instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_2316>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2316>. | **Token:** <BB_2316>
**SMILES:** Cc1cc(C)c2c(=O)[nH]sc2n1
**Molecular Formula:** C8H8N2OS
**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_2317>. | CC(C)(C)OC(=O)C12CCC(CO)(CC1)CC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)C12CCC(CO)(CC1)CC2 | <BB_2317> |
What is the molecular formula for <BB_2317>? | The molecular formula for <BB_2317> (CC(C)(C)OC(=O)C12CCC(CO)(CC1)CC2) is C14H24O3. | |
Describe the ring structures in building block <BB_2317>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2317>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2317>. | **Token:** <BB_2317>
**SMILES:** CC(C)(C)OC(=O)C12CCC(CO)(CC1)CC2
**Molecular Formula:** C14H24O3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2318>. | ClCc1cn(-c2ccc(Cl)cc2)nn1 | |
What is the building block token for the following molecule? | ClCc1cn(-c2ccc(Cl)cc2)nn1 | <BB_2318> |
What is the molecular formula for <BB_2318>? | The molecular formula for <BB_2318> (ClCc1cn(-c2ccc(Cl)cc2)nn1) is C9H7Cl2N3. | |
Describe the ring structures in building block <BB_2318>. | 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_2318>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2318>. | **Token:** <BB_2318>
**SMILES:** ClCc1cn(-c2ccc(Cl)cc2)nn1
**Molecular Formula:** C9H7Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2319>. | CC(C)(C)OC(=O)N1CCC(C23CC(I)(C2)C3)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(C23CC(I)(C2)C3)C1 | <BB_2319> |
What is the molecular formula for <BB_2319>? | The molecular formula for <BB_2319> (CC(C)(C)OC(=O)N1CCC(C23CC(I)(C2)C3)C1) is C14H22INO2. | |
Describe the ring structures in building block <BB_2319>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2319>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2319>. | **Token:** <BB_2319>
**SMILES:** CC(C)(C)OC(=O)N1CCC(C23CC(I)(C2)C3)C1
**Molecular Formula:** C14H22INO2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2320>. | C#CC(C)(C)NC.Cl | |
What is the building block token for the following molecule? | C#CC(C)(C)NC.Cl | <BB_2320> |
What is the molecular formula for <BB_2320>? | The molecular formula for <BB_2320> (C#CC(C)(C)NC.Cl) is C6H12ClN. | |
Describe the ring structures in building block <BB_2320>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2320>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2320>. | **Token:** <BB_2320>
**SMILES:** C#CC(C)(C)NC.Cl
**Molecular Formula:** C6H12ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2321>. | CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2Cl)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2Cl)C1 | <BB_2321> |
What is the molecular formula for <BB_2321>? | The molecular formula for <BB_2321> (CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2Cl)C1) is C14H18ClNO3. | |
Describe the ring structures in building block <BB_2321>. | 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_2321>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2321>. | **Token:** <BB_2321>
**SMILES:** CC(C)(C)OC(=O)N1CCc2c(ccc(O)c2Cl)C1
**Molecular Formula:** C14H18ClNO3
**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_2322>. | Cl.NCc1sc(Cl)nc1Cl | |
What is the building block token for the following molecule? | Cl.NCc1sc(Cl)nc1Cl | <BB_2322> |
What is the molecular formula for <BB_2322>? | The molecular formula for <BB_2322> (Cl.NCc1sc(Cl)nc1Cl) is C4H5Cl3N2S. | |
Describe the ring structures in building block <BB_2322>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2322>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2322>. | **Token:** <BB_2322>
**SMILES:** Cl.NCc1sc(Cl)nc1Cl
**Molecular Formula:** C4H5Cl3N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2323>. | CCC1CC(C)CN1.Cl | |
What is the building block token for the following molecule? | CCC1CC(C)CN1.Cl | <BB_2323> |
What is the molecular formula for <BB_2323>? | The molecular formula for <BB_2323> (CCC1CC(C)CN1.Cl) is C7H16ClN. | |
Describe the ring structures in building block <BB_2323>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2323>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2323>. | **Token:** <BB_2323>
**SMILES:** CCC1CC(C)CN1.Cl
**Molecular Formula:** C7H16ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2324>. | COC(=O)c1cccc(CCO)c1 | |
What is the building block token for the following molecule? | COC(=O)c1cccc(CCO)c1 | <BB_2324> |
What is the molecular formula for <BB_2324>? | The molecular formula for <BB_2324> (COC(=O)c1cccc(CCO)c1) is C10H12O3. | |
Describe the ring structures in building block <BB_2324>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2324>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2324>. | **Token:** <BB_2324>
**SMILES:** COC(=O)c1cccc(CCO)c1
**Molecular Formula:** C10H12O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2325>. | Cn1cc(S(N)(=O)=O)c2c(Br)cccc21 | |
What is the building block token for the following molecule? | Cn1cc(S(N)(=O)=O)c2c(Br)cccc21 | <BB_2325> |
What is the molecular formula for <BB_2325>? | The molecular formula for <BB_2325> (Cn1cc(S(N)(=O)=O)c2c(Br)cccc21) is C9H9BrN2O2S. | |
Describe the ring structures in building block <BB_2325>. | 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_2325>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2325>. | **Token:** <BB_2325>
**SMILES:** Cn1cc(S(N)(=O)=O)c2c(Br)cccc21
**Molecular Formula:** C9H9BrN2O2S
**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), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2326>. | NNC(=O)COc1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | NNC(=O)COc1ccc(Cl)cc1 | <BB_2326> |
What is the molecular formula for <BB_2326>? | The molecular formula for <BB_2326> (NNC(=O)COc1ccc(Cl)cc1) is C8H9ClN2O2. | |
Describe the ring structures in building block <BB_2326>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2326>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2326>. | **Token:** <BB_2326>
**SMILES:** NNC(=O)COc1ccc(Cl)cc1
**Molecular Formula:** C8H9ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2327>. | CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@@H](N)C2.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@@H](N)C2.Cl | <BB_2327> |
What is the molecular formula for <BB_2327>? | The molecular formula for <BB_2327> (CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@@H](N)C2.Cl) is C12H23ClN2O3. | |
Describe the ring structures in building block <BB_2327>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2327>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2327>. | **Token:** <BB_2327>
**SMILES:** CC(C)(C)OC(=O)N1CCO[C@]2(C1)C[C@@H](N)C2.Cl
**Molecular Formula:** C12H23ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2328>. | C=C(CBr)C(=O)OC | |
What is the building block token for the following molecule? | C=C(CBr)C(=O)OC | <BB_2328> |
What is the molecular formula for <BB_2328>? | The molecular formula for <BB_2328> (C=C(CBr)C(=O)OC) is C5H7BrO2. | |
Describe the ring structures in building block <BB_2328>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2328>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2328>. | **Token:** <BB_2328>
**SMILES:** C=C(CBr)C(=O)OC
**Molecular Formula:** C5H7BrO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2329>. | Cn1cnn(CCC(=O)O)c1=O | |
What is the building block token for the following molecule? | Cn1cnn(CCC(=O)O)c1=O | <BB_2329> |
What is the molecular formula for <BB_2329>? | The molecular formula for <BB_2329> (Cn1cnn(CCC(=O)O)c1=O) is C6H9N3O3. | |
Describe the ring structures in building block <BB_2329>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2329>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2329>. | **Token:** <BB_2329>
**SMILES:** Cn1cnn(CCC(=O)O)c1=O
**Molecular Formula:** C6H9N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2330>. | C[C@H](O)c1ccc(F)cc1Br | |
What is the building block token for the following molecule? | C[C@H](O)c1ccc(F)cc1Br | <BB_2330> |
What is the molecular formula for <BB_2330>? | The molecular formula for <BB_2330> (C[C@H](O)c1ccc(F)cc1Br) is C8H8BrFO. | |
Describe the ring structures in building block <BB_2330>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2330>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2330>. | **Token:** <BB_2330>
**SMILES:** C[C@H](O)c1ccc(F)cc1Br
**Molecular Formula:** C8H8BrFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2331>. | [N-]=[N+]=Nc1ccc(OCCOCCO)cc1 | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1ccc(OCCOCCO)cc1 | <BB_2331> |
What is the molecular formula for <BB_2331>? | The molecular formula for <BB_2331> ([N-]=[N+]=Nc1ccc(OCCOCCO)cc1) is C10H13N3O3. | |
Describe the ring structures in building block <BB_2331>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2331>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2331>. | **Token:** <BB_2331>
**SMILES:** [N-]=[N+]=Nc1ccc(OCCOCCO)cc1
**Molecular Formula:** C10H13N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2332>. | O=[N+]([O-])c1ccc(CCO)c(F)c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc(CCO)c(F)c1 | <BB_2332> |
What is the molecular formula for <BB_2332>? | The molecular formula for <BB_2332> (O=[N+]([O-])c1ccc(CCO)c(F)c1) is C8H8FNO3. | |
Describe the ring structures in building block <BB_2332>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2332>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2332>. | **Token:** <BB_2332>
**SMILES:** O=[N+]([O-])c1ccc(CCO)c(F)c1
**Molecular Formula:** C8H8FNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2333>. | Nc1nc2c(Br)cc(F)cc2s1 | |
What is the building block token for the following molecule? | Nc1nc2c(Br)cc(F)cc2s1 | <BB_2333> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.