instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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What is the molecular formula for <BB_2133>? | The molecular formula for <BB_2133> (CC(CCO)CC(=O)[O-].[Na+]) is C6H11NaO3. | |
Describe the ring structures in building block <BB_2133>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2133>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2133>. | **Token:** <BB_2133>
**SMILES:** CC(CCO)CC(=O)[O-].[Na+]
**Molecular Formula:** C6H11NaO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2134>. | O=C1COC(C2CCC2)CN1 | |
What is the building block token for the following molecule? | O=C1COC(C2CCC2)CN1 | <BB_2134> |
What is the molecular formula for <BB_2134>? | The molecular formula for <BB_2134> (O=C1COC(C2CCC2)CN1) is C8H13NO2. | |
Describe the ring structures in building block <BB_2134>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2134>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2134>. | **Token:** <BB_2134>
**SMILES:** O=C1COC(C2CCC2)CN1
**Molecular Formula:** C8H13NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2135>. | CC(=O)c1cccc(OCC(=O)N(C)C)c1 | |
What is the building block token for the following molecule? | CC(=O)c1cccc(OCC(=O)N(C)C)c1 | <BB_2135> |
What is the molecular formula for <BB_2135>? | The molecular formula for <BB_2135> (CC(=O)c1cccc(OCC(=O)N(C)C)c1) is C12H15NO3. | |
Describe the ring structures in building block <BB_2135>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2135>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2135>. | **Token:** <BB_2135>
**SMILES:** CC(=O)c1cccc(OCC(=O)N(C)C)c1
**Molecular Formula:** C12H15NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_2136>. | NC1CCCc2c1cnn2Cc1ccccc1 | |
What is the building block token for the following molecule? | NC1CCCc2c1cnn2Cc1ccccc1 | <BB_2136> |
What is the molecular formula for <BB_2136>? | The molecular formula for <BB_2136> (NC1CCCc2c1cnn2Cc1ccccc1) is C14H17N3. | |
Describe the ring structures in building block <BB_2136>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2136>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2136>. | **Token:** <BB_2136>
**SMILES:** NC1CCCc2c1cnn2Cc1ccccc1
**Molecular Formula:** C14H17N3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2137>. | COC(=O)C(C)(O)C(C)C | |
What is the building block token for the following molecule? | COC(=O)C(C)(O)C(C)C | <BB_2137> |
What is the molecular formula for <BB_2137>? | The molecular formula for <BB_2137> (COC(=O)C(C)(O)C(C)C) is C7H14O3. | |
Describe the ring structures in building block <BB_2137>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2137>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2137>. | **Token:** <BB_2137>
**SMILES:** COC(=O)C(C)(O)C(C)C
**Molecular Formula:** C7H14O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2138>. | O=C([O-])C1(c2ncccc2Br)CCC1.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])C1(c2ncccc2Br)CCC1.[Li+] | <BB_2138> |
What is the molecular formula for <BB_2138>? | The molecular formula for <BB_2138> (O=C([O-])C1(c2ncccc2Br)CCC1.[Li+]) is C10H9BrLiNO2. | |
Describe the ring structures in building block <BB_2138>. | 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_2138>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2138>. | **Token:** <BB_2138>
**SMILES:** O=C([O-])C1(c2ncccc2Br)CCC1.[Li+]
**Molecular Formula:** C10H9BrLiNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2139>. | Clc1cccc(SCCBr)c1 | |
What is the building block token for the following molecule? | Clc1cccc(SCCBr)c1 | <BB_2139> |
What is the molecular formula for <BB_2139>? | The molecular formula for <BB_2139> (Clc1cccc(SCCBr)c1) is C8H8BrClS. | |
Describe the ring structures in building block <BB_2139>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2139>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2139>. | **Token:** <BB_2139>
**SMILES:** Clc1cccc(SCCBr)c1
**Molecular Formula:** C8H8BrClS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2140>. | O=C1COCc2c(Br)cncc21 | |
What is the building block token for the following molecule? | O=C1COCc2c(Br)cncc21 | <BB_2140> |
What is the molecular formula for <BB_2140>? | The molecular formula for <BB_2140> (O=C1COCc2c(Br)cncc21) is C8H6BrNO2. | |
Describe the ring structures in building block <BB_2140>. | 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_2140>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2140>. | **Token:** <BB_2140>
**SMILES:** O=C1COCc2c(Br)cncc21
**Molecular Formula:** C8H6BrNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2141>. | Cl.Nc1cc2c(cc1Cl)OCCO2 | |
What is the building block token for the following molecule? | Cl.Nc1cc2c(cc1Cl)OCCO2 | <BB_2141> |
What is the molecular formula for <BB_2141>? | The molecular formula for <BB_2141> (Cl.Nc1cc2c(cc1Cl)OCCO2) is C8H9Cl2NO2. | |
Describe the ring structures in building block <BB_2141>. | 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_2141>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2141>. | **Token:** <BB_2141>
**SMILES:** Cl.Nc1cc2c(cc1Cl)OCCO2
**Molecular Formula:** C8H9Cl2NO2
**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_2142>. | COc1ccc(C=NO)c(OC)c1 | |
What is the building block token for the following molecule? | COc1ccc(C=NO)c(OC)c1 | <BB_2142> |
What is the molecular formula for <BB_2142>? | The molecular formula for <BB_2142> (COc1ccc(C=NO)c(OC)c1) is C9H11NO3. | |
Describe the ring structures in building block <BB_2142>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2142>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2142>. | **Token:** <BB_2142>
**SMILES:** COc1ccc(C=NO)c(OC)c1
**Molecular Formula:** C9H11NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2143>. | CC(=O)O[Pb]OC(C)=O | |
What is the building block token for the following molecule? | CC(=O)O[Pb]OC(C)=O | <BB_2143> |
What is the molecular formula for <BB_2143>? | The molecular formula for <BB_2143> (CC(=O)O[Pb]OC(C)=O) is C4H6O4Pb. | |
Describe the ring structures in building block <BB_2143>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2143>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2143>. | **Token:** <BB_2143>
**SMILES:** CC(=O)O[Pb]OC(C)=O
**Molecular Formula:** C4H6O4Pb
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2144>. | NS(=O)(=O)C1CCC(c2ccccc2)CC1 | |
What is the building block token for the following molecule? | NS(=O)(=O)C1CCC(c2ccccc2)CC1 | <BB_2144> |
What is the molecular formula for <BB_2144>? | The molecular formula for <BB_2144> (NS(=O)(=O)C1CCC(c2ccccc2)CC1) is C12H17NO2S. | |
Describe the ring structures in building block <BB_2144>. | 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_2144>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2144>. | **Token:** <BB_2144>
**SMILES:** NS(=O)(=O)C1CCC(c2ccccc2)CC1
**Molecular Formula:** C12H17NO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2145>. | C[C@@H](N)c1ccc(Cl)cc1Cl.Cl | |
What is the building block token for the following molecule? | C[C@@H](N)c1ccc(Cl)cc1Cl.Cl | <BB_2145> |
What is the molecular formula for <BB_2145>? | The molecular formula for <BB_2145> (C[C@@H](N)c1ccc(Cl)cc1Cl.Cl) is C8H10Cl3N. | |
Describe the ring structures in building block <BB_2145>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2145>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2145>. | **Token:** <BB_2145>
**SMILES:** C[C@@H](N)c1ccc(Cl)cc1Cl.Cl
**Molecular Formula:** C8H10Cl3N
**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_2146>. | c1cnc2c(c1)CCCN2 | |
What is the building block token for the following molecule? | c1cnc2c(c1)CCCN2 | <BB_2146> |
What is the molecular formula for <BB_2146>? | The molecular formula for <BB_2146> (c1cnc2c(c1)CCCN2) is C8H10N2. | |
Describe the ring structures in building block <BB_2146>. | 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_2146>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2146>. | **Token:** <BB_2146>
**SMILES:** c1cnc2c(c1)CCCN2
**Molecular Formula:** C8H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2147>. | Cl.Clc1ccc2c(c1Br)CNCC2 | |
What is the building block token for the following molecule? | Cl.Clc1ccc2c(c1Br)CNCC2 | <BB_2147> |
What is the molecular formula for <BB_2147>? | The molecular formula for <BB_2147> (Cl.Clc1ccc2c(c1Br)CNCC2) is C9H10BrCl2N. | |
Describe the ring structures in building block <BB_2147>. | 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_2147>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2147>. | **Token:** <BB_2147>
**SMILES:** Cl.Clc1ccc2c(c1Br)CNCC2
**Molecular Formula:** C9H10BrCl2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2148>. | NS(=O)(=O)N1CCCCC1 | |
What is the building block token for the following molecule? | NS(=O)(=O)N1CCCCC1 | <BB_2148> |
What is the molecular formula for <BB_2148>? | The molecular formula for <BB_2148> (NS(=O)(=O)N1CCCCC1) is C5H12N2O2S. | |
Describe the ring structures in building block <BB_2148>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2148>. | The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2148>. | **Token:** <BB_2148>
**SMILES:** NS(=O)(=O)N1CCCCC1
**Molecular Formula:** C5H12N2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2149>. | CC(C#N)CS(=O)(=O)Cl | |
What is the building block token for the following molecule? | CC(C#N)CS(=O)(=O)Cl | <BB_2149> |
What is the molecular formula for <BB_2149>? | The molecular formula for <BB_2149> (CC(C#N)CS(=O)(=O)Cl) is C4H6ClNO2S. | |
Describe the ring structures in building block <BB_2149>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2149>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2149>. | **Token:** <BB_2149>
**SMILES:** CC(C#N)CS(=O)(=O)Cl
**Molecular Formula:** C4H6ClNO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile |
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