instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9450>. | C[C@@H](ON)c1ccncc1 | |
What is the building block token for the following molecule? | C[C@@H](ON)c1ccncc1 | <BB_9450> |
What is the molecular formula for <BB_9450>? | The molecular formula for <BB_9450> (C[C@@H](ON)c1ccncc1) is C7H10N2O. | |
Describe the ring structures in building block <BB_9450>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9450>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9450>. | **Token:** <BB_9450>
**SMILES:** C[C@@H](ON)c1ccncc1
**Molecular Formula:** C7H10N2O
**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_9451>. | OCCc1ccsn1 | |
What is the building block token for the following molecule? | OCCc1ccsn1 | <BB_9451> |
What is the molecular formula for <BB_9451>? | The molecular formula for <BB_9451> (OCCc1ccsn1) is C5H7NOS. | |
Describe the ring structures in building block <BB_9451>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9451>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9451>. | **Token:** <BB_9451>
**SMILES:** OCCc1ccsn1
**Molecular Formula:** C5H7NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9452>. | CC1(N)CCC(CC(=O)OC(C)(C)C)CC1.Cl | |
What is the building block token for the following molecule? | CC1(N)CCC(CC(=O)OC(C)(C)C)CC1.Cl | <BB_9452> |
What is the molecular formula for <BB_9452>? | The molecular formula for <BB_9452> (CC1(N)CCC(CC(=O)OC(C)(C)C)CC1.Cl) is C13H26ClNO2. | |
Describe the ring structures in building block <BB_9452>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9452>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9452>. | **Token:** <BB_9452>
**SMILES:** CC1(N)CCC(CC(=O)OC(C)(C)C)CC1.Cl
**Molecular Formula:** C13H26ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9453>. | O=C(O)[C@H]1C[C@@H](O)[C@@H](O)C1 | |
What is the building block token for the following molecule? | O=C(O)[C@H]1C[C@@H](O)[C@@H](O)C1 | <BB_9453> |
What is the molecular formula for <BB_9453>? | The molecular formula for <BB_9453> (O=C(O)[C@H]1C[C@@H](O)[C@@H](O)C1) is C6H10O4. | |
Describe the ring structures in building block <BB_9453>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9453>. | The molecule contains the following groups: Carboxylic Acid, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9453>. | **Token:** <BB_9453>
**SMILES:** O=C(O)[C@H]1C[C@@H](O)[C@@H](O)C1
**Molecular Formula:** C6H10O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Alcohol | |
Provide the SMILES representation for the building block token <BB_9454>. | CNS(=O)(=O)CCCCl | |
What is the building block token for the following molecule? | CNS(=O)(=O)CCCCl | <BB_9454> |
What is the molecular formula for <BB_9454>? | The molecular formula for <BB_9454> (CNS(=O)(=O)CCCCl) is C4H10ClNO2S. | |
Describe the ring structures in building block <BB_9454>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9454>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9454>. | **Token:** <BB_9454>
**SMILES:** CNS(=O)(=O)CCCCl
**Molecular Formula:** C4H10ClNO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9455>. | CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O | |
What is the building block token for the following molecule? | CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O | <BB_9455> |
What is the molecular formula for <BB_9455>? | The molecular formula for <BB_9455> (CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O) is C14H21BrO. | |
Describe the ring structures in building block <BB_9455>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9455>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9455>. | **Token:** <BB_9455>
**SMILES:** CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O
**Molecular Formula:** C14H21BrO
**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_9456>. | O=C1NCCc2c(F)cccc21 | |
What is the building block token for the following molecule? | O=C1NCCc2c(F)cccc21 | <BB_9456> |
What is the molecular formula for <BB_9456>? | The molecular formula for <BB_9456> (O=C1NCCc2c(F)cccc21) is C9H8FNO. | |
Describe the ring structures in building block <BB_9456>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9456>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9456>. | **Token:** <BB_9456>
**SMILES:** O=C1NCCc2c(F)cccc21
**Molecular Formula:** C9H8FNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9457>. | COCCN(Cc1ccccc1)C(=O)CCl | |
What is the building block token for the following molecule? | COCCN(Cc1ccccc1)C(=O)CCl | <BB_9457> |
What is the molecular formula for <BB_9457>? | The molecular formula for <BB_9457> (COCCN(Cc1ccccc1)C(=O)CCl) is C12H16ClNO2. | |
Describe the ring structures in building block <BB_9457>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9457>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9457>. | **Token:** <BB_9457>
**SMILES:** COCCN(Cc1ccccc1)C(=O)CCl
**Molecular Formula:** C12H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9458>. | COc1cc(OC)c(Cl)cc1N | |
What is the building block token for the following molecule? | COc1cc(OC)c(Cl)cc1N | <BB_9458> |
What is the molecular formula for <BB_9458>? | The molecular formula for <BB_9458> (COc1cc(OC)c(Cl)cc1N) is C8H10ClNO2. | |
Describe the ring structures in building block <BB_9458>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9458>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9458>. | **Token:** <BB_9458>
**SMILES:** COc1cc(OC)c(Cl)cc1N
**Molecular Formula:** C8H10ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9459>. | Cc1cc(F)ccc1C(F)(F)C(=O)O | |
What is the building block token for the following molecule? | Cc1cc(F)ccc1C(F)(F)C(=O)O | <BB_9459> |
What is the molecular formula for <BB_9459>? | The molecular formula for <BB_9459> (Cc1cc(F)ccc1C(F)(F)C(=O)O) is C9H7F3O2. | |
Describe the ring structures in building block <BB_9459>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9459>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9459>. | **Token:** <BB_9459>
**SMILES:** Cc1cc(F)ccc1C(F)(F)C(=O)O
**Molecular Formula:** C9H7F3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9460>. | CN1Cc2cc(Br)ccc2C1=O | |
What is the building block token for the following molecule? | CN1Cc2cc(Br)ccc2C1=O | <BB_9460> |
What is the molecular formula for <BB_9460>? | The molecular formula for <BB_9460> (CN1Cc2cc(Br)ccc2C1=O) is C9H8BrNO. | |
Describe the ring structures in building block <BB_9460>. | 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_9460>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9460>. | **Token:** <BB_9460>
**SMILES:** CN1Cc2cc(Br)ccc2C1=O
**Molecular Formula:** C9H8BrNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_9461>. | CC(O)c1cccnc1 | |
What is the building block token for the following molecule? | CC(O)c1cccnc1 | <BB_9461> |
What is the molecular formula for <BB_9461>? | The molecular formula for <BB_9461> (CC(O)c1cccnc1) is C7H9NO. | |
Describe the ring structures in building block <BB_9461>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9461>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9461>. | **Token:** <BB_9461>
**SMILES:** CC(O)c1cccnc1
**Molecular Formula:** C7H9NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9462>. | CC(C)(C)c1ccccc1O | |
What is the building block token for the following molecule? | CC(C)(C)c1ccccc1O | <BB_9462> |
What is the molecular formula for <BB_9462>? | The molecular formula for <BB_9462> (CC(C)(C)c1ccccc1O) is C10H14O. | |
Describe the ring structures in building block <BB_9462>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9462>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9462>. | **Token:** <BB_9462>
**SMILES:** CC(C)(C)c1ccccc1O
**Molecular Formula:** C10H14O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9463>. | O=S(=O)(Cl)CCCC(F)F | |
What is the building block token for the following molecule? | O=S(=O)(Cl)CCCC(F)F | <BB_9463> |
What is the molecular formula for <BB_9463>? | The molecular formula for <BB_9463> (O=S(=O)(Cl)CCCC(F)F) is C4H7ClF2O2S. | |
Describe the ring structures in building block <BB_9463>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9463>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9463>. | **Token:** <BB_9463>
**SMILES:** O=S(=O)(Cl)CCCC(F)F
**Molecular Formula:** C4H7ClF2O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9464>. | Cl.Cl.NCC1CCN(c2ncnc3[nH]ccc23)CC1 | |
What is the building block token for the following molecule? | Cl.Cl.NCC1CCN(c2ncnc3[nH]ccc23)CC1 | <BB_9464> |
What is the molecular formula for <BB_9464>? | The molecular formula for <BB_9464> (Cl.Cl.NCC1CCN(c2ncnc3[nH]ccc23)CC1) is C12H19Cl2N5. | |
Describe the ring structures in building block <BB_9464>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9464>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9464>. | **Token:** <BB_9464>
**SMILES:** Cl.Cl.NCC1CCN(c2ncnc3[nH]ccc23)CC1
**Molecular Formula:** C12H19Cl2N5
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9465>. | Cc1cc(Br)ccc1[C@@H](C)N.Cl | |
What is the building block token for the following molecule? | Cc1cc(Br)ccc1[C@@H](C)N.Cl | <BB_9465> |
What is the molecular formula for <BB_9465>? | The molecular formula for <BB_9465> (Cc1cc(Br)ccc1[C@@H](C)N.Cl) is C9H13BrClN. | |
Describe the ring structures in building block <BB_9465>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9465>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9465>. | **Token:** <BB_9465>
**SMILES:** Cc1cc(Br)ccc1[C@@H](C)N.Cl
**Molecular Formula:** C9H13BrClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9466>. | CC(C)(C)OC(=O)N1CCN(S(C)(=N)=O)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCN(S(C)(=N)=O)CC1 | <BB_9466> |
What is the molecular formula for <BB_9466>? | The molecular formula for <BB_9466> (CC(C)(C)OC(=O)N1CCN(S(C)(=N)=O)CC1) is C10H21N3O3S. | |
Describe the ring structures in building block <BB_9466>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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