instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2116>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2116>. | **Token:** <BB_2116>
**SMILES:** CC1C(CO)CCCN1C(=O)OC(C)(C)C
**Molecular Formula:** C12H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2117>. | OC1(c2cccc(Br)c2)CCOC1 | |
What is the building block token for the following molecule? | OC1(c2cccc(Br)c2)CCOC1 | <BB_2117> |
What is the molecular formula for <BB_2117>? | The molecular formula for <BB_2117> (OC1(c2cccc(Br)c2)CCOC1) is C10H11BrO2. | |
Describe the ring structures in building block <BB_2117>. | 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_2117>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2117>. | **Token:** <BB_2117>
**SMILES:** OC1(c2cccc(Br)c2)CCOC1
**Molecular Formula:** C10H11BrO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2118>. | CN1CCn2ncc(CO)c2C1 | |
What is the building block token for the following molecule? | CN1CCn2ncc(CO)c2C1 | <BB_2118> |
What is the molecular formula for <BB_2118>? | The molecular formula for <BB_2118> (CN1CCn2ncc(CO)c2C1) is C8H13N3O. | |
Describe the ring structures in building block <BB_2118>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2118>. | The molecule contains the following groups: Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2118>. | **Token:** <BB_2118>
**SMILES:** CN1CCn2ncc(CO)c2C1
**Molecular Formula:** C8H13N3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_2119>. | C1COC2(CCOCC2)CN1 | |
What is the building block token for the following molecule? | C1COC2(CCOCC2)CN1 | <BB_2119> |
What is the molecular formula for <BB_2119>? | The molecular formula for <BB_2119> (C1COC2(CCOCC2)CN1) is C8H15NO2. | |
Describe the ring structures in building block <BB_2119>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2119>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2119>. | **Token:** <BB_2119>
**SMILES:** C1COC2(CCOCC2)CN1
**Molecular Formula:** C8H15NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2120>. | Cc1ccc2oc(C(=O)O)cc2n1.Cl | |
What is the building block token for the following molecule? | Cc1ccc2oc(C(=O)O)cc2n1.Cl | <BB_2120> |
What is the molecular formula for <BB_2120>? | The molecular formula for <BB_2120> (Cc1ccc2oc(C(=O)O)cc2n1.Cl) is C9H8ClNO3. | |
Describe the ring structures in building block <BB_2120>. | 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_2120>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2120>. | **Token:** <BB_2120>
**SMILES:** Cc1ccc2oc(C(=O)O)cc2n1.Cl
**Molecular Formula:** C9H8ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_2121>. | CC(C)(C)OC(=O)N1CC2(C1)CC(O)(C(F)(F)F)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2(C1)CC(O)(C(F)(F)F)C2 | <BB_2121> |
What is the molecular formula for <BB_2121>? | The molecular formula for <BB_2121> (CC(C)(C)OC(=O)N1CC2(C1)CC(O)(C(F)(F)F)C2) is C12H18F3NO3. | |
Describe the ring structures in building block <BB_2121>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2121>. | The molecule contains the following groups: Amide, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2121>. | **Token:** <BB_2121>
**SMILES:** CC(C)(C)OC(=O)N1CC2(C1)CC(O)(C(F)(F)F)C2
**Molecular Formula:** C12H18F3NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2122>. | O=C1NC(C2CCNCC2)C12CCC2 | |
What is the building block token for the following molecule? | O=C1NC(C2CCNCC2)C12CCC2 | <BB_2122> |
What is the molecular formula for <BB_2122>? | The molecular formula for <BB_2122> (O=C1NC(C2CCNCC2)C12CCC2) is C11H18N2O. | |
Describe the ring structures in building block <BB_2122>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2122>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2122>. | **Token:** <BB_2122>
**SMILES:** O=C1NC(C2CCNCC2)C12CCC2
**Molecular Formula:** C11H18N2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_2123>. | C[C@H](N)c1ccnn1C.Cl | |
What is the building block token for the following molecule? | C[C@H](N)c1ccnn1C.Cl | <BB_2123> |
What is the molecular formula for <BB_2123>? | The molecular formula for <BB_2123> (C[C@H](N)c1ccnn1C.Cl) is C6H12ClN3. | |
Describe the ring structures in building block <BB_2123>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2123>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2123>. | **Token:** <BB_2123>
**SMILES:** C[C@H](N)c1ccnn1C.Cl
**Molecular Formula:** C6H12ClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2124>. | CCOC(=O)c1onc(Br)c1C | |
What is the building block token for the following molecule? | CCOC(=O)c1onc(Br)c1C | <BB_2124> |
What is the molecular formula for <BB_2124>? | The molecular formula for <BB_2124> (CCOC(=O)c1onc(Br)c1C) is C7H8BrNO3. | |
Describe the ring structures in building block <BB_2124>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2124>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2124>. | **Token:** <BB_2124>
**SMILES:** CCOC(=O)c1onc(Br)c1C
**Molecular Formula:** C7H8BrNO3
**Ring System:** The molecule contains 1 ring(s): 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_2125>. | Nc1ccccc1NCCCc1ccccc1 | |
What is the building block token for the following molecule? | Nc1ccccc1NCCCc1ccccc1 | <BB_2125> |
What is the molecular formula for <BB_2125>? | The molecular formula for <BB_2125> (Nc1ccccc1NCCCc1ccccc1) is C15H18N2. | |
Describe the ring structures in building block <BB_2125>. | 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_2125>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2125>. | **Token:** <BB_2125>
**SMILES:** Nc1ccccc1NCCCc1ccccc1
**Molecular Formula:** C15H18N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2126>. | COc1c(C)nc(C2CC2)nc1O | |
What is the building block token for the following molecule? | COc1c(C)nc(C2CC2)nc1O | <BB_2126> |
What is the molecular formula for <BB_2126>? | The molecular formula for <BB_2126> (COc1c(C)nc(C2CC2)nc1O) is C9H12N2O2. | |
Describe the ring structures in building block <BB_2126>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2126>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2126>. | **Token:** <BB_2126>
**SMILES:** COc1c(C)nc(C2CC2)nc1O
**Molecular Formula:** C9H12N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2127>. | CCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1 | |
What is the building block token for the following molecule? | CCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1 | <BB_2127> |
What is the molecular formula for <BB_2127>? | The molecular formula for <BB_2127> (CCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1) is C12H11ClN2O2S. | |
Describe the ring structures in building block <BB_2127>. | 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_2127>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2127>. | **Token:** <BB_2127>
**SMILES:** CCOC(=O)c1csc(Nc2ccc(Cl)cc2)n1
**Molecular Formula:** C12H11ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2128>. | Cc1cc(C(=O)O)n(CCNC(=O)OC(C)(C)C)n1 | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)n(CCNC(=O)OC(C)(C)C)n1 | <BB_2128> |
What is the molecular formula for <BB_2128>? | The molecular formula for <BB_2128> (Cc1cc(C(=O)O)n(CCNC(=O)OC(C)(C)C)n1) is C12H19N3O4. | |
Describe the ring structures in building block <BB_2128>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2128>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2128>. | **Token:** <BB_2128>
**SMILES:** Cc1cc(C(=O)O)n(CCNC(=O)OC(C)(C)C)n1
**Molecular Formula:** C12H19N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2129>. | Cl.NC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 | |
What is the building block token for the following molecule? | Cl.NC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 | <BB_2129> |
What is the molecular formula for <BB_2129>? | The molecular formula for <BB_2129> (Cl.NC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1) is C11H16ClN3O3S. | |
Describe the ring structures in building block <BB_2129>. | 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_2129>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2129>. | **Token:** <BB_2129>
**SMILES:** Cl.NC(=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1
**Molecular Formula:** C11H16ClN3O3S
**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, Amide, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2130>. | C=CC(=O)Nc1ccc([N+](=O)[O-])cc1 | |
What is the building block token for the following molecule? | C=CC(=O)Nc1ccc([N+](=O)[O-])cc1 | <BB_2130> |
What is the molecular formula for <BB_2130>? | The molecular formula for <BB_2130> (C=CC(=O)Nc1ccc([N+](=O)[O-])cc1) is C9H8N2O3. | |
Describe the ring structures in building block <BB_2130>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2130>. | The molecule contains the following groups: Tertiary Amine, Amide, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2130>. | **Token:** <BB_2130>
**SMILES:** C=CC(=O)Nc1ccc([N+](=O)[O-])cc1
**Molecular Formula:** C9H8N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Nitro | |
Provide the SMILES representation for the building block token <BB_2131>. | COC(=O)c1nc(Cl)sc1C | |
What is the building block token for the following molecule? | COC(=O)c1nc(Cl)sc1C | <BB_2131> |
What is the molecular formula for <BB_2131>? | The molecular formula for <BB_2131> (COC(=O)c1nc(Cl)sc1C) is C6H6ClNO2S. | |
Describe the ring structures in building block <BB_2131>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2131>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2131>. | **Token:** <BB_2131>
**SMILES:** COC(=O)c1nc(Cl)sc1C
**Molecular Formula:** C6H6ClNO2S
**Ring System:** The molecule contains 1 ring(s): 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_2132>. | N#Cc1cccc(C#N)c1 | |
What is the building block token for the following molecule? | N#Cc1cccc(C#N)c1 | <BB_2132> |
What is the molecular formula for <BB_2132>? | The molecular formula for <BB_2132> (N#Cc1cccc(C#N)c1) is C8H4N2. | |
Describe the ring structures in building block <BB_2132>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2132>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2132>. | **Token:** <BB_2132>
**SMILES:** N#Cc1cccc(C#N)c1
**Molecular Formula:** C8H4N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_2133>. | CC(CCO)CC(=O)[O-].[Na+] | |
What is the building block token for the following molecule? | CC(CCO)CC(=O)[O-].[Na+] | <BB_2133> |
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