instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2433>? | The molecular formula for <BB_2433> (Nc1cc(C2CCOCC2)ccc1F) is C11H14FNO. | |
Describe the ring structures in building block <BB_2433>. | 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_2433>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2433>. | **Token:** <BB_2433>
**SMILES:** Nc1cc(C2CCOCC2)ccc1F
**Molecular Formula:** C11H14FNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2434>. | N=C(c1ccccc1)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | N=C(c1ccccc1)c1ccc(Cl)cc1 | <BB_2434> |
What is the molecular formula for <BB_2434>? | The molecular formula for <BB_2434> (N=C(c1ccccc1)c1ccc(Cl)cc1) is C13H10ClN. | |
Describe the ring structures in building block <BB_2434>. | 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_2434>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2434>. | **Token:** <BB_2434>
**SMILES:** N=C(c1ccccc1)c1ccc(Cl)cc1
**Molecular Formula:** C13H10ClN
**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_2435>. | CC1(c2ccccc2)CC(O)CCO1 | |
What is the building block token for the following molecule? | CC1(c2ccccc2)CC(O)CCO1 | <BB_2435> |
What is the molecular formula for <BB_2435>? | The molecular formula for <BB_2435> (CC1(c2ccccc2)CC(O)CCO1) is C12H16O2. | |
Describe the ring structures in building block <BB_2435>. | 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_2435>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2435>. | **Token:** <BB_2435>
**SMILES:** CC1(c2ccccc2)CC(O)CCO1
**Molecular Formula:** C12H16O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2436>. | O=C(CCl)c1cccc(Cl)n1 | |
What is the building block token for the following molecule? | O=C(CCl)c1cccc(Cl)n1 | <BB_2436> |
What is the molecular formula for <BB_2436>? | The molecular formula for <BB_2436> (O=C(CCl)c1cccc(Cl)n1) is C7H5Cl2NO. | |
Describe the ring structures in building block <BB_2436>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2436>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2436>. | **Token:** <BB_2436>
**SMILES:** O=C(CCl)c1cccc(Cl)n1
**Molecular Formula:** C7H5Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2437>. | COC(C)(CN)C1CCC(C(C)C)CC1.Cl | |
What is the building block token for the following molecule? | COC(C)(CN)C1CCC(C(C)C)CC1.Cl | <BB_2437> |
What is the molecular formula for <BB_2437>? | The molecular formula for <BB_2437> (COC(C)(CN)C1CCC(C(C)C)CC1.Cl) is C13H28ClNO. | |
Describe the ring structures in building block <BB_2437>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2437>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2437>. | **Token:** <BB_2437>
**SMILES:** COC(C)(CN)C1CCC(C(C)C)CC1.Cl
**Molecular Formula:** C13H28ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2438>. | CC(=O)OC1C=CC2C3CCC(C3)C12 | |
What is the building block token for the following molecule? | CC(=O)OC1C=CC2C3CCC(C3)C12 | <BB_2438> |
What is the molecular formula for <BB_2438>? | The molecular formula for <BB_2438> (CC(=O)OC1C=CC2C3CCC(C3)C12) is C12H16O2. | |
Describe the ring structures in building block <BB_2438>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2438>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2438>. | **Token:** <BB_2438>
**SMILES:** CC(=O)OC1C=CC2C3CCC(C3)C12
**Molecular Formula:** C12H16O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2439>. | COC(=O)c1nc(Cl)c2cnn(C)c2n1 | |
What is the building block token for the following molecule? | COC(=O)c1nc(Cl)c2cnn(C)c2n1 | <BB_2439> |
What is the molecular formula for <BB_2439>? | The molecular formula for <BB_2439> (COC(=O)c1nc(Cl)c2cnn(C)c2n1) is C8H7ClN4O2. | |
Describe the ring structures in building block <BB_2439>. | 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_2439>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2439>. | **Token:** <BB_2439>
**SMILES:** COC(=O)c1nc(Cl)c2cnn(C)c2n1
**Molecular Formula:** C8H7ClN4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2440>. | ON=Cc1ccc(OCc2ccccc2)cc1 | |
What is the building block token for the following molecule? | ON=Cc1ccc(OCc2ccccc2)cc1 | <BB_2440> |
What is the molecular formula for <BB_2440>? | The molecular formula for <BB_2440> (ON=Cc1ccc(OCc2ccccc2)cc1) is C14H13NO2. | |
Describe the ring structures in building block <BB_2440>. | 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_2440>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2440>. | **Token:** <BB_2440>
**SMILES:** ON=Cc1ccc(OCc2ccccc2)cc1
**Molecular Formula:** C14H13NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2441>. | O=C(O)Cc1cc(Br)cc(OS(=O)(=O)F)c1 | |
What is the building block token for the following molecule? | O=C(O)Cc1cc(Br)cc(OS(=O)(=O)F)c1 | <BB_2441> |
What is the molecular formula for <BB_2441>? | The molecular formula for <BB_2441> (O=C(O)Cc1cc(Br)cc(OS(=O)(=O)F)c1) is C8H6BrFO5S. | |
Describe the ring structures in building block <BB_2441>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2441>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2441>. | **Token:** <BB_2441>
**SMILES:** O=C(O)Cc1cc(Br)cc(OS(=O)(=O)F)c1
**Molecular Formula:** C8H6BrFO5S
**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_2442>. | CC(C)(C)OC(=O)N1CC(C)(C)C(=O)C1(C)C | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(C)(C)C(=O)C1(C)C | <BB_2442> |
What is the molecular formula for <BB_2442>? | The molecular formula for <BB_2442> (CC(C)(C)OC(=O)N1CC(C)(C)C(=O)C1(C)C) is C13H23NO3. | |
Describe the ring structures in building block <BB_2442>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2442>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2442>. | **Token:** <BB_2442>
**SMILES:** CC(C)(C)OC(=O)N1CC(C)(C)C(=O)C1(C)C
**Molecular Formula:** C13H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_2443>. | c1ccc2c(SCc3ccon3)nccc2c1 | |
What is the building block token for the following molecule? | c1ccc2c(SCc3ccon3)nccc2c1 | <BB_2443> |
What is the molecular formula for <BB_2443>? | The molecular formula for <BB_2443> (c1ccc2c(SCc3ccon3)nccc2c1) is C13H10N2OS. | |
Describe the ring structures in building block <BB_2443>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2443>. | The molecule contains the following groups: Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2443>. | **Token:** <BB_2443>
**SMILES:** c1ccc2c(SCc3ccon3)nccc2c1
**Molecular Formula:** C13H10N2OS
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Sulfide | |
Provide the SMILES representation for the building block token <BB_2444>. | Cl.N#Cc1ccc(N2CCNCC2)c(F)c1 | |
What is the building block token for the following molecule? | Cl.N#Cc1ccc(N2CCNCC2)c(F)c1 | <BB_2444> |
What is the molecular formula for <BB_2444>? | The molecular formula for <BB_2444> (Cl.N#Cc1ccc(N2CCNCC2)c(F)c1) is C11H13ClFN3. | |
Describe the ring structures in building block <BB_2444>. | 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_2444>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2444>. | **Token:** <BB_2444>
**SMILES:** Cl.N#Cc1ccc(N2CCNCC2)c(F)c1
**Molecular Formula:** C11H13ClFN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2445>. | CC(C)(C)OC(=O)c1c(-c2ccccc2)csc1N | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)c1c(-c2ccccc2)csc1N | <BB_2445> |
What is the molecular formula for <BB_2445>? | The molecular formula for <BB_2445> (CC(C)(C)OC(=O)c1c(-c2ccccc2)csc1N) is C15H17NO2S. | |
Describe the ring structures in building block <BB_2445>. | 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_2445>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2445>. | **Token:** <BB_2445>
**SMILES:** CC(C)(C)OC(=O)c1c(-c2ccccc2)csc1N
**Molecular Formula:** C15H17NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2446>. | CC(=O)Nc1cccc(Br)c1 | |
What is the building block token for the following molecule? | CC(=O)Nc1cccc(Br)c1 | <BB_2446> |
What is the molecular formula for <BB_2446>? | The molecular formula for <BB_2446> (CC(=O)Nc1cccc(Br)c1) is C8H8BrNO. | |
Describe the ring structures in building block <BB_2446>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2446>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2446>. | **Token:** <BB_2446>
**SMILES:** CC(=O)Nc1cccc(Br)c1
**Molecular Formula:** C8H8BrNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2447>. | CC(=O)OCCCCN=[N+]=[N-] | |
What is the building block token for the following molecule? | CC(=O)OCCCCN=[N+]=[N-] | <BB_2447> |
What is the molecular formula for <BB_2447>? | The molecular formula for <BB_2447> (CC(=O)OCCCCN=[N+]=[N-]) is C6H11N3O2. | |
Describe the ring structures in building block <BB_2447>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2447>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2447>. | **Token:** <BB_2447>
**SMILES:** CC(=O)OCCCCN=[N+]=[N-]
**Molecular Formula:** C6H11N3O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2448>. | CN(Cc1ccccc1)C(=O)NCCC(=O)O | |
What is the building block token for the following molecule? | CN(Cc1ccccc1)C(=O)NCCC(=O)O | <BB_2448> |
What is the molecular formula for <BB_2448>? | The molecular formula for <BB_2448> (CN(Cc1ccccc1)C(=O)NCCC(=O)O) is C12H16N2O3. | |
Describe the ring structures in building block <BB_2448>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2448>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2448>. | **Token:** <BB_2448>
**SMILES:** CN(Cc1ccccc1)C(=O)NCCC(=O)O
**Molecular Formula:** C12H16N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2449>. | O=C(O)c1cccn(-c2ccccc2)c1=O | |
What is the building block token for the following molecule? | O=C(O)c1cccn(-c2ccccc2)c1=O | <BB_2449> |
What is the molecular formula for <BB_2449>? | The molecular formula for <BB_2449> (O=C(O)c1cccn(-c2ccccc2)c1=O) is C12H9NO3. | |
Describe the ring structures in building block <BB_2449>. | 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_2449>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2449>. | **Token:** <BB_2449>
**SMILES:** O=C(O)c1cccn(-c2ccccc2)c1=O
**Molecular Formula:** C12H9NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid |
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