instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_333>? | The molecular formula for <BB_333> (C=CC1(CO)CCC1) is C7H12O. | |
Describe the ring structures in building block <BB_333>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_333>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_333>. | **Token:** <BB_333>
**SMILES:** C=CC1(CO)CCC1
**Molecular Formula:** C7H12O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_334>. | [N-]=[N+]=NCC(F)(F)c1ccccc1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCC(F)(F)c1ccccc1 | <BB_334> |
What is the molecular formula for <BB_334>? | The molecular formula for <BB_334> ([N-]=[N+]=NCC(F)(F)c1ccccc1) is C8H7F2N3. | |
Describe the ring structures in building block <BB_334>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_334>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_334>. | **Token:** <BB_334>
**SMILES:** [N-]=[N+]=NCC(F)(F)c1ccccc1
**Molecular Formula:** C8H7F2N3
**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_335>. | Cl.Fc1ccc(C2CNC2)c(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | Cl.Fc1ccc(C2CNC2)c(C(F)(F)F)c1 | <BB_335> |
What is the molecular formula for <BB_335>? | The molecular formula for <BB_335> (Cl.Fc1ccc(C2CNC2)c(C(F)(F)F)c1) is C10H10ClF4N. | |
Describe the ring structures in building block <BB_335>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_335>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_335>. | **Token:** <BB_335>
**SMILES:** Cl.Fc1ccc(C2CNC2)c(C(F)(F)F)c1
**Molecular Formula:** C10H10ClF4N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_336>. | CC(C)(C)OC(=O)NC1CC(C=O)C12CCC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CC(C=O)C12CCC2 | <BB_336> |
What is the molecular formula for <BB_336>? | The molecular formula for <BB_336> (CC(C)(C)OC(=O)NC1CC(C=O)C12CCC2) is C13H21NO3. | |
Describe the ring structures in building block <BB_336>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_336>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_336>. | **Token:** <BB_336>
**SMILES:** CC(C)(C)OC(=O)NC1CC(C=O)C12CCC2
**Molecular Formula:** C13H21NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_337>. | Cc1cc(Br)cc(C)c1CC#N | |
What is the building block token for the following molecule? | Cc1cc(Br)cc(C)c1CC#N | <BB_337> |
What is the molecular formula for <BB_337>? | The molecular formula for <BB_337> (Cc1cc(Br)cc(C)c1CC#N) is C10H10BrN. | |
Describe the ring structures in building block <BB_337>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_337>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_337>. | **Token:** <BB_337>
**SMILES:** Cc1cc(Br)cc(C)c1CC#N
**Molecular Formula:** C10H10BrN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_338>. | CC1(C)OB(c2cc(O)cc(F)c2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cc(O)cc(F)c2)OC1(C)C | <BB_338> |
What is the molecular formula for <BB_338>? | The molecular formula for <BB_338> (CC1(C)OB(c2cc(O)cc(F)c2)OC1(C)C) is C12H16BFO3. | |
Describe the ring structures in building block <BB_338>. | 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_338>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_338>. | **Token:** <BB_338>
**SMILES:** CC1(C)OB(c2cc(O)cc(F)c2)OC1(C)C
**Molecular Formula:** C12H16BFO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_339>. | OCc1ncc(C2CCOCC2)[nH]1 | |
What is the building block token for the following molecule? | OCc1ncc(C2CCOCC2)[nH]1 | <BB_339> |
What is the molecular formula for <BB_339>? | The molecular formula for <BB_339> (OCc1ncc(C2CCOCC2)[nH]1) is C9H14N2O2. | |
Describe the ring structures in building block <BB_339>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_339>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_339>. | **Token:** <BB_339>
**SMILES:** OCc1ncc(C2CCOCC2)[nH]1
**Molecular Formula:** C9H14N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_340>. | CC(C)CC1CC(N)CCO1 | |
What is the building block token for the following molecule? | CC(C)CC1CC(N)CCO1 | <BB_340> |
What is the molecular formula for <BB_340>? | The molecular formula for <BB_340> (CC(C)CC1CC(N)CCO1) is C9H19NO. | |
Describe the ring structures in building block <BB_340>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_340>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_340>. | **Token:** <BB_340>
**SMILES:** CC(C)CC1CC(N)CCO1
**Molecular Formula:** C9H19NO
**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_341>. | CSCCCCCO | |
What is the building block token for the following molecule? | CSCCCCCO | <BB_341> |
What is the molecular formula for <BB_341>? | The molecular formula for <BB_341> (CSCCCCCO) is C6H14OS. | |
Describe the ring structures in building block <BB_341>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_341>. | The molecule contains the following groups: Alcohol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_341>. | **Token:** <BB_341>
**SMILES:** CSCCCCCO
**Molecular Formula:** C6H14OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Sulfide | |
Provide the SMILES representation for the building block token <BB_342>. | FC(F)(Cl)c1cnc(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | FC(F)(Cl)c1cnc(Cl)c(Cl)c1 | <BB_342> |
What is the molecular formula for <BB_342>? | The molecular formula for <BB_342> (FC(F)(Cl)c1cnc(Cl)c(Cl)c1) is C6H2Cl3F2N. | |
Describe the ring structures in building block <BB_342>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_342>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_342>. | **Token:** <BB_342>
**SMILES:** FC(F)(Cl)c1cnc(Cl)c(Cl)c1
**Molecular Formula:** C6H2Cl3F2N
**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_343>. | Cc1ccccc1C(N)C(C)C | |
What is the building block token for the following molecule? | Cc1ccccc1C(N)C(C)C | <BB_343> |
What is the molecular formula for <BB_343>? | The molecular formula for <BB_343> (Cc1ccccc1C(N)C(C)C) is C11H17N. | |
Describe the ring structures in building block <BB_343>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_343>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_343>. | **Token:** <BB_343>
**SMILES:** Cc1ccccc1C(N)C(C)C
**Molecular Formula:** C11H17N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_344>. | O=C(Cc1ccc(F)cc1)c1ccccc1F | |
What is the building block token for the following molecule? | O=C(Cc1ccc(F)cc1)c1ccccc1F | <BB_344> |
What is the molecular formula for <BB_344>? | The molecular formula for <BB_344> (O=C(Cc1ccc(F)cc1)c1ccccc1F) is C14H10F2O. | |
Describe the ring structures in building block <BB_344>. | 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_344>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_344>. | **Token:** <BB_344>
**SMILES:** O=C(Cc1ccc(F)cc1)c1ccccc1F
**Molecular Formula:** C14H10F2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_345>. | CCOC(=O)[C@]1(F)CNC[C@H]1CC | |
What is the building block token for the following molecule? | CCOC(=O)[C@]1(F)CNC[C@H]1CC | <BB_345> |
What is the molecular formula for <BB_345>? | The molecular formula for <BB_345> (CCOC(=O)[C@]1(F)CNC[C@H]1CC) is C9H16FNO2. | |
Describe the ring structures in building block <BB_345>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_345>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_345>. | **Token:** <BB_345>
**SMILES:** CCOC(=O)[C@]1(F)CNC[C@H]1CC
**Molecular Formula:** C9H16FNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_346>. | CC(C)Oc1ccc(C(N)CC(=O)O)cc1 | |
What is the building block token for the following molecule? | CC(C)Oc1ccc(C(N)CC(=O)O)cc1 | <BB_346> |
What is the molecular formula for <BB_346>? | The molecular formula for <BB_346> (CC(C)Oc1ccc(C(N)CC(=O)O)cc1) is C12H17NO3. | |
Describe the ring structures in building block <BB_346>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_346>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_346>. | **Token:** <BB_346>
**SMILES:** CC(C)Oc1ccc(C(N)CC(=O)O)cc1
**Molecular Formula:** C12H17NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ether | |
Provide the SMILES representation for the building block token <BB_347>. | Nc1ccn(Cc2cccc(Cl)c2)n1 | |
What is the building block token for the following molecule? | Nc1ccn(Cc2cccc(Cl)c2)n1 | <BB_347> |
What is the molecular formula for <BB_347>? | The molecular formula for <BB_347> (Nc1ccn(Cc2cccc(Cl)c2)n1) is C10H10ClN3. | |
Describe the ring structures in building block <BB_347>. | 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_347>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_347>. | **Token:** <BB_347>
**SMILES:** Nc1ccn(Cc2cccc(Cl)c2)n1
**Molecular Formula:** C10H10ClN3
**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_348>. | CC(C)C(=O)N1CC(F)(CN)C1.Cl | |
What is the building block token for the following molecule? | CC(C)C(=O)N1CC(F)(CN)C1.Cl | <BB_348> |
What is the molecular formula for <BB_348>? | The molecular formula for <BB_348> (CC(C)C(=O)N1CC(F)(CN)C1.Cl) is C8H16ClFN2O. | |
Describe the ring structures in building block <BB_348>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_348>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_348>. | **Token:** <BB_348>
**SMILES:** CC(C)C(=O)N1CC(F)(CN)C1.Cl
**Molecular Formula:** C8H16ClFN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_349>. | Cn1c(=O)oc2cc(Cl)c(N)cc21 | |
What is the building block token for the following molecule? | Cn1c(=O)oc2cc(Cl)c(N)cc21 | <BB_349> |
What is the molecular formula for <BB_349>? | The molecular formula for <BB_349> (Cn1c(=O)oc2cc(Cl)c(N)cc21) is C8H7ClN2O2. | |
Describe the ring structures in building block <BB_349>. | 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_349>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_349>. | **Token:** <BB_349>
**SMILES:** Cn1c(=O)oc2cc(Cl)c(N)cc21
**Molecular Formula:** C8H7ClN2O2
**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) |
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