instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2700>. | CC(C)NCC(O)c1ccccc1 | |
What is the building block token for the following molecule? | CC(C)NCC(O)c1ccccc1 | <BB_2700> |
What is the molecular formula for <BB_2700>? | The molecular formula for <BB_2700> (CC(C)NCC(O)c1ccccc1) is C11H17NO. | |
Describe the ring structures in building block <BB_2700>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2700>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2700>. | **Token:** <BB_2700>
**SMILES:** CC(C)NCC(O)c1ccccc1
**Molecular Formula:** C11H17NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_2701>. | BrCCc1ccc(Br)cc1 | |
What is the building block token for the following molecule? | BrCCc1ccc(Br)cc1 | <BB_2701> |
What is the molecular formula for <BB_2701>? | The molecular formula for <BB_2701> (BrCCc1ccc(Br)cc1) is C8H8Br2. | |
Describe the ring structures in building block <BB_2701>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2701>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2701>. | **Token:** <BB_2701>
**SMILES:** BrCCc1ccc(Br)cc1
**Molecular Formula:** C8H8Br2
**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_2702>. | ClCc1cc(Cl)cc2c1OC(c1ccccc1)OC2 | |
What is the building block token for the following molecule? | ClCc1cc(Cl)cc2c1OC(c1ccccc1)OC2 | <BB_2702> |
What is the molecular formula for <BB_2702>? | The molecular formula for <BB_2702> (ClCc1cc(Cl)cc2c1OC(c1ccccc1)OC2) is C15H12Cl2O2. | |
Describe the ring structures in building block <BB_2702>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2702>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2702>. | **Token:** <BB_2702>
**SMILES:** ClCc1cc(Cl)cc2c1OC(c1ccccc1)OC2
**Molecular Formula:** C15H12Cl2O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2703>. | COc1cccc(OCC(N)c2ccccc2)c1 | |
What is the building block token for the following molecule? | COc1cccc(OCC(N)c2ccccc2)c1 | <BB_2703> |
What is the molecular formula for <BB_2703>? | The molecular formula for <BB_2703> (COc1cccc(OCC(N)c2ccccc2)c1) is C15H17NO2. | |
Describe the ring structures in building block <BB_2703>. | 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_2703>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2703>. | **Token:** <BB_2703>
**SMILES:** COc1cccc(OCC(N)c2ccccc2)c1
**Molecular Formula:** C15H17NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2704>. | C[C@H](CN)c1nc(-c2cn[nH]c2)no1.Cl.Cl | |
What is the building block token for the following molecule? | C[C@H](CN)c1nc(-c2cn[nH]c2)no1.Cl.Cl | <BB_2704> |
What is the molecular formula for <BB_2704>? | The molecular formula for <BB_2704> (C[C@H](CN)c1nc(-c2cn[nH]c2)no1.Cl.Cl) is C8H13Cl2N5O. | |
Describe the ring structures in building block <BB_2704>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2704>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2704>. | **Token:** <BB_2704>
**SMILES:** C[C@H](CN)c1nc(-c2cn[nH]c2)no1.Cl.Cl
**Molecular Formula:** C8H13Cl2N5O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2705>. | COc1ccc(N=[N+]=[N-])cc1F | |
What is the building block token for the following molecule? | COc1ccc(N=[N+]=[N-])cc1F | <BB_2705> |
What is the molecular formula for <BB_2705>? | The molecular formula for <BB_2705> (COc1ccc(N=[N+]=[N-])cc1F) is C7H6FN3O. | |
Describe the ring structures in building block <BB_2705>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2705>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2705>. | **Token:** <BB_2705>
**SMILES:** COc1ccc(N=[N+]=[N-])cc1F
**Molecular Formula:** C7H6FN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2706>. | COc1ccccc1C12CNCC(CO)(C1)C2 | |
What is the building block token for the following molecule? | COc1ccccc1C12CNCC(CO)(C1)C2 | <BB_2706> |
What is the molecular formula for <BB_2706>? | The molecular formula for <BB_2706> (COc1ccccc1C12CNCC(CO)(C1)C2) is C14H19NO2. | |
Describe the ring structures in building block <BB_2706>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2706>. | The molecule contains the following groups: Secondary Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2706>. | **Token:** <BB_2706>
**SMILES:** COc1ccccc1C12CNCC(CO)(C1)C2
**Molecular Formula:** C14H19NO2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2707>. | CC(CCNC(=O)OC(C)(C)C)C(=O)O | |
What is the building block token for the following molecule? | CC(CCNC(=O)OC(C)(C)C)C(=O)O | <BB_2707> |
What is the molecular formula for <BB_2707>? | The molecular formula for <BB_2707> (CC(CCNC(=O)OC(C)(C)C)C(=O)O) is C10H19NO4. | |
Describe the ring structures in building block <BB_2707>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2707>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2707>. | **Token:** <BB_2707>
**SMILES:** CC(CCNC(=O)OC(C)(C)C)C(=O)O
**Molecular Formula:** C10H19NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2708>. | CC(N)COc1ccc(C(=O)O)cc1.Cl | |
What is the building block token for the following molecule? | CC(N)COc1ccc(C(=O)O)cc1.Cl | <BB_2708> |
What is the molecular formula for <BB_2708>? | The molecular formula for <BB_2708> (CC(N)COc1ccc(C(=O)O)cc1.Cl) is C10H14ClNO3. | |
Describe the ring structures in building block <BB_2708>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2708>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2708>. | **Token:** <BB_2708>
**SMILES:** CC(N)COc1ccc(C(=O)O)cc1.Cl
**Molecular Formula:** C10H14ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2709>. | COC(=O)c1cc(F)c[nH]1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(F)c[nH]1 | <BB_2709> |
What is the molecular formula for <BB_2709>? | The molecular formula for <BB_2709> (COC(=O)c1cc(F)c[nH]1) is C6H6FNO2. | |
Describe the ring structures in building block <BB_2709>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2709>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2709>. | **Token:** <BB_2709>
**SMILES:** COC(=O)c1cc(F)c[nH]1
**Molecular Formula:** C6H6FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2710>. | CC(F)(F)c1nnc(N)o1 | |
What is the building block token for the following molecule? | CC(F)(F)c1nnc(N)o1 | <BB_2710> |
What is the molecular formula for <BB_2710>? | The molecular formula for <BB_2710> (CC(F)(F)c1nnc(N)o1) is C4H5F2N3O. | |
Describe the ring structures in building block <BB_2710>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2710>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2710>. | **Token:** <BB_2710>
**SMILES:** CC(F)(F)c1nnc(N)o1
**Molecular Formula:** C4H5F2N3O
**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_2711>. | O=C(O)Cc1cc(=O)oc2cc(O)ccc12 | |
What is the building block token for the following molecule? | O=C(O)Cc1cc(=O)oc2cc(O)ccc12 | <BB_2711> |
What is the molecular formula for <BB_2711>? | The molecular formula for <BB_2711> (O=C(O)Cc1cc(=O)oc2cc(O)ccc12) is C11H8O5. | |
Describe the ring structures in building block <BB_2711>. | 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_2711>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2711>. | **Token:** <BB_2711>
**SMILES:** O=C(O)Cc1cc(=O)oc2cc(O)ccc12
**Molecular Formula:** C11H8O5
**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_2712>. | CC(C(=O)O)C(C)C(C)(C)C | |
What is the building block token for the following molecule? | CC(C(=O)O)C(C)C(C)(C)C | <BB_2712> |
What is the molecular formula for <BB_2712>? | The molecular formula for <BB_2712> (CC(C(=O)O)C(C)C(C)(C)C) is C9H18O2. | |
Describe the ring structures in building block <BB_2712>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2712>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2712>. | **Token:** <BB_2712>
**SMILES:** CC(C(=O)O)C(C)C(C)(C)C
**Molecular Formula:** C9H18O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2713>. | C[C@H]1[C@H](O)CCN1C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C[C@H]1[C@H](O)CCN1C(=O)OC(C)(C)C | <BB_2713> |
What is the molecular formula for <BB_2713>? | The molecular formula for <BB_2713> (C[C@H]1[C@H](O)CCN1C(=O)OC(C)(C)C) is C10H19NO3. | |
Describe the ring structures in building block <BB_2713>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2713>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2713>. | **Token:** <BB_2713>
**SMILES:** C[C@H]1[C@H](O)CCN1C(=O)OC(C)(C)C
**Molecular Formula:** C10H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2714>. | C#CCCC(=O)C=C | |
What is the building block token for the following molecule? | C#CCCC(=O)C=C | <BB_2714> |
What is the molecular formula for <BB_2714>? | The molecular formula for <BB_2714> (C#CCCC(=O)C=C) is C7H8O. | |
Describe the ring structures in building block <BB_2714>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2714>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2714>. | **Token:** <BB_2714>
**SMILES:** C#CCCC(=O)C=C
**Molecular Formula:** C7H8O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2715>. | COc1cc(OC)c(F)c(CBr)c1F | |
What is the building block token for the following molecule? | COc1cc(OC)c(F)c(CBr)c1F | <BB_2715> |
What is the molecular formula for <BB_2715>? | The molecular formula for <BB_2715> (COc1cc(OC)c(F)c(CBr)c1F) is C9H9BrF2O2. | |
Describe the ring structures in building block <BB_2715>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2715>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2715>. | **Token:** <BB_2715>
**SMILES:** COc1cc(OC)c(F)c(CBr)c1F
**Molecular Formula:** C9H9BrF2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2716>. | [N-]=[N+]=Nc1ccccc1OC(F)(F)F | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1ccccc1OC(F)(F)F | <BB_2716> |
What is the molecular formula for <BB_2716>? | The molecular formula for <BB_2716> ([N-]=[N+]=Nc1ccccc1OC(F)(F)F) is C7H4F3N3O. | |
Describe the ring structures in building block <BB_2716>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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