instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2033>? | The molecular formula for <BB_2033> (CCc1csc(B(O)O)c1) is C6H9BO2S. | |
Describe the ring structures in building block <BB_2033>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2033>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2033>. | **Token:** <BB_2033>
**SMILES:** CCc1csc(B(O)O)c1
**Molecular Formula:** C6H9BO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2034>. | CC(C)n1cc(N)c(OCCC(F)(F)F)n1.Cl | |
What is the building block token for the following molecule? | CC(C)n1cc(N)c(OCCC(F)(F)F)n1.Cl | <BB_2034> |
What is the molecular formula for <BB_2034>? | The molecular formula for <BB_2034> (CC(C)n1cc(N)c(OCCC(F)(F)F)n1.Cl) is C9H15ClF3N3O. | |
Describe the ring structures in building block <BB_2034>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2034>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2034>. | **Token:** <BB_2034>
**SMILES:** CC(C)n1cc(N)c(OCCC(F)(F)F)n1.Cl
**Molecular Formula:** C9H15ClF3N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2035>. | Cc1cc(CCN)no1 | |
What is the building block token for the following molecule? | Cc1cc(CCN)no1 | <BB_2035> |
What is the molecular formula for <BB_2035>? | The molecular formula for <BB_2035> (Cc1cc(CCN)no1) is C6H10N2O. | |
Describe the ring structures in building block <BB_2035>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2035>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2035>. | **Token:** <BB_2035>
**SMILES:** Cc1cc(CCN)no1
**Molecular Formula:** C6H10N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2036>. | Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N)cc1.Cl | |
What is the building block token for the following molecule? | Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N)cc1.Cl | <BB_2036> |
What is the molecular formula for <BB_2036>? | The molecular formula for <BB_2036> (Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N)cc1.Cl) is C13H20ClNO2S. | |
Describe the ring structures in building block <BB_2036>. | 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_2036>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2036>. | **Token:** <BB_2036>
**SMILES:** Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2N)cc1.Cl
**Molecular Formula:** C13H20ClNO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2037>. | CC1CCNCC1NC(=O)C(F)(F)F | |
What is the building block token for the following molecule? | CC1CCNCC1NC(=O)C(F)(F)F | <BB_2037> |
What is the molecular formula for <BB_2037>? | The molecular formula for <BB_2037> (CC1CCNCC1NC(=O)C(F)(F)F) is C8H13F3N2O. | |
Describe the ring structures in building block <BB_2037>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2037>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2037>. | **Token:** <BB_2037>
**SMILES:** CC1CCNCC1NC(=O)C(F)(F)F
**Molecular Formula:** C8H13F3N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2038>. | CCOC(=O)c1cc2cc(Cl)ccc2[nH]c1=O | |
What is the building block token for the following molecule? | CCOC(=O)c1cc2cc(Cl)ccc2[nH]c1=O | <BB_2038> |
What is the molecular formula for <BB_2038>? | The molecular formula for <BB_2038> (CCOC(=O)c1cc2cc(Cl)ccc2[nH]c1=O) is C12H10ClNO3. | |
Describe the ring structures in building block <BB_2038>. | 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_2038>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2038>. | **Token:** <BB_2038>
**SMILES:** CCOC(=O)c1cc2cc(Cl)ccc2[nH]c1=O
**Molecular Formula:** C12H10ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2039>. | COC(=O)c1cnn(CCN)c1.Cl | |
What is the building block token for the following molecule? | COC(=O)c1cnn(CCN)c1.Cl | <BB_2039> |
What is the molecular formula for <BB_2039>? | The molecular formula for <BB_2039> (COC(=O)c1cnn(CCN)c1.Cl) is C7H12ClN3O2. | |
Describe the ring structures in building block <BB_2039>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2039>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2039>. | **Token:** <BB_2039>
**SMILES:** COC(=O)c1cnn(CCN)c1.Cl
**Molecular Formula:** C7H12ClN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2040>. | CC1(C)OB(c2ccc(F)cc2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2ccc(F)cc2)OC1(C)C | <BB_2040> |
What is the molecular formula for <BB_2040>? | The molecular formula for <BB_2040> (CC1(C)OB(c2ccc(F)cc2)OC1(C)C) is C12H16BFO2. | |
Describe the ring structures in building block <BB_2040>. | 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_2040>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2040>. | **Token:** <BB_2040>
**SMILES:** CC1(C)OB(c2ccc(F)cc2)OC1(C)C
**Molecular Formula:** C12H16BFO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2041>. | NC(=O)c1ccnc(Cl)c1 | |
What is the building block token for the following molecule? | NC(=O)c1ccnc(Cl)c1 | <BB_2041> |
What is the molecular formula for <BB_2041>? | The molecular formula for <BB_2041> (NC(=O)c1ccnc(Cl)c1) is C6H5ClN2O. | |
Describe the ring structures in building block <BB_2041>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2041>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2041>. | **Token:** <BB_2041>
**SMILES:** NC(=O)c1ccnc(Cl)c1
**Molecular Formula:** C6H5ClN2O
**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_2042>. | CC(C)(C)OC(=O)N1CC(C=O)C2(COC2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(C=O)C2(COC2)C1 | <BB_2042> |
What is the molecular formula for <BB_2042>? | The molecular formula for <BB_2042> (CC(C)(C)OC(=O)N1CC(C=O)C2(COC2)C1) is C12H19NO4. | |
Describe the ring structures in building block <BB_2042>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2042>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2042>. | **Token:** <BB_2042>
**SMILES:** CC(C)(C)OC(=O)N1CC(C=O)C2(COC2)C1
**Molecular Formula:** C12H19NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2043>. | CC(C)(C)OC(=O)N1CCC(C)([B-](F)(F)F)CC1.[K+] | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(C)([B-](F)(F)F)CC1.[K+] | <BB_2043> |
What is the molecular formula for <BB_2043>? | The molecular formula for <BB_2043> (CC(C)(C)OC(=O)N1CCC(C)([B-](F)(F)F)CC1.[K+]) is C11H20BF3KNO2. | |
Describe the ring structures in building block <BB_2043>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2043>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2043>. | **Token:** <BB_2043>
**SMILES:** CC(C)(C)OC(=O)N1CCC(C)([B-](F)(F)F)CC1.[K+]
**Molecular Formula:** C11H20BF3KNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2044>. | Cc1ccc(CN)nc1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1ccc(CN)nc1.Cl.Cl | <BB_2044> |
What is the molecular formula for <BB_2044>? | The molecular formula for <BB_2044> (Cc1ccc(CN)nc1.Cl.Cl) is C7H12Cl2N2. | |
Describe the ring structures in building block <BB_2044>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2044>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2044>. | **Token:** <BB_2044>
**SMILES:** Cc1ccc(CN)nc1.Cl.Cl
**Molecular Formula:** C7H12Cl2N2
**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_2045>. | O=S(=O)(Cl)c1cnc2c(F)cccc2c1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cnc2c(F)cccc2c1 | <BB_2045> |
What is the molecular formula for <BB_2045>? | The molecular formula for <BB_2045> (O=S(=O)(Cl)c1cnc2c(F)cccc2c1) is C9H5ClFNO2S. | |
Describe the ring structures in building block <BB_2045>. | 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_2045>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2045>. | **Token:** <BB_2045>
**SMILES:** O=S(=O)(Cl)c1cnc2c(F)cccc2c1
**Molecular Formula:** C9H5ClFNO2S
**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_2046>. | FC(F)(F)c1cc2nc(Cl)ccn2n1 | |
What is the building block token for the following molecule? | FC(F)(F)c1cc2nc(Cl)ccn2n1 | <BB_2046> |
What is the molecular formula for <BB_2046>? | The molecular formula for <BB_2046> (FC(F)(F)c1cc2nc(Cl)ccn2n1) is C7H3ClF3N3. | |
Describe the ring structures in building block <BB_2046>. | 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_2046>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2046>. | **Token:** <BB_2046>
**SMILES:** FC(F)(F)c1cc2nc(Cl)ccn2n1
**Molecular Formula:** C7H3ClF3N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2047>. | CC1(C2CCC2)CNC1.Cl | |
What is the building block token for the following molecule? | CC1(C2CCC2)CNC1.Cl | <BB_2047> |
What is the molecular formula for <BB_2047>? | The molecular formula for <BB_2047> (CC1(C2CCC2)CNC1.Cl) is C8H16ClN. | |
Describe the ring structures in building block <BB_2047>. | 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_2047>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2047>. | **Token:** <BB_2047>
**SMILES:** CC1(C2CCC2)CNC1.Cl
**Molecular Formula:** C8H16ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2048>. | FC1(Br)CC1 | |
What is the building block token for the following molecule? | FC1(Br)CC1 | <BB_2048> |
What is the molecular formula for <BB_2048>? | The molecular formula for <BB_2048> (FC1(Br)CC1) is C3H4BrF. | |
Describe the ring structures in building block <BB_2048>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2048>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2048>. | **Token:** <BB_2048>
**SMILES:** FC1(Br)CC1
**Molecular Formula:** C3H4BrF
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2049>. | COC(=O)C1CCCCCCN1 | |
What is the building block token for the following molecule? | COC(=O)C1CCCCCCN1 | <BB_2049> |
What is the molecular formula for <BB_2049>? | The molecular formula for <BB_2049> (COC(=O)C1CCCCCCN1) is C9H17NO2. | |
Describe the ring structures in building block <BB_2049>. | The molecule contains 1 ring(s): an aliphatic ring of size 8. | |
List the primary functional groups present in <BB_2049>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2049>. | **Token:** <BB_2049>
**SMILES:** COC(=O)C1CCCCCCN1
**Molecular Formula:** C9H17NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 8.
**Functional Groups:** Secondary Amine, Ester, Ether |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.