instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2416>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2416>. | **Token:** <BB_2416>
**SMILES:** CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1CN=[N+]=[N-]
**Molecular Formula:** C12H21N3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2417>. | CC(C)(C)OC(=O)N1CCC2(CCCC2=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC2(CCCC2=O)C1 | <BB_2417> |
What is the molecular formula for <BB_2417>? | The molecular formula for <BB_2417> (CC(C)(C)OC(=O)N1CCC2(CCCC2=O)C1) is C13H21NO3. | |
Describe the ring structures in building block <BB_2417>. | 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_2417>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2417>. | **Token:** <BB_2417>
**SMILES:** CC(C)(C)OC(=O)N1CCC2(CCCC2=O)C1
**Molecular Formula:** C13H21NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_2418>. | O=c1nc(C=NO)cc[nH]1 | |
What is the building block token for the following molecule? | O=c1nc(C=NO)cc[nH]1 | <BB_2418> |
What is the molecular formula for <BB_2418>? | The molecular formula for <BB_2418> (O=c1nc(C=NO)cc[nH]1) is C5H5N3O2. | |
Describe the ring structures in building block <BB_2418>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2418>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2418>. | **Token:** <BB_2418>
**SMILES:** O=c1nc(C=NO)cc[nH]1
**Molecular Formula:** C5H5N3O2
**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_2419>. | C#CC1CC(C)(C)N1C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C#CC1CC(C)(C)N1C(=O)OC(C)(C)C | <BB_2419> |
What is the molecular formula for <BB_2419>? | The molecular formula for <BB_2419> (C#CC1CC(C)(C)N1C(=O)OC(C)(C)C) is C12H19NO2. | |
Describe the ring structures in building block <BB_2419>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2419>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2419>. | **Token:** <BB_2419>
**SMILES:** C#CC1CC(C)(C)N1C(=O)OC(C)(C)C
**Molecular Formula:** C12H19NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2420>. | Nc1cc(Br)ccc1C1=NCCO1 | |
What is the building block token for the following molecule? | Nc1cc(Br)ccc1C1=NCCO1 | <BB_2420> |
What is the molecular formula for <BB_2420>? | The molecular formula for <BB_2420> (Nc1cc(Br)ccc1C1=NCCO1) is C9H9BrN2O. | |
Describe the ring structures in building block <BB_2420>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2420>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2420>. | **Token:** <BB_2420>
**SMILES:** Nc1cc(Br)ccc1C1=NCCO1
**Molecular Formula:** C9H9BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2421>. | CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CCC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CCC2 | <BB_2421> |
What is the molecular formula for <BB_2421>? | The molecular formula for <BB_2421> (CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CCC2) is C13H20N4O2. | |
Describe the ring structures in building block <BB_2421>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2421>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2421>. | **Token:** <BB_2421>
**SMILES:** CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CCC2
**Molecular Formula:** C13H20N4O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2422>. | Cc1cccc2[nH]cc(C(=O)O)c12 | |
What is the building block token for the following molecule? | Cc1cccc2[nH]cc(C(=O)O)c12 | <BB_2422> |
What is the molecular formula for <BB_2422>? | The molecular formula for <BB_2422> (Cc1cccc2[nH]cc(C(=O)O)c12) is C10H9NO2. | |
Describe the ring structures in building block <BB_2422>. | 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_2422>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2422>. | **Token:** <BB_2422>
**SMILES:** Cc1cccc2[nH]cc(C(=O)O)c12
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2423>. | COC(=O)c1sccc1N1C(=O)C=CC1=O | |
What is the building block token for the following molecule? | COC(=O)c1sccc1N1C(=O)C=CC1=O | <BB_2423> |
What is the molecular formula for <BB_2423>? | The molecular formula for <BB_2423> (COC(=O)c1sccc1N1C(=O)C=CC1=O) is C10H7NO4S. | |
Describe the ring structures in building block <BB_2423>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2423>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2423>. | **Token:** <BB_2423>
**SMILES:** COC(=O)c1sccc1N1C(=O)C=CC1=O
**Molecular Formula:** C10H7NO4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2424>. | Cn1c(N)c(C=O)c(=O)[nH]c1=O | |
What is the building block token for the following molecule? | Cn1c(N)c(C=O)c(=O)[nH]c1=O | <BB_2424> |
What is the molecular formula for <BB_2424>? | The molecular formula for <BB_2424> (Cn1c(N)c(C=O)c(=O)[nH]c1=O) is C6H7N3O3. | |
Describe the ring structures in building block <BB_2424>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2424>. | The molecule contains the following groups: Amine, Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2424>. | **Token:** <BB_2424>
**SMILES:** Cn1c(N)c(C=O)c(=O)[nH]c1=O
**Molecular Formula:** C6H7N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Aldehyde | |
Provide the SMILES representation for the building block token <BB_2425>. | Cc1nc(O)cc(Cl)n1 | |
What is the building block token for the following molecule? | Cc1nc(O)cc(Cl)n1 | <BB_2425> |
What is the molecular formula for <BB_2425>? | The molecular formula for <BB_2425> (Cc1nc(O)cc(Cl)n1) is C5H5ClN2O. | |
Describe the ring structures in building block <BB_2425>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2425>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2425>. | **Token:** <BB_2425>
**SMILES:** Cc1nc(O)cc(Cl)n1
**Molecular Formula:** C5H5ClN2O
**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_2426>. | Brc1ccc2ncccc2n1 | |
What is the building block token for the following molecule? | Brc1ccc2ncccc2n1 | <BB_2426> |
What is the molecular formula for <BB_2426>? | The molecular formula for <BB_2426> (Brc1ccc2ncccc2n1) is C8H5BrN2. | |
Describe the ring structures in building block <BB_2426>. | 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_2426>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2426>. | **Token:** <BB_2426>
**SMILES:** Brc1ccc2ncccc2n1
**Molecular Formula:** C8H5BrN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2427>. | OC1COc2ccc(Br)cc21 | |
What is the building block token for the following molecule? | OC1COc2ccc(Br)cc21 | <BB_2427> |
What is the molecular formula for <BB_2427>? | The molecular formula for <BB_2427> (OC1COc2ccc(Br)cc21) is C8H7BrO2. | |
Describe the ring structures in building block <BB_2427>. | 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_2427>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2427>. | **Token:** <BB_2427>
**SMILES:** OC1COc2ccc(Br)cc21
**Molecular Formula:** C8H7BrO2
**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_2428>. | C=CCC(F)(F)CO | |
What is the building block token for the following molecule? | C=CCC(F)(F)CO | <BB_2428> |
What is the molecular formula for <BB_2428>? | The molecular formula for <BB_2428> (C=CCC(F)(F)CO) is C5H8F2O. | |
Describe the ring structures in building block <BB_2428>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2428>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2428>. | **Token:** <BB_2428>
**SMILES:** C=CCC(F)(F)CO
**Molecular Formula:** C5H8F2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2429>. | CCOC(=O)[C@@H]1C[C@H]1c1cnccc1C | |
What is the building block token for the following molecule? | CCOC(=O)[C@@H]1C[C@H]1c1cnccc1C | <BB_2429> |
What is the molecular formula for <BB_2429>? | The molecular formula for <BB_2429> (CCOC(=O)[C@@H]1C[C@H]1c1cnccc1C) is C12H15NO2. | |
Describe the ring structures in building block <BB_2429>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2429>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2429>. | **Token:** <BB_2429>
**SMILES:** CCOC(=O)[C@@H]1C[C@H]1c1cnccc1C
**Molecular Formula:** C12H15NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2430>. | CC(=O)N1CCC(C(=O)O)C1 | |
What is the building block token for the following molecule? | CC(=O)N1CCC(C(=O)O)C1 | <BB_2430> |
What is the molecular formula for <BB_2430>? | The molecular formula for <BB_2430> (CC(=O)N1CCC(C(=O)O)C1) is C7H11NO3. | |
Describe the ring structures in building block <BB_2430>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2430>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2430>. | **Token:** <BB_2430>
**SMILES:** CC(=O)N1CCC(C(=O)O)C1
**Molecular Formula:** C7H11NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2431>. | Cc1cnc(C=O)c(F)c1 | |
What is the building block token for the following molecule? | Cc1cnc(C=O)c(F)c1 | <BB_2431> |
What is the molecular formula for <BB_2431>? | The molecular formula for <BB_2431> (Cc1cnc(C=O)c(F)c1) is C7H6FNO. | |
Describe the ring structures in building block <BB_2431>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2431>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2431>. | **Token:** <BB_2431>
**SMILES:** Cc1cnc(C=O)c(F)c1
**Molecular Formula:** C7H6FNO
**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_2432>. | CC(C)(C)OC(=O)N1C2CC(C(O)C2O)C1C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C2CC(C(O)C2O)C1C(=O)O | <BB_2432> |
What is the molecular formula for <BB_2432>? | The molecular formula for <BB_2432> (CC(C)(C)OC(=O)N1C2CC(C(O)C2O)C1C(=O)O) is C12H19NO6. | |
Describe the ring structures in building block <BB_2432>. | 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_2432>. | The molecule contains the following groups: Carboxylic Acid, Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2432>. | **Token:** <BB_2432>
**SMILES:** CC(C)(C)OC(=O)N1C2CC(C(O)C2O)C1C(=O)O
**Molecular Formula:** C12H19NO6
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2433>. | Nc1cc(C2CCOCC2)ccc1F | |
What is the building block token for the following molecule? | Nc1cc(C2CCOCC2)ccc1F | <BB_2433> |
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