instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9900>. | CC(C)(C)OC(=O)NC[C@H]1N[C@@H]2CC[C@H]1C2.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC[C@H]1N[C@@H]2CC[C@H]1C2.Cl | <BB_9900> |
What is the molecular formula for <BB_9900>? | The molecular formula for <BB_9900> (CC(C)(C)OC(=O)NC[C@H]1N[C@@H]2CC[C@H]1C2.Cl) is C12H23ClN2O2. | |
Describe the ring structures in building block <BB_9900>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9900>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9900>. | **Token:** <BB_9900>
**SMILES:** CC(C)(C)OC(=O)NC[C@H]1N[C@@H]2CC[C@H]1C2.Cl
**Molecular Formula:** C12H23ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9901>. | CC(F)(F)Cn1ccc(C(=O)O)n1 | |
What is the building block token for the following molecule? | CC(F)(F)Cn1ccc(C(=O)O)n1 | <BB_9901> |
What is the molecular formula for <BB_9901>? | The molecular formula for <BB_9901> (CC(F)(F)Cn1ccc(C(=O)O)n1) is C7H8F2N2O2. | |
Describe the ring structures in building block <BB_9901>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9901>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9901>. | **Token:** <BB_9901>
**SMILES:** CC(F)(F)Cn1ccc(C(=O)O)n1
**Molecular Formula:** C7H8F2N2O2
**Ring System:** The molecule contains 1 ring(s): 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_9902>. | CC(=O)N1CCN(N=O)CC1 | |
What is the building block token for the following molecule? | CC(=O)N1CCN(N=O)CC1 | <BB_9902> |
What is the molecular formula for <BB_9902>? | The molecular formula for <BB_9902> (CC(=O)N1CCN(N=O)CC1) is C6H11N3O2. | |
Describe the ring structures in building block <BB_9902>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9902>. | The molecule contains the following groups: Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9902>. | **Token:** <BB_9902>
**SMILES:** CC(=O)N1CCN(N=O)CC1
**Molecular Formula:** C6H11N3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9903>. | CC(C)(C)OC(=O)N1C(CC(=O)O)[C@H]2CCCC[C@H]21 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C(CC(=O)O)[C@H]2CCCC[C@H]21 | <BB_9903> |
What is the molecular formula for <BB_9903>? | The molecular formula for <BB_9903> (CC(C)(C)OC(=O)N1C(CC(=O)O)[C@H]2CCCC[C@H]21) is C14H23NO4. | |
Describe the ring structures in building block <BB_9903>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9903>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9903>. | **Token:** <BB_9903>
**SMILES:** CC(C)(C)OC(=O)N1C(CC(=O)O)[C@H]2CCCC[C@H]21
**Molecular Formula:** C14H23NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9904>. | CCOc1ccc(OCCN)cc1.Cl | |
What is the building block token for the following molecule? | CCOc1ccc(OCCN)cc1.Cl | <BB_9904> |
What is the molecular formula for <BB_9904>? | The molecular formula for <BB_9904> (CCOc1ccc(OCCN)cc1.Cl) is C10H16ClNO2. | |
Describe the ring structures in building block <BB_9904>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9904>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9904>. | **Token:** <BB_9904>
**SMILES:** CCOc1ccc(OCCN)cc1.Cl
**Molecular Formula:** C10H16ClNO2
**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_9905>. | O=Cc1cc(O)c2ccsc2c1 | |
What is the building block token for the following molecule? | O=Cc1cc(O)c2ccsc2c1 | <BB_9905> |
What is the molecular formula for <BB_9905>? | The molecular formula for <BB_9905> (O=Cc1cc(O)c2ccsc2c1) is C9H6O2S. | |
Describe the ring structures in building block <BB_9905>. | 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_9905>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9905>. | **Token:** <BB_9905>
**SMILES:** O=Cc1cc(O)c2ccsc2c1
**Molecular Formula:** C9H6O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9906>. | Nc1cc(-c2c(Cl)cccc2Cl)on1 | |
What is the building block token for the following molecule? | Nc1cc(-c2c(Cl)cccc2Cl)on1 | <BB_9906> |
What is the molecular formula for <BB_9906>? | The molecular formula for <BB_9906> (Nc1cc(-c2c(Cl)cccc2Cl)on1) is C9H6Cl2N2O. | |
Describe the ring structures in building block <BB_9906>. | 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_9906>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9906>. | **Token:** <BB_9906>
**SMILES:** Nc1cc(-c2c(Cl)cccc2Cl)on1
**Molecular Formula:** C9H6Cl2N2O
**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_9907>. | CC(N)(C#N)C1CCCCC1 | |
What is the building block token for the following molecule? | CC(N)(C#N)C1CCCCC1 | <BB_9907> |
What is the molecular formula for <BB_9907>? | The molecular formula for <BB_9907> (CC(N)(C#N)C1CCCCC1) is C9H16N2. | |
Describe the ring structures in building block <BB_9907>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9907>. | The molecule contains the following groups: Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9907>. | **Token:** <BB_9907>
**SMILES:** CC(N)(C#N)C1CCCCC1
**Molecular Formula:** C9H16N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_9908>. | COC(=O)c1csc(C=O)n1 | |
What is the building block token for the following molecule? | COC(=O)c1csc(C=O)n1 | <BB_9908> |
What is the molecular formula for <BB_9908>? | The molecular formula for <BB_9908> (COC(=O)c1csc(C=O)n1) is C6H5NO3S. | |
Describe the ring structures in building block <BB_9908>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9908>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9908>. | **Token:** <BB_9908>
**SMILES:** COC(=O)c1csc(C=O)n1
**Molecular Formula:** C6H5NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9909>. | O=Cc1scc(-c2ccc(F)cc2)c1C(=O)O | |
What is the building block token for the following molecule? | O=Cc1scc(-c2ccc(F)cc2)c1C(=O)O | <BB_9909> |
What is the molecular formula for <BB_9909>? | The molecular formula for <BB_9909> (O=Cc1scc(-c2ccc(F)cc2)c1C(=O)O) is C12H7FO3S. | |
Describe the ring structures in building block <BB_9909>. | 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_9909>. | The molecule contains the following groups: Carboxylic Acid, Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9909>. | **Token:** <BB_9909>
**SMILES:** O=Cc1scc(-c2ccc(F)cc2)c1C(=O)O
**Molecular Formula:** C12H7FO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9910>. | CCOC(=O)NC1CCNCC1.Cl | |
What is the building block token for the following molecule? | CCOC(=O)NC1CCNCC1.Cl | <BB_9910> |
What is the molecular formula for <BB_9910>? | The molecular formula for <BB_9910> (CCOC(=O)NC1CCNCC1.Cl) is C8H17ClN2O2. | |
Describe the ring structures in building block <BB_9910>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9910>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9910>. | **Token:** <BB_9910>
**SMILES:** CCOC(=O)NC1CCNCC1.Cl
**Molecular Formula:** C8H17ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9911>. | Cl.Cl.NCc1ncccc1Cl | |
What is the building block token for the following molecule? | Cl.Cl.NCc1ncccc1Cl | <BB_9911> |
What is the molecular formula for <BB_9911>? | The molecular formula for <BB_9911> (Cl.Cl.NCc1ncccc1Cl) is C6H9Cl3N2. | |
Describe the ring structures in building block <BB_9911>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9911>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9911>. | **Token:** <BB_9911>
**SMILES:** Cl.Cl.NCc1ncccc1Cl
**Molecular Formula:** C6H9Cl3N2
**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_9912>. | O=C(NCCCCC(Br)C(=O)O)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(NCCCCC(Br)C(=O)O)c1ccccc1 | <BB_9912> |
What is the molecular formula for <BB_9912>? | The molecular formula for <BB_9912> (O=C(NCCCCC(Br)C(=O)O)c1ccccc1) is C13H16BrNO3. | |
Describe the ring structures in building block <BB_9912>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9912>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9912>. | **Token:** <BB_9912>
**SMILES:** O=C(NCCCCC(Br)C(=O)O)c1ccccc1
**Molecular Formula:** C13H16BrNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9913>. | O=Cc1cc(O)ccc1Br | |
What is the building block token for the following molecule? | O=Cc1cc(O)ccc1Br | <BB_9913> |
What is the molecular formula for <BB_9913>? | The molecular formula for <BB_9913> (O=Cc1cc(O)ccc1Br) is C7H5BrO2. | |
Describe the ring structures in building block <BB_9913>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9913>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9913>. | **Token:** <BB_9913>
**SMILES:** O=Cc1cc(O)ccc1Br
**Molecular Formula:** C7H5BrO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9914>. | CC(C)(C)OC(=O)N1CCC(=O)CCCCC(O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(=O)CCCCC(O)C1 | <BB_9914> |
What is the molecular formula for <BB_9914>? | The molecular formula for <BB_9914> (CC(C)(C)OC(=O)N1CCC(=O)CCCCC(O)C1) is C14H25NO4. | |
Describe the ring structures in building block <BB_9914>. | The molecule contains 1 ring(s): an aliphatic ring of size 10. | |
List the primary functional groups present in <BB_9914>. | The molecule contains the following groups: Amide, Ketone, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9914>. | **Token:** <BB_9914>
**SMILES:** CC(C)(C)OC(=O)N1CCC(=O)CCCCC(O)C1
**Molecular Formula:** C14H25NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 10.
**Functional Groups:** Amide, Ketone, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9915>. | C=CCn1c(S)nnc1-c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | C=CCn1c(S)nnc1-c1ccc(Br)cc1 | <BB_9915> |
What is the molecular formula for <BB_9915>? | The molecular formula for <BB_9915> (C=CCn1c(S)nnc1-c1ccc(Br)cc1) is C11H10BrN3S. | |
Describe the ring structures in building block <BB_9915>. | 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_9915>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9915>. | **Token:** <BB_9915>
**SMILES:** C=CCn1c(S)nnc1-c1ccc(Br)cc1
**Molecular Formula:** C11H10BrN3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9916>. | Oc1cccc(CCc2ccccc2)c1 | |
What is the building block token for the following molecule? | Oc1cccc(CCc2ccccc2)c1 | <BB_9916> |
What is the molecular formula for <BB_9916>? | The molecular formula for <BB_9916> (Oc1cccc(CCc2ccccc2)c1) is C14H14O. | |
Describe the ring structures in building block <BB_9916>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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