instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9800>. | O=C(O)C(OCC(F)(F)F)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(O)C(OCC(F)(F)F)c1ccccc1 | <BB_9800> |
What is the molecular formula for <BB_9800>? | The molecular formula for <BB_9800> (O=C(O)C(OCC(F)(F)F)c1ccccc1) is C10H9F3O3. | |
Describe the ring structures in building block <BB_9800>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9800>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9800>. | **Token:** <BB_9800>
**SMILES:** O=C(O)C(OCC(F)(F)F)c1ccccc1
**Molecular Formula:** C10H9F3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9801>. | O=C(O)c1ccc(Cl)c2[nH]cnc12 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(Cl)c2[nH]cnc12 | <BB_9801> |
What is the molecular formula for <BB_9801>? | The molecular formula for <BB_9801> (O=C(O)c1ccc(Cl)c2[nH]cnc12) is C8H5ClN2O2. | |
Describe the ring structures in building block <BB_9801>. | 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_9801>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9801>. | **Token:** <BB_9801>
**SMILES:** O=C(O)c1ccc(Cl)c2[nH]cnc12
**Molecular Formula:** C8H5ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9802>. | Cl.O=C(NCc1nc(CCl)cs1)c1ccccc1 | |
What is the building block token for the following molecule? | Cl.O=C(NCc1nc(CCl)cs1)c1ccccc1 | <BB_9802> |
What is the molecular formula for <BB_9802>? | The molecular formula for <BB_9802> (Cl.O=C(NCc1nc(CCl)cs1)c1ccccc1) is C12H12Cl2N2OS. | |
Describe the ring structures in building block <BB_9802>. | 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_9802>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9802>. | **Token:** <BB_9802>
**SMILES:** Cl.O=C(NCc1nc(CCl)cs1)c1ccccc1
**Molecular Formula:** C12H12Cl2N2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9803>. | CNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 | |
What is the building block token for the following molecule? | CNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 | <BB_9803> |
What is the molecular formula for <BB_9803>? | The molecular formula for <BB_9803> (CNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1) is C11H19FN4. | |
Describe the ring structures in building block <BB_9803>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9803>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9803>. | **Token:** <BB_9803>
**SMILES:** CNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
**Molecular Formula:** C11H19FN4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9804>. | Sc1nnc(SCc2ccccc2)s1 | |
What is the building block token for the following molecule? | Sc1nnc(SCc2ccccc2)s1 | <BB_9804> |
What is the molecular formula for <BB_9804>? | The molecular formula for <BB_9804> (Sc1nnc(SCc2ccccc2)s1) is C9H8N2S3. | |
Describe the ring structures in building block <BB_9804>. | 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_9804>. | The molecule contains the following groups: Thiol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9804>. | **Token:** <BB_9804>
**SMILES:** Sc1nnc(SCc2ccccc2)s1
**Molecular Formula:** C9H8N2S3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol, Sulfide | |
Provide the SMILES representation for the building block token <BB_9805>. | O=C(O)c1c(C2CC2)nn2ccccc12 | |
What is the building block token for the following molecule? | O=C(O)c1c(C2CC2)nn2ccccc12 | <BB_9805> |
What is the molecular formula for <BB_9805>? | The molecular formula for <BB_9805> (O=C(O)c1c(C2CC2)nn2ccccc12) is C11H10N2O2. | |
Describe the ring structures in building block <BB_9805>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9805>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9805>. | **Token:** <BB_9805>
**SMILES:** O=C(O)c1c(C2CC2)nn2ccccc12
**Molecular Formula:** C11H10N2O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9806>. | C[C@@H](CCN)OC1CCCCO1 | |
What is the building block token for the following molecule? | C[C@@H](CCN)OC1CCCCO1 | <BB_9806> |
What is the molecular formula for <BB_9806>? | The molecular formula for <BB_9806> (C[C@@H](CCN)OC1CCCCO1) is C9H19NO2. | |
Describe the ring structures in building block <BB_9806>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9806>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9806>. | **Token:** <BB_9806>
**SMILES:** C[C@@H](CCN)OC1CCCCO1
**Molecular Formula:** C9H19NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9807>. | COC(=O)c1c(F)ccc(CBr)c1F | |
What is the building block token for the following molecule? | COC(=O)c1c(F)ccc(CBr)c1F | <BB_9807> |
What is the molecular formula for <BB_9807>? | The molecular formula for <BB_9807> (COC(=O)c1c(F)ccc(CBr)c1F) is C9H7BrF2O2. | |
Describe the ring structures in building block <BB_9807>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9807>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9807>. | **Token:** <BB_9807>
**SMILES:** COC(=O)c1c(F)ccc(CBr)c1F
**Molecular Formula:** C9H7BrF2O2
**Ring System:** The molecule contains 1 ring(s): 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_9808>. | CC(C)(C)OC(=O)N(N)C1CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N(N)C1CC1 | <BB_9808> |
What is the molecular formula for <BB_9808>? | The molecular formula for <BB_9808> (CC(C)(C)OC(=O)N(N)C1CC1) is C8H16N2O2. | |
Describe the ring structures in building block <BB_9808>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9808>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9808>. | **Token:** <BB_9808>
**SMILES:** CC(C)(C)OC(=O)N(N)C1CC1
**Molecular Formula:** C8H16N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9809>. | NCC1(c2ccc(F)cc2)CCCCC1 | |
What is the building block token for the following molecule? | NCC1(c2ccc(F)cc2)CCCCC1 | <BB_9809> |
What is the molecular formula for <BB_9809>? | The molecular formula for <BB_9809> (NCC1(c2ccc(F)cc2)CCCCC1) is C13H18FN. | |
Describe the ring structures in building block <BB_9809>. | 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_9809>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9809>. | **Token:** <BB_9809>
**SMILES:** NCC1(c2ccc(F)cc2)CCCCC1
**Molecular Formula:** C13H18FN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9810>. | OC1CCn2nccc2C1 | |
What is the building block token for the following molecule? | OC1CCn2nccc2C1 | <BB_9810> |
What is the molecular formula for <BB_9810>? | The molecular formula for <BB_9810> (OC1CCn2nccc2C1) is C7H10N2O. | |
Describe the ring structures in building block <BB_9810>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9810>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9810>. | **Token:** <BB_9810>
**SMILES:** OC1CCn2nccc2C1
**Molecular Formula:** C7H10N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9811>. | CCOCn1cc(N)cn1 | |
What is the building block token for the following molecule? | CCOCn1cc(N)cn1 | <BB_9811> |
What is the molecular formula for <BB_9811>? | The molecular formula for <BB_9811> (CCOCn1cc(N)cn1) is C6H11N3O. | |
Describe the ring structures in building block <BB_9811>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9811>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9811>. | **Token:** <BB_9811>
**SMILES:** CCOCn1cc(N)cn1
**Molecular Formula:** C6H11N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9812>. | C#CCSCCO | |
What is the building block token for the following molecule? | C#CCSCCO | <BB_9812> |
What is the molecular formula for <BB_9812>? | The molecular formula for <BB_9812> (C#CCSCCO) is C5H8OS. | |
Describe the ring structures in building block <BB_9812>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9812>. | The molecule contains the following groups: Alcohol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9812>. | **Token:** <BB_9812>
**SMILES:** C#CCSCCO
**Molecular Formula:** C5H8OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Sulfide | |
Provide the SMILES representation for the building block token <BB_9813>. | CC(C)NCCC(=O)O.Cl | |
What is the building block token for the following molecule? | CC(C)NCCC(=O)O.Cl | <BB_9813> |
What is the molecular formula for <BB_9813>? | The molecular formula for <BB_9813> (CC(C)NCCC(=O)O.Cl) is C6H14ClNO2. | |
Describe the ring structures in building block <BB_9813>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9813>. | 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_9813>. | **Token:** <BB_9813>
**SMILES:** CC(C)NCCC(=O)O.Cl
**Molecular Formula:** C6H14ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9814>. | CN(c1nc2ccccc2[nH]c1=O)C1CCCCC1 | |
What is the building block token for the following molecule? | CN(c1nc2ccccc2[nH]c1=O)C1CCCCC1 | <BB_9814> |
What is the molecular formula for <BB_9814>? | The molecular formula for <BB_9814> (CN(c1nc2ccccc2[nH]c1=O)C1CCCCC1) is C15H19N3O. | |
Describe the ring structures in building block <BB_9814>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9814>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9814>. | **Token:** <BB_9814>
**SMILES:** CN(c1nc2ccccc2[nH]c1=O)C1CCCCC1
**Molecular Formula:** C15H19N3O
**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 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9815>. | COc1ncc(C(=O)[O-])c(N)n1.[Li+] | |
What is the building block token for the following molecule? | COc1ncc(C(=O)[O-])c(N)n1.[Li+] | <BB_9815> |
What is the molecular formula for <BB_9815>? | The molecular formula for <BB_9815> (COc1ncc(C(=O)[O-])c(N)n1.[Li+]) is C6H6LiN3O3. | |
Describe the ring structures in building block <BB_9815>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9815>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9815>. | **Token:** <BB_9815>
**SMILES:** COc1ncc(C(=O)[O-])c(N)n1.[Li+]
**Molecular Formula:** C6H6LiN3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9816>. | OC1CCc2[nH]ncc21 | |
What is the building block token for the following molecule? | OC1CCc2[nH]ncc21 | <BB_9816> |
What is the molecular formula for <BB_9816>? | The molecular formula for <BB_9816> (OC1CCc2[nH]ncc21) is C6H8N2O. | |
Describe the ring structures in building block <BB_9816>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. |
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