instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9266>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9266>. | **Token:** <BB_9266>
**SMILES:** O=C1CCc2cc(Cl)ccc2N1
**Molecular Formula:** C9H8ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9267>. | Br[C@H]1CC=C[C@H]2C=C[C@@H]1C2 | |
What is the building block token for the following molecule? | Br[C@H]1CC=C[C@H]2C=C[C@@H]1C2 | <BB_9267> |
What is the molecular formula for <BB_9267>? | The molecular formula for <BB_9267> (Br[C@H]1CC=C[C@H]2C=C[C@@H]1C2) is C9H11Br. | |
Describe the ring structures in building block <BB_9267>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9267>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9267>. | **Token:** <BB_9267>
**SMILES:** Br[C@H]1CC=C[C@H]2C=C[C@@H]1C2
**Molecular Formula:** C9H11Br
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9268>. | CCCn1ncc(C=O)c1C | |
What is the building block token for the following molecule? | CCCn1ncc(C=O)c1C | <BB_9268> |
What is the molecular formula for <BB_9268>? | The molecular formula for <BB_9268> (CCCn1ncc(C=O)c1C) is C8H12N2O. | |
Describe the ring structures in building block <BB_9268>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9268>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9268>. | **Token:** <BB_9268>
**SMILES:** CCCn1ncc(C=O)c1C
**Molecular Formula:** C8H12N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9269>. | COc1ccc(Cl)c(C)c1C(=O)O | |
What is the building block token for the following molecule? | COc1ccc(Cl)c(C)c1C(=O)O | <BB_9269> |
What is the molecular formula for <BB_9269>? | The molecular formula for <BB_9269> (COc1ccc(Cl)c(C)c1C(=O)O) is C9H9ClO3. | |
Describe the ring structures in building block <BB_9269>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9269>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9269>. | **Token:** <BB_9269>
**SMILES:** COc1ccc(Cl)c(C)c1C(=O)O
**Molecular Formula:** C9H9ClO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9270>. | Cc1nc(Br)cn1CC(=O)O.Cl | |
What is the building block token for the following molecule? | Cc1nc(Br)cn1CC(=O)O.Cl | <BB_9270> |
What is the molecular formula for <BB_9270>? | The molecular formula for <BB_9270> (Cc1nc(Br)cn1CC(=O)O.Cl) is C6H8BrClN2O2. | |
Describe the ring structures in building block <BB_9270>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9270>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9270>. | **Token:** <BB_9270>
**SMILES:** Cc1nc(Br)cn1CC(=O)O.Cl
**Molecular Formula:** C6H8BrClN2O2
**Ring System:** The molecule contains 1 ring(s): 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_9271>. | CCc1noc(C)c1CCl | |
What is the building block token for the following molecule? | CCc1noc(C)c1CCl | <BB_9271> |
What is the molecular formula for <BB_9271>? | The molecular formula for <BB_9271> (CCc1noc(C)c1CCl) is C7H10ClNO. | |
Describe the ring structures in building block <BB_9271>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9271>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9271>. | **Token:** <BB_9271>
**SMILES:** CCc1noc(C)c1CCl
**Molecular Formula:** C7H10ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9272>. | CC(C)(C)OC(=O)NCC/C=C/C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCC/C=C/C(=O)O | <BB_9272> |
What is the molecular formula for <BB_9272>? | The molecular formula for <BB_9272> (CC(C)(C)OC(=O)NCC/C=C/C(=O)O) is C10H17NO4. | |
Describe the ring structures in building block <BB_9272>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9272>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9272>. | **Token:** <BB_9272>
**SMILES:** CC(C)(C)OC(=O)NCC/C=C/C(=O)O
**Molecular Formula:** C10H17NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9273>. | COC(=O)[C@]1(O)CCNC[C@H]1O.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@]1(O)CCNC[C@H]1O.Cl | <BB_9273> |
What is the molecular formula for <BB_9273>? | The molecular formula for <BB_9273> (COC(=O)[C@]1(O)CCNC[C@H]1O.Cl) is C7H14ClNO4. | |
Describe the ring structures in building block <BB_9273>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9273>. | The molecule contains the following groups: Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9273>. | **Token:** <BB_9273>
**SMILES:** COC(=O)[C@]1(O)CCNC[C@H]1O.Cl
**Molecular Formula:** C7H14ClNO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9274>. | COc1ccc(CN)c2ccccc12 | |
What is the building block token for the following molecule? | COc1ccc(CN)c2ccccc12 | <BB_9274> |
What is the molecular formula for <BB_9274>? | The molecular formula for <BB_9274> (COc1ccc(CN)c2ccccc12) is C12H13NO. | |
Describe the ring structures in building block <BB_9274>. | 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_9274>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9274>. | **Token:** <BB_9274>
**SMILES:** COc1ccc(CN)c2ccccc12
**Molecular Formula:** C12H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9275>. | CCC(N)C(=O)c1cccc(C)c1.Cl | |
What is the building block token for the following molecule? | CCC(N)C(=O)c1cccc(C)c1.Cl | <BB_9275> |
What is the molecular formula for <BB_9275>? | The molecular formula for <BB_9275> (CCC(N)C(=O)c1cccc(C)c1.Cl) is C11H16ClNO. | |
Describe the ring structures in building block <BB_9275>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9275>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9275>. | **Token:** <BB_9275>
**SMILES:** CCC(N)C(=O)c1cccc(C)c1.Cl
**Molecular Formula:** C11H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9276>. | CC(=O)N1CCCC(CNS(C)(=O)=O)C1 | |
What is the building block token for the following molecule? | CC(=O)N1CCCC(CNS(C)(=O)=O)C1 | <BB_9276> |
What is the molecular formula for <BB_9276>? | The molecular formula for <BB_9276> (CC(=O)N1CCCC(CNS(C)(=O)=O)C1) is C9H18N2O3S. | |
Describe the ring structures in building block <BB_9276>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9276>. | The molecule contains the following groups: Secondary Amine, Amide, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9276>. | **Token:** <BB_9276>
**SMILES:** CC(=O)N1CCCC(CNS(C)(=O)=O)C1
**Molecular Formula:** C9H18N2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9277>. | Cc1ccc2c(c1)C(N)C(=O)N2C.Cl.Cl | |
What is the building block token for the following molecule? | Cc1ccc2c(c1)C(N)C(=O)N2C.Cl.Cl | <BB_9277> |
What is the molecular formula for <BB_9277>? | The molecular formula for <BB_9277> (Cc1ccc2c(c1)C(N)C(=O)N2C.Cl.Cl) is C10H14Cl2N2O. | |
Describe the ring structures in building block <BB_9277>. | 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_9277>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9277>. | **Token:** <BB_9277>
**SMILES:** Cc1ccc2c(c1)C(N)C(=O)N2C.Cl.Cl
**Molecular Formula:** C10H14Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9278>. | CN1CCCNC2(CC2)C1 | |
What is the building block token for the following molecule? | CN1CCCNC2(CC2)C1 | <BB_9278> |
What is the molecular formula for <BB_9278>? | The molecular formula for <BB_9278> (CN1CCCNC2(CC2)C1) is C8H16N2. | |
Describe the ring structures in building block <BB_9278>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9278>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9278>. | **Token:** <BB_9278>
**SMILES:** CN1CCCNC2(CC2)C1
**Molecular Formula:** C8H16N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9279>. | CC(C)(C)COS(=O)(=O)Cl | |
What is the building block token for the following molecule? | CC(C)(C)COS(=O)(=O)Cl | <BB_9279> |
What is the molecular formula for <BB_9279>? | The molecular formula for <BB_9279> (CC(C)(C)COS(=O)(=O)Cl) is C5H11ClO3S. | |
Describe the ring structures in building block <BB_9279>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9279>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9279>. | **Token:** <BB_9279>
**SMILES:** CC(C)(C)COS(=O)(=O)Cl
**Molecular Formula:** C5H11ClO3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9280>. | Cl.Cl.NCCNC1CC(=O)NC1=O | |
What is the building block token for the following molecule? | Cl.Cl.NCCNC1CC(=O)NC1=O | <BB_9280> |
What is the molecular formula for <BB_9280>? | The molecular formula for <BB_9280> (Cl.Cl.NCCNC1CC(=O)NC1=O) is C6H13Cl2N3O2. | |
Describe the ring structures in building block <BB_9280>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9280>. | The molecule contains the following groups: Amine, Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9280>. | **Token:** <BB_9280>
**SMILES:** Cl.Cl.NCCNC1CC(=O)NC1=O
**Molecular Formula:** C6H13Cl2N3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9281>. | COC(=O)C1(C)CNC(C)(C)CO1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1(C)CNC(C)(C)CO1.Cl | <BB_9281> |
What is the molecular formula for <BB_9281>? | The molecular formula for <BB_9281> (COC(=O)C1(C)CNC(C)(C)CO1.Cl) is C9H18ClNO3. | |
Describe the ring structures in building block <BB_9281>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9281>. | 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_9281>. | **Token:** <BB_9281>
**SMILES:** COC(=O)C1(C)CNC(C)(C)CO1.Cl
**Molecular Formula:** C9H18ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic 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_9282>. | CC(C)(C)OC(=O)N1CC(C)(N2CCCC2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(C)(N2CCCC2)C1 | <BB_9282> |
What is the molecular formula for <BB_9282>? | The molecular formula for <BB_9282> (CC(C)(C)OC(=O)N1CC(C)(N2CCCC2)C1) is C13H24N2O2. | |
Describe the ring structures in building block <BB_9282>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9282>. | The molecule contains the following groups: Tertiary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9282>. | **Token:** <BB_9282>
**SMILES:** CC(C)(C)OC(=O)N1CC(C)(N2CCCC2)C1
**Molecular Formula:** C13H24N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9283>. | O=C(O)c1cccc(-n2cnnc2)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cccc(-n2cnnc2)c1 | <BB_9283> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.