instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_466>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_466>. | **Token:** <BB_466>
**SMILES:** Cn1ncc(C#N)c1F
**Molecular Formula:** C5H4FN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_467>. | C[C@H](N)c1cccc(Cl)c1Cl.Cl | |
What is the building block token for the following molecule? | C[C@H](N)c1cccc(Cl)c1Cl.Cl | <BB_467> |
What is the molecular formula for <BB_467>? | The molecular formula for <BB_467> (C[C@H](N)c1cccc(Cl)c1Cl.Cl) is C8H10Cl3N. | |
Describe the ring structures in building block <BB_467>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_467>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_467>. | **Token:** <BB_467>
**SMILES:** C[C@H](N)c1cccc(Cl)c1Cl.Cl
**Molecular Formula:** C8H10Cl3N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_468>. | Cl.O=C(C1CCOCC1)N1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=C(C1CCOCC1)N1CCNCC1 | <BB_468> |
What is the molecular formula for <BB_468>? | The molecular formula for <BB_468> (Cl.O=C(C1CCOCC1)N1CCNCC1) is C10H19ClN2O2. | |
Describe the ring structures in building block <BB_468>. | 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_468>. | 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_468>. | **Token:** <BB_468>
**SMILES:** Cl.O=C(C1CCOCC1)N1CCNCC1
**Molecular Formula:** C10H19ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic 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_469>. | OCc1csc(C2OCCO2)n1 | |
What is the building block token for the following molecule? | OCc1csc(C2OCCO2)n1 | <BB_469> |
What is the molecular formula for <BB_469>? | The molecular formula for <BB_469> (OCc1csc(C2OCCO2)n1) is C7H9NO3S. | |
Describe the ring structures in building block <BB_469>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_469>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_469>. | **Token:** <BB_469>
**SMILES:** OCc1csc(C2OCCO2)n1
**Molecular Formula:** C7H9NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_470>. | c1cnoc1 | |
What is the building block token for the following molecule? | c1cnoc1 | <BB_470> |
What is the molecular formula for <BB_470>? | The molecular formula for <BB_470> (c1cnoc1) is C3H3NO. | |
Describe the ring structures in building block <BB_470>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_470>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_470>. | **Token:** <BB_470>
**SMILES:** c1cnoc1
**Molecular Formula:** C3H3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_471>. | O=C(NCC(F)(F)F)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(NCC(F)(F)F)c1ccccc1 | <BB_471> |
What is the molecular formula for <BB_471>? | The molecular formula for <BB_471> (O=C(NCC(F)(F)F)c1ccccc1) is C9H8F3NO. | |
Describe the ring structures in building block <BB_471>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_471>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_471>. | **Token:** <BB_471>
**SMILES:** O=C(NCC(F)(F)F)c1ccccc1
**Molecular Formula:** C9H8F3NO
**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_472>. | Nc1n[nH]c2cc(Br)ccc12 | |
What is the building block token for the following molecule? | Nc1n[nH]c2cc(Br)ccc12 | <BB_472> |
What is the molecular formula for <BB_472>? | The molecular formula for <BB_472> (Nc1n[nH]c2cc(Br)ccc12) is C7H6BrN3. | |
Describe the ring structures in building block <BB_472>. | 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_472>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_472>. | **Token:** <BB_472>
**SMILES:** Nc1n[nH]c2cc(Br)ccc12
**Molecular Formula:** C7H6BrN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_473>. | Cc1nn(C2CCCCO2)c(C)c1Br | |
What is the building block token for the following molecule? | Cc1nn(C2CCCCO2)c(C)c1Br | <BB_473> |
What is the molecular formula for <BB_473>? | The molecular formula for <BB_473> (Cc1nn(C2CCCCO2)c(C)c1Br) is C10H15BrN2O. | |
Describe the ring structures in building block <BB_473>. | 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_473>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_473>. | **Token:** <BB_473>
**SMILES:** Cc1nn(C2CCCCO2)c(C)c1Br
**Molecular Formula:** C10H15BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_474>. | Cc1ccc(N)nc1C(=O)O | |
What is the building block token for the following molecule? | Cc1ccc(N)nc1C(=O)O | <BB_474> |
What is the molecular formula for <BB_474>? | The molecular formula for <BB_474> (Cc1ccc(N)nc1C(=O)O) is C7H8N2O2. | |
Describe the ring structures in building block <BB_474>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_474>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_474>. | **Token:** <BB_474>
**SMILES:** Cc1ccc(N)nc1C(=O)O
**Molecular Formula:** C7H8N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_475>. | O=CCCc1ccccn1 | |
What is the building block token for the following molecule? | O=CCCc1ccccn1 | <BB_475> |
What is the molecular formula for <BB_475>? | The molecular formula for <BB_475> (O=CCCc1ccccn1) is C8H9NO. | |
Describe the ring structures in building block <BB_475>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_475>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_475>. | **Token:** <BB_475>
**SMILES:** O=CCCc1ccccn1
**Molecular Formula:** C8H9NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_476>. | C#CC1CCC2(CCC2)C1 | |
What is the building block token for the following molecule? | C#CC1CCC2(CCC2)C1 | <BB_476> |
What is the molecular formula for <BB_476>? | The molecular formula for <BB_476> (C#CC1CCC2(CCC2)C1) is C10H14. | |
Describe the ring structures in building block <BB_476>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_476>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_476>. | **Token:** <BB_476>
**SMILES:** C#CC1CCC2(CCC2)C1
**Molecular Formula:** C10H14
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_477>. | O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1 | <BB_477> |
What is the molecular formula for <BB_477>? | The molecular formula for <BB_477> (O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1) is C13H15NO. | |
Describe the ring structures in building block <BB_477>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_477>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_477>. | **Token:** <BB_477>
**SMILES:** O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1
**Molecular Formula:** C13H15NO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_478>. | CCOC(=O)[C@]1(C)C[C@H]1C(=O)O | |
What is the building block token for the following molecule? | CCOC(=O)[C@]1(C)C[C@H]1C(=O)O | <BB_478> |
What is the molecular formula for <BB_478>? | The molecular formula for <BB_478> (CCOC(=O)[C@]1(C)C[C@H]1C(=O)O) is C8H12O4. | |
Describe the ring structures in building block <BB_478>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_478>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_478>. | **Token:** <BB_478>
**SMILES:** CCOC(=O)[C@]1(C)C[C@H]1C(=O)O
**Molecular Formula:** C8H12O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_479>. | Cc1ccc(O)nc1Cl | |
What is the building block token for the following molecule? | Cc1ccc(O)nc1Cl | <BB_479> |
What is the molecular formula for <BB_479>? | The molecular formula for <BB_479> (Cc1ccc(O)nc1Cl) is C6H6ClNO. | |
Describe the ring structures in building block <BB_479>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_479>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_479>. | **Token:** <BB_479>
**SMILES:** Cc1ccc(O)nc1Cl
**Molecular Formula:** C6H6ClNO
**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_480>. | Clc1cc2c(nn1)-c1ccccc1CCC2 | |
What is the building block token for the following molecule? | Clc1cc2c(nn1)-c1ccccc1CCC2 | <BB_480> |
What is the molecular formula for <BB_480>? | The molecular formula for <BB_480> (Clc1cc2c(nn1)-c1ccccc1CCC2) is C13H11ClN2. | |
Describe the ring structures in building block <BB_480>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_480>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_480>. | **Token:** <BB_480>
**SMILES:** Clc1cc2c(nn1)-c1ccccc1CCC2
**Molecular Formula:** C13H11ClN2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_481>. | Cc1cc(I)cc(C(=O)O)c1 | |
What is the building block token for the following molecule? | Cc1cc(I)cc(C(=O)O)c1 | <BB_481> |
What is the molecular formula for <BB_481>? | The molecular formula for <BB_481> (Cc1cc(I)cc(C(=O)O)c1) is C8H7IO2. | |
Describe the ring structures in building block <BB_481>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_481>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_481>. | **Token:** <BB_481>
**SMILES:** Cc1cc(I)cc(C(=O)O)c1
**Molecular Formula:** C8H7IO2
**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_482>. | O=C1CCc2cc(O)ccc2O1 | |
What is the building block token for the following molecule? | O=C1CCc2cc(O)ccc2O1 | <BB_482> |
What is the molecular formula for <BB_482>? | The molecular formula for <BB_482> (O=C1CCc2cc(O)ccc2O1) is C9H8O3. | |
Describe the ring structures in building block <BB_482>. | 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_482>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_482>. | **Token:** <BB_482>
**SMILES:** O=C1CCc2cc(O)ccc2O1
**Molecular Formula:** C9H8O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_483>. | Cc1ncn(C)c1C(=O)[O-].[K+] | |
What is the building block token for the following molecule? | Cc1ncn(C)c1C(=O)[O-].[K+] | <BB_483> |
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