular formula for <BB_9775>? | The molecular formula for <BB_9775> (CC(C)c1cc(C(C)C)c(S)c(C(C)C)c1) is C15H24S. | |
Describe the ring structures in building block <BB_9775>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9775>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_9775>. | **Token:** <BB_9775>
**SMILES:** CC(C)c1cc(C(C)C)c(S)c(C(C)C)c1
**Molecular Formula:** C15H24S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_9776>. | Cl.c1c[nH]c(-c2ccc3c(c2)OCCO3)n1 | |
What is the building block token for the following molecule? | Cl.c1c[nH]c(-c2ccc3c(c2)OCCO3)n1 | <BB_9776> |
What is the molecular formula for <BB_9776>? | The molecular formula for <BB_9776> (Cl.c1c[nH]c(-c2ccc3c(c2)OCCO3)n1) is C11H11ClN2O2. | |
Describe the ring structures in building block <BB_9776>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9776>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9776>. | **Token:** <BB_9776>
**SMILES:** Cl.c1c[nH]c(-c2ccc3c(c2)OCCO3)n1
**Molecular Formula:** C11H11ClN2O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9777>. | COC(=O)c1ccn(S(C)(=O)=O)n1 | |
What is the building block token for the following molecule? | COC(=O)c1ccn(S(C)(=O)=O)n1 | <BB_9777> |
What is the molecular formula for <BB_9777>? | The molecular formula for <BB_9777> (COC(=O)c1ccn(S(C)(=O)=O)n1) is C6H8N2O4S. | |
Describe the ring structures in building block <BB_9777>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9777>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9777>. | **Token:** <BB_9777>
**SMILES:** COC(=O)c1ccn(S(C)(=O)=O)n1
**Molecular Formula:** C6H8N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9778>. | O=C(Cl)CCc1cccc(Br)c1F | |
What is the building block token for the following molecule? | O=C(Cl)CCc1cccc(Br)c1F | <BB_9778> |
What is the molecular formula for <BB_9778>? | The molecular formula for <BB_9778> (O=C(Cl)CCc1cccc(Br)c1F) is C9H7BrClFO. | |
Describe the ring structures in building block <BB_9778>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9778>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9778>. | **Token:** <BB_9778>
**SMILES:** O=C(Cl)CCc1cccc(Br)c1F
**Molecular Formula:** C9H7BrClFO
**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_9779>. | Cl.O=C(c1cc(F)ccc1F)N1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=C(c1cc(F)ccc1F)N1CCNCC1 | <BB_9779> |
What is the molecular formula for <BB_9779>? | The molecular formula for <BB_9779> (Cl.O=C(c1cc(F)ccc1F)N1CCNCC1) is C11H13ClF2N2O. | |
Describe the ring structures in building block <BB_9779>. | 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_9779>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9779>. | **Token:** <BB_9779>
**SMILES:** Cl.O=C(c1cc(F)ccc1F)N1CCNCC1
**Molecular Formula:** C11H13ClF2N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9780>. | COC(=O)[C@H]1CCNC[C@H]1O.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@H]1CCNC[C@H]1O.Cl | <BB_9780> |
What is the molecular formula for <BB_9780>? | The molecular formula for <BB_9780> (COC(=O)[C@H]1CCNC[C@H]1O.Cl) is C7H14ClNO3. | |
Describe the ring structures in building block <BB_9780>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9780>. | The molecule contains the following groups: Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9780>. | **Token:** <BB_9780>
**SMILES:** COC(=O)[C@H]1CCNC[C@H]1O.Cl
**Molecular Formula:** C7H14ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9781>. | [N-]=[N+]=NCc1ncoc1C(F)(F)F | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1ncoc1C(F)(F)F | <BB_9781> |
What is the molecular formula for <BB_9781>? | The molecular formula for <BB_9781> ([N-]=[N+]=NCc1ncoc1C(F)(F)F) is C5H3F3N4O. | |
Describe the ring structures in building block <BB_9781>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9781>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9781>. | **Token:** <BB_9781>
**SMILES:** [N-]=[N+]=NCc1ncoc1C(F)(F)F
**Molecular Formula:** C5H3F3N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9782>. | O=C(O)C(=O)Cc1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(O)C(=O)Cc1ccc(F)cc1 | <BB_9782> |
What is the molecular formula for <BB_9782>? | The molecular formula for <BB_9782> (O=C(O)C(=O)Cc1ccc(F)cc1) is C9H7FO3. | |
Describe the ring structures in building block <BB_9782>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9782>. | The molecule contains the following groups: Carboxylic Acid, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9782>. | **Token:** <BB_9782>
**SMILES:** O=C(O)C(=O)Cc1ccc(F)cc1
**Molecular Formula:** C9H7FO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9783>. | C1Cc2nc(C3CCNCC3)sc2C1.Cl | |
What is the building block token for the following molecule? | C1Cc2nc(C3CCNCC3)sc2C1.Cl | <BB_9783> |
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