instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9033>? | The molecular formula for <BB_9033> (O=Cc1c(F)c(Br)cc(Br)c1F) is C7H2Br2F2O. | |
Describe the ring structures in building block <BB_9033>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9033>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9033>. | **Token:** <BB_9033>
**SMILES:** O=Cc1c(F)c(Br)cc(Br)c1F
**Molecular Formula:** C7H2Br2F2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9034>. | COc1ccccc1OCc1csc(N)n1 | |
What is the building block token for the following molecule? | COc1ccccc1OCc1csc(N)n1 | <BB_9034> |
What is the molecular formula for <BB_9034>? | The molecular formula for <BB_9034> (COc1ccccc1OCc1csc(N)n1) is C11H12N2O2S. | |
Describe the ring structures in building block <BB_9034>. | 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_9034>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9034>. | **Token:** <BB_9034>
**SMILES:** COc1ccccc1OCc1csc(N)n1
**Molecular Formula:** C11H12N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9035>. | CC1(C(=O)O)CCOCC1 | |
What is the building block token for the following molecule? | CC1(C(=O)O)CCOCC1 | <BB_9035> |
What is the molecular formula for <BB_9035>? | The molecular formula for <BB_9035> (CC1(C(=O)O)CCOCC1) is C7H12O3. | |
Describe the ring structures in building block <BB_9035>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9035>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9035>. | **Token:** <BB_9035>
**SMILES:** CC1(C(=O)O)CCOCC1
**Molecular Formula:** C7H12O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9036>. | Cl.O=C(O)COCCN1CCOCC1 | |
What is the building block token for the following molecule? | Cl.O=C(O)COCCN1CCOCC1 | <BB_9036> |
What is the molecular formula for <BB_9036>? | The molecular formula for <BB_9036> (Cl.O=C(O)COCCN1CCOCC1) is C8H16ClNO4. | |
Describe the ring structures in building block <BB_9036>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9036>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9036>. | **Token:** <BB_9036>
**SMILES:** Cl.O=C(O)COCCN1CCOCC1
**Molecular Formula:** C8H16ClNO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9037>. | OCCCCCCCCCCCBr | |
What is the building block token for the following molecule? | OCCCCCCCCCCCBr | <BB_9037> |
What is the molecular formula for <BB_9037>? | The molecular formula for <BB_9037> (OCCCCCCCCCCCBr) is C11H23BrO. | |
Describe the ring structures in building block <BB_9037>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9037>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9037>. | **Token:** <BB_9037>
**SMILES:** OCCCCCCCCCCCBr
**Molecular Formula:** C11H23BrO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9038>. | CC(=O)Nc1cccc2ccccc12 | |
What is the building block token for the following molecule? | CC(=O)Nc1cccc2ccccc12 | <BB_9038> |
What is the molecular formula for <BB_9038>? | The molecular formula for <BB_9038> (CC(=O)Nc1cccc2ccccc12) is C12H11NO. | |
Describe the ring structures in building block <BB_9038>. | 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_9038>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9038>. | **Token:** <BB_9038>
**SMILES:** CC(=O)Nc1cccc2ccccc12
**Molecular Formula:** C12H11NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9039>. | COCCC1(c2nc(C(C)C)no2)CCNCC1.Cl | |
What is the building block token for the following molecule? | COCCC1(c2nc(C(C)C)no2)CCNCC1.Cl | <BB_9039> |
What is the molecular formula for <BB_9039>? | The molecular formula for <BB_9039> (COCCC1(c2nc(C(C)C)no2)CCNCC1.Cl) is C13H24ClN3O2. | |
Describe the ring structures in building block <BB_9039>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9039>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9039>. | **Token:** <BB_9039>
**SMILES:** COCCC1(c2nc(C(C)C)no2)CCNCC1.Cl
**Molecular Formula:** C13H24ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9040>. | CSCC1(N)CCOCC1 | |
What is the building block token for the following molecule? | CSCC1(N)CCOCC1 | <BB_9040> |
What is the molecular formula for <BB_9040>? | The molecular formula for <BB_9040> (CSCC1(N)CCOCC1) is C7H15NOS. | |
Describe the ring structures in building block <BB_9040>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9040>. | The molecule contains the following groups: Amine, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9040>. | **Token:** <BB_9040>
**SMILES:** CSCC1(N)CCOCC1
**Molecular Formula:** C7H15NOS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_9041>. | CCS(=O)(=O)CC(=O)O | |
What is the building block token for the following molecule? | CCS(=O)(=O)CC(=O)O | <BB_9041> |
What is the molecular formula for <BB_9041>? | The molecular formula for <BB_9041> (CCS(=O)(=O)CC(=O)O) is C4H8O4S. | |
Describe the ring structures in building block <BB_9041>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9041>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9041>. | **Token:** <BB_9041>
**SMILES:** CCS(=O)(=O)CC(=O)O
**Molecular Formula:** C4H8O4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9042>. | O=[N+]([O-])OCCCCBr | |
What is the building block token for the following molecule? | O=[N+]([O-])OCCCCBr | <BB_9042> |
What is the molecular formula for <BB_9042>? | The molecular formula for <BB_9042> (O=[N+]([O-])OCCCCBr) is C4H8BrNO3. | |
Describe the ring structures in building block <BB_9042>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9042>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9042>. | **Token:** <BB_9042>
**SMILES:** O=[N+]([O-])OCCCCBr
**Molecular Formula:** C4H8BrNO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9043>. | CCOC(=O)COc1ccc(OCCCl)cc1 | |
What is the building block token for the following molecule? | CCOC(=O)COc1ccc(OCCCl)cc1 | <BB_9043> |
What is the molecular formula for <BB_9043>? | The molecular formula for <BB_9043> (CCOC(=O)COc1ccc(OCCCl)cc1) is C12H15ClO4. | |
Describe the ring structures in building block <BB_9043>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9043>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9043>. | **Token:** <BB_9043>
**SMILES:** CCOC(=O)COc1ccc(OCCCl)cc1
**Molecular Formula:** C12H15ClO4
**Ring System:** The molecule contains 1 ring(s): 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_9044>. | Clc1ccccc1-c1cnn[nH]1 | |
What is the building block token for the following molecule? | Clc1ccccc1-c1cnn[nH]1 | <BB_9044> |
What is the molecular formula for <BB_9044>? | The molecular formula for <BB_9044> (Clc1ccccc1-c1cnn[nH]1) is C8H6ClN3. | |
Describe the ring structures in building block <BB_9044>. | 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_9044>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9044>. | **Token:** <BB_9044>
**SMILES:** Clc1ccccc1-c1cnn[nH]1
**Molecular Formula:** C8H6ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9045>. | FC(F)(F)c1cnc(CBr)c(Cl)c1 | |
What is the building block token for the following molecule? | FC(F)(F)c1cnc(CBr)c(Cl)c1 | <BB_9045> |
What is the molecular formula for <BB_9045>? | The molecular formula for <BB_9045> (FC(F)(F)c1cnc(CBr)c(Cl)c1) is C7H4BrClF3N. | |
Describe the ring structures in building block <BB_9045>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9045>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9045>. | **Token:** <BB_9045>
**SMILES:** FC(F)(F)c1cnc(CBr)c(Cl)c1
**Molecular Formula:** C7H4BrClF3N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9046>. | Cl.N#CCc1ccc(OCCN)cc1 | |
What is the building block token for the following molecule? | Cl.N#CCc1ccc(OCCN)cc1 | <BB_9046> |
What is the molecular formula for <BB_9046>? | The molecular formula for <BB_9046> (Cl.N#CCc1ccc(OCCN)cc1) is C10H13ClN2O. | |
Describe the ring structures in building block <BB_9046>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9046>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9046>. | **Token:** <BB_9046>
**SMILES:** Cl.N#CCc1ccc(OCCN)cc1
**Molecular Formula:** C10H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9047>. | Cc1ccc(CNc2nc(Cl)nc3nc[nH]c23)o1 | |
What is the building block token for the following molecule? | Cc1ccc(CNc2nc(Cl)nc3nc[nH]c23)o1 | <BB_9047> |
What is the molecular formula for <BB_9047>? | The molecular formula for <BB_9047> (Cc1ccc(CNc2nc(Cl)nc3nc[nH]c23)o1) is C11H10ClN5O. | |
Describe the ring structures in building block <BB_9047>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9047>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9047>. | **Token:** <BB_9047>
**SMILES:** Cc1ccc(CNc2nc(Cl)nc3nc[nH]c23)o1
**Molecular Formula:** C11H10ClN5O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9048>. | COc1c(Br)cc(Br)cc1C=O | |
What is the building block token for the following molecule? | COc1c(Br)cc(Br)cc1C=O | <BB_9048> |
What is the molecular formula for <BB_9048>? | The molecular formula for <BB_9048> (COc1c(Br)cc(Br)cc1C=O) is C8H6Br2O2. | |
Describe the ring structures in building block <BB_9048>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9048>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9048>. | **Token:** <BB_9048>
**SMILES:** COc1c(Br)cc(Br)cc1C=O
**Molecular Formula:** C8H6Br2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9049>. | C1CN[C@@H]2CCO[C@@H]2C1.Cl | |
What is the building block token for the following molecule? | C1CN[C@@H]2CCO[C@@H]2C1.Cl | <BB_9049> |
What is the molecular formula for <BB_9049>? | The molecular formula for <BB_9049> (C1CN[C@@H]2CCO[C@@H]2C1.Cl) is C7H14ClNO. | |
Describe the ring structures in building block <BB_9049>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9049>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9049>. | **Token:** <BB_9049>
**SMILES:** C1CN[C@@H]2CCO[C@@H]2C1.Cl
**Molecular Formula:** C7H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) |
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