instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2333>? | The molecular formula for <BB_2333> (Nc1nc2c(Br)cc(F)cc2s1) is C7H4BrFN2S. | |
Describe the ring structures in building block <BB_2333>. | 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_2333>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2333>. | **Token:** <BB_2333>
**SMILES:** Nc1nc2c(Br)cc(F)cc2s1
**Molecular Formula:** C7H4BrFN2S
**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_2334>. | O=C1OCC2C=CCCN12 | |
What is the building block token for the following molecule? | O=C1OCC2C=CCCN12 | <BB_2334> |
What is the molecular formula for <BB_2334>? | The molecular formula for <BB_2334> (O=C1OCC2C=CCCN12) is C7H9NO2. | |
Describe the ring structures in building block <BB_2334>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2334>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2334>. | **Token:** <BB_2334>
**SMILES:** O=C1OCC2C=CCCN12
**Molecular Formula:** C7H9NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2335>. | CC(C)(C)OC(=O)NC1(C#CC(=O)O)CCCC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1(C#CC(=O)O)CCCC1 | <BB_2335> |
What is the molecular formula for <BB_2335>? | The molecular formula for <BB_2335> (CC(C)(C)OC(=O)NC1(C#CC(=O)O)CCCC1) is C13H19NO4. | |
Describe the ring structures in building block <BB_2335>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2335>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2335>. | **Token:** <BB_2335>
**SMILES:** CC(C)(C)OC(=O)NC1(C#CC(=O)O)CCCC1
**Molecular Formula:** C13H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2336>. | Cn1c(S)nnc1-c1ccccc1 | |
What is the building block token for the following molecule? | Cn1c(S)nnc1-c1ccccc1 | <BB_2336> |
What is the molecular formula for <BB_2336>? | The molecular formula for <BB_2336> (Cn1c(S)nnc1-c1ccccc1) is C9H9N3S. | |
Describe the ring structures in building block <BB_2336>. | 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_2336>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_2336>. | **Token:** <BB_2336>
**SMILES:** Cn1c(S)nnc1-c1ccccc1
**Molecular Formula:** C9H9N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_2337>. | COC(=O)C1CN(c2cc(Cl)ncn2)C1 | |
What is the building block token for the following molecule? | COC(=O)C1CN(c2cc(Cl)ncn2)C1 | <BB_2337> |
What is the molecular formula for <BB_2337>? | The molecular formula for <BB_2337> (COC(=O)C1CN(c2cc(Cl)ncn2)C1) is C9H10ClN3O2. | |
Describe the ring structures in building block <BB_2337>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2337>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2337>. | **Token:** <BB_2337>
**SMILES:** COC(=O)C1CN(c2cc(Cl)ncn2)C1
**Molecular Formula:** C9H10ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2338>. | CC1(C)CC(O)CCN1.Cl | |
What is the building block token for the following molecule? | CC1(C)CC(O)CCN1.Cl | <BB_2338> |
What is the molecular formula for <BB_2338>? | The molecular formula for <BB_2338> (CC1(C)CC(O)CCN1.Cl) is C7H16ClNO. | |
Describe the ring structures in building block <BB_2338>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2338>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2338>. | **Token:** <BB_2338>
**SMILES:** CC1(C)CC(O)CCN1.Cl
**Molecular Formula:** C7H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2339>. | Oc1ncnc(Cl)c1Cl | |
What is the building block token for the following molecule? | Oc1ncnc(Cl)c1Cl | <BB_2339> |
What is the molecular formula for <BB_2339>? | The molecular formula for <BB_2339> (Oc1ncnc(Cl)c1Cl) is C4H2Cl2N2O. | |
Describe the ring structures in building block <BB_2339>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2339>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2339>. | **Token:** <BB_2339>
**SMILES:** Oc1ncnc(Cl)c1Cl
**Molecular Formula:** C4H2Cl2N2O
**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_2340>. | Cc1cc(NC(=O)CCl)n(C(C)(C)C)n1 | |
What is the building block token for the following molecule? | Cc1cc(NC(=O)CCl)n(C(C)(C)C)n1 | <BB_2340> |
What is the molecular formula for <BB_2340>? | The molecular formula for <BB_2340> (Cc1cc(NC(=O)CCl)n(C(C)(C)C)n1) is C10H16ClN3O. | |
Describe the ring structures in building block <BB_2340>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2340>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2340>. | **Token:** <BB_2340>
**SMILES:** Cc1cc(NC(=O)CCl)n(C(C)(C)C)n1
**Molecular Formula:** C10H16ClN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2341>. | CCOC(=O)C(Cl)c1ccc(Br)cc1F | |
What is the building block token for the following molecule? | CCOC(=O)C(Cl)c1ccc(Br)cc1F | <BB_2341> |
What is the molecular formula for <BB_2341>? | The molecular formula for <BB_2341> (CCOC(=O)C(Cl)c1ccc(Br)cc1F) is C10H9BrClFO2. | |
Describe the ring structures in building block <BB_2341>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2341>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2341>. | **Token:** <BB_2341>
**SMILES:** CCOC(=O)C(Cl)c1ccc(Br)cc1F
**Molecular Formula:** C10H9BrClFO2
**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_2342>. | CCNCC(=O)c1cccc(Cl)c1.Cl | |
What is the building block token for the following molecule? | CCNCC(=O)c1cccc(Cl)c1.Cl | <BB_2342> |
What is the molecular formula for <BB_2342>? | The molecular formula for <BB_2342> (CCNCC(=O)c1cccc(Cl)c1.Cl) is C10H13Cl2NO. | |
Describe the ring structures in building block <BB_2342>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2342>. | The molecule contains the following groups: Secondary Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2342>. | **Token:** <BB_2342>
**SMILES:** CCNCC(=O)c1cccc(Cl)c1.Cl
**Molecular Formula:** C10H13Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2343>. | Clc1ncnc2nc[nH]c12 | |
What is the building block token for the following molecule? | Clc1ncnc2nc[nH]c12 | <BB_2343> |
What is the molecular formula for <BB_2343>? | The molecular formula for <BB_2343> (Clc1ncnc2nc[nH]c12) is C5H3ClN4. | |
Describe the ring structures in building block <BB_2343>. | 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_2343>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2343>. | **Token:** <BB_2343>
**SMILES:** Clc1ncnc2nc[nH]c12
**Molecular Formula:** C5H3ClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2344>. | CC(C)Cc1ccc(CCC(=O)O)cc1 | |
What is the building block token for the following molecule? | CC(C)Cc1ccc(CCC(=O)O)cc1 | <BB_2344> |
What is the molecular formula for <BB_2344>? | The molecular formula for <BB_2344> (CC(C)Cc1ccc(CCC(=O)O)cc1) is C13H18O2. | |
Describe the ring structures in building block <BB_2344>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2344>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2344>. | **Token:** <BB_2344>
**SMILES:** CC(C)Cc1ccc(CCC(=O)O)cc1
**Molecular Formula:** C13H18O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2345>. | Nc1ccc(S(=O)(=O)CCN2CCOCC2)cc1 | |
What is the building block token for the following molecule? | Nc1ccc(S(=O)(=O)CCN2CCOCC2)cc1 | <BB_2345> |
What is the molecular formula for <BB_2345>? | The molecular formula for <BB_2345> (Nc1ccc(S(=O)(=O)CCN2CCOCC2)cc1) is C12H18N2O3S. | |
Describe the ring structures in building block <BB_2345>. | 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_2345>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2345>. | **Token:** <BB_2345>
**SMILES:** Nc1ccc(S(=O)(=O)CCN2CCOCC2)cc1
**Molecular Formula:** C12H18N2O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2346>. | O=Cc1cccn1-c1cc(C(F)(F)F)ccc1Cl | |
What is the building block token for the following molecule? | O=Cc1cccn1-c1cc(C(F)(F)F)ccc1Cl | <BB_2346> |
What is the molecular formula for <BB_2346>? | The molecular formula for <BB_2346> (O=Cc1cccn1-c1cc(C(F)(F)F)ccc1Cl) is C12H7ClF3NO. | |
Describe the ring structures in building block <BB_2346>. | 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_2346>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2346>. | **Token:** <BB_2346>
**SMILES:** O=Cc1cccn1-c1cc(C(F)(F)F)ccc1Cl
**Molecular Formula:** C12H7ClF3NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2347>. | FC(F)(F)Oc1ncccc1CBr | |
What is the building block token for the following molecule? | FC(F)(F)Oc1ncccc1CBr | <BB_2347> |
What is the molecular formula for <BB_2347>? | The molecular formula for <BB_2347> (FC(F)(F)Oc1ncccc1CBr) is C7H5BrF3NO. | |
Describe the ring structures in building block <BB_2347>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2347>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2347>. | **Token:** <BB_2347>
**SMILES:** FC(F)(F)Oc1ncccc1CBr
**Molecular Formula:** C7H5BrF3NO
**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_2348>. | N#Cc1occc1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | N#Cc1occc1S(=O)(=O)Cl | <BB_2348> |
What is the molecular formula for <BB_2348>? | The molecular formula for <BB_2348> (N#Cc1occc1S(=O)(=O)Cl) is C5H2ClNO3S. | |
Describe the ring structures in building block <BB_2348>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2348>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2348>. | **Token:** <BB_2348>
**SMILES:** N#Cc1occc1S(=O)(=O)Cl
**Molecular Formula:** C5H2ClNO3S
**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_2349>. | Cc1cccc(O)c1C(F)(F)F | |
What is the building block token for the following molecule? | Cc1cccc(O)c1C(F)(F)F | <BB_2349> |
What is the molecular formula for <BB_2349>? | The molecular formula for <BB_2349> (Cc1cccc(O)c1C(F)(F)F) is C8H7F3O. | |
Describe the ring structures in building block <BB_2349>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2349>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2349>. | **Token:** <BB_2349>
**SMILES:** Cc1cccc(O)c1C(F)(F)F
**Molecular Formula:** C8H7F3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.