instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_450>. | Cc1nc2ccccc2n1C(F)F | |
What is the building block token for the following molecule? | Cc1nc2ccccc2n1C(F)F | <BB_450> |
What is the molecular formula for <BB_450>? | The molecular formula for <BB_450> (Cc1nc2ccccc2n1C(F)F) is C9H8F2N2. | |
Describe the ring structures in building block <BB_450>. | 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_450>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_450>. | **Token:** <BB_450>
**SMILES:** Cc1nc2ccccc2n1C(F)F
**Molecular Formula:** C9H8F2N2
**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_451>. | O=C(NC1CCCC1C(=O)O)c1nnn[nH]1 | |
What is the building block token for the following molecule? | O=C(NC1CCCC1C(=O)O)c1nnn[nH]1 | <BB_451> |
What is the molecular formula for <BB_451>? | The molecular formula for <BB_451> (O=C(NC1CCCC1C(=O)O)c1nnn[nH]1) is C8H11N5O3. | |
Describe the ring structures in building block <BB_451>. | 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_451>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_451>. | **Token:** <BB_451>
**SMILES:** O=C(NC1CCCC1C(=O)O)c1nnn[nH]1
**Molecular Formula:** C8H11N5O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_452>. | C#CCN1CCOC[C@H]1C | |
What is the building block token for the following molecule? | C#CCN1CCOC[C@H]1C | <BB_452> |
What is the molecular formula for <BB_452>? | The molecular formula for <BB_452> (C#CCN1CCOC[C@H]1C) is C8H13NO. | |
Describe the ring structures in building block <BB_452>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_452>. | The molecule contains the following groups: Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_452>. | **Token:** <BB_452>
**SMILES:** C#CCN1CCOC[C@H]1C
**Molecular Formula:** C8H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_453>. | O[C@@H]1COC[C@H]1c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | O[C@@H]1COC[C@H]1c1ccc(Br)cc1 | <BB_453> |
What is the molecular formula for <BB_453>? | The molecular formula for <BB_453> (O[C@@H]1COC[C@H]1c1ccc(Br)cc1) is C10H11BrO2. | |
Describe the ring structures in building block <BB_453>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_453>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_453>. | **Token:** <BB_453>
**SMILES:** O[C@@H]1COC[C@H]1c1ccc(Br)cc1
**Molecular Formula:** C10H11BrO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_454>. | CC(Cl)CCC#N | |
What is the building block token for the following molecule? | CC(Cl)CCC#N | <BB_454> |
What is the molecular formula for <BB_454>? | The molecular formula for <BB_454> (CC(Cl)CCC#N) is C5H8ClN. | |
Describe the ring structures in building block <BB_454>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_454>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_454>. | **Token:** <BB_454>
**SMILES:** CC(Cl)CCC#N
**Molecular Formula:** C5H8ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_455>. | O=C1CCC(=O)c2ccccc2N1 | |
What is the building block token for the following molecule? | O=C1CCC(=O)c2ccccc2N1 | <BB_455> |
What is the molecular formula for <BB_455>? | The molecular formula for <BB_455> (O=C1CCC(=O)c2ccccc2N1) is C10H9NO2. | |
Describe the ring structures in building block <BB_455>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_455>. | The molecule contains the following groups: Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_455>. | **Token:** <BB_455>
**SMILES:** O=C1CCC(=O)c2ccccc2N1
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_456>. | COc1ccc(Cl)cc1CCl | |
What is the building block token for the following molecule? | COc1ccc(Cl)cc1CCl | <BB_456> |
What is the molecular formula for <BB_456>? | The molecular formula for <BB_456> (COc1ccc(Cl)cc1CCl) is C8H8Cl2O. | |
Describe the ring structures in building block <BB_456>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_456>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_456>. | **Token:** <BB_456>
**SMILES:** COc1ccc(Cl)cc1CCl
**Molecular Formula:** C8H8Cl2O
**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_457>. | CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O | |
What is the building block token for the following molecule? | CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O | <BB_457> |
What is the molecular formula for <BB_457>? | The molecular formula for <BB_457> (CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O) is C14H19NO4. | |
Describe the ring structures in building block <BB_457>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_457>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_457>. | **Token:** <BB_457>
**SMILES:** CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O
**Molecular Formula:** C14H19NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_458>. | C[C@@H](N)c1cncs1.Cl.Cl | |
What is the building block token for the following molecule? | C[C@@H](N)c1cncs1.Cl.Cl | <BB_458> |
What is the molecular formula for <BB_458>? | The molecular formula for <BB_458> (C[C@@H](N)c1cncs1.Cl.Cl) is C5H10Cl2N2S. | |
Describe the ring structures in building block <BB_458>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_458>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_458>. | **Token:** <BB_458>
**SMILES:** C[C@@H](N)c1cncs1.Cl.Cl
**Molecular Formula:** C5H10Cl2N2S
**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_459>. | Cc1ccc(NCC(F)F)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(NCC(F)F)cc1 | <BB_459> |
What is the molecular formula for <BB_459>? | The molecular formula for <BB_459> (Cc1ccc(NCC(F)F)cc1) is C9H11F2N. | |
Describe the ring structures in building block <BB_459>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_459>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_459>. | **Token:** <BB_459>
**SMILES:** Cc1ccc(NCC(F)F)cc1
**Molecular Formula:** C9H11F2N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_460>. | COc1ccccc1-c1noc(CCl)n1 | |
What is the building block token for the following molecule? | COc1ccccc1-c1noc(CCl)n1 | <BB_460> |
What is the molecular formula for <BB_460>? | The molecular formula for <BB_460> (COc1ccccc1-c1noc(CCl)n1) is C10H9ClN2O2. | |
Describe the ring structures in building block <BB_460>. | 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_460>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_460>. | **Token:** <BB_460>
**SMILES:** COc1ccccc1-c1noc(CCl)n1
**Molecular Formula:** C10H9ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_461>. | Cl.N[C@H](CCc1ccccc1)CC(=O)O | |
What is the building block token for the following molecule? | Cl.N[C@H](CCc1ccccc1)CC(=O)O | <BB_461> |
What is the molecular formula for <BB_461>? | The molecular formula for <BB_461> (Cl.N[C@H](CCc1ccccc1)CC(=O)O) is C11H16ClNO2. | |
Describe the ring structures in building block <BB_461>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_461>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_461>. | **Token:** <BB_461>
**SMILES:** Cl.N[C@H](CCc1ccccc1)CC(=O)O
**Molecular Formula:** C11H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_462>. | NNC(=O)c1cnc[nH]1 | |
What is the building block token for the following molecule? | NNC(=O)c1cnc[nH]1 | <BB_462> |
What is the molecular formula for <BB_462>? | The molecular formula for <BB_462> (NNC(=O)c1cnc[nH]1) is C4H6N4O. | |
Describe the ring structures in building block <BB_462>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_462>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_462>. | **Token:** <BB_462>
**SMILES:** NNC(=O)c1cnc[nH]1
**Molecular Formula:** C4H6N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_463>. | Cl.N[C@H]1C[C@H](c2ccon2)C1 | |
What is the building block token for the following molecule? | Cl.N[C@H]1C[C@H](c2ccon2)C1 | <BB_463> |
What is the molecular formula for <BB_463>? | The molecular formula for <BB_463> (Cl.N[C@H]1C[C@H](c2ccon2)C1) is C7H11ClN2O. | |
Describe the ring structures in building block <BB_463>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_463>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_463>. | **Token:** <BB_463>
**SMILES:** Cl.N[C@H]1C[C@H](c2ccon2)C1
**Molecular Formula:** C7H11ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_464>. | C=Cc1ccc(C(=O)OC)nc1 | |
What is the building block token for the following molecule? | C=Cc1ccc(C(=O)OC)nc1 | <BB_464> |
What is the molecular formula for <BB_464>? | The molecular formula for <BB_464> (C=Cc1ccc(C(=O)OC)nc1) is C9H9NO2. | |
Describe the ring structures in building block <BB_464>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_464>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_464>. | **Token:** <BB_464>
**SMILES:** C=Cc1ccc(C(=O)OC)nc1
**Molecular Formula:** C9H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_465>. | COC(=O)C(CO)c1ccccc1 | |
What is the building block token for the following molecule? | COC(=O)C(CO)c1ccccc1 | <BB_465> |
What is the molecular formula for <BB_465>? | The molecular formula for <BB_465> (COC(=O)C(CO)c1ccccc1) is C10H12O3. | |
Describe the ring structures in building block <BB_465>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_465>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_465>. | **Token:** <BB_465>
**SMILES:** COC(=O)C(CO)c1ccccc1
**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_466>. | Cn1ncc(C#N)c1F | |
What is the building block token for the following molecule? | Cn1ncc(C#N)c1F | <BB_466> |
What is the molecular formula for <BB_466>? | The molecular formula for <BB_466> (Cn1ncc(C#N)c1F) is C5H4FN3. | |
Describe the ring structures in building block <BB_466>. | The molecule contains 1 ring(s): an aromatic ring of size 5. |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.