instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_766>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_766>. | **Token:** <BB_766>
**SMILES:** Cc1ccc(CN=[N+]=[N-])cc1
**Molecular Formula:** C8H9N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_767>. | CCCCn1nccc1C(=O)OC | |
What is the building block token for the following molecule? | CCCCn1nccc1C(=O)OC | <BB_767> |
What is the molecular formula for <BB_767>? | The molecular formula for <BB_767> (CCCCn1nccc1C(=O)OC) is C9H14N2O2. | |
Describe the ring structures in building block <BB_767>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_767>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_767>. | **Token:** <BB_767>
**SMILES:** CCCCn1nccc1C(=O)OC
**Molecular Formula:** C9H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_768>. | Nc1ccc(Br)nc1N | |
What is the building block token for the following molecule? | Nc1ccc(Br)nc1N | <BB_768> |
What is the molecular formula for <BB_768>? | The molecular formula for <BB_768> (Nc1ccc(Br)nc1N) is C5H6BrN3. | |
Describe the ring structures in building block <BB_768>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_768>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_768>. | **Token:** <BB_768>
**SMILES:** Nc1ccc(Br)nc1N
**Molecular Formula:** C5H6BrN3
**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_769>. | CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-] | |
What is the building block token for the following molecule? | CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-] | <BB_769> |
What is the molecular formula for <BB_769>? | The molecular formula for <BB_769> (CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-]) is C9H16N2O3. | |
Describe the ring structures in building block <BB_769>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_769>. | The molecule contains the following groups: Tertiary Amine, Amide, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_769>. | **Token:** <BB_769>
**SMILES:** CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-]
**Molecular Formula:** C9H16N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Nitro | |
Provide the SMILES representation for the building block token <BB_770>. | Cl.NC1CCC(=O)N(C2CC2)C1=O | |
What is the building block token for the following molecule? | Cl.NC1CCC(=O)N(C2CC2)C1=O | <BB_770> |
What is the molecular formula for <BB_770>? | The molecular formula for <BB_770> (Cl.NC1CCC(=O)N(C2CC2)C1=O) is C8H13ClN2O2. | |
Describe the ring structures in building block <BB_770>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_770>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_770>. | **Token:** <BB_770>
**SMILES:** Cl.NC1CCC(=O)N(C2CC2)C1=O
**Molecular Formula:** C8H13ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_771>. | CC(C)CC(CO)NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CC(C)CC(CO)NC(=O)OC(C)(C)C | <BB_771> |
What is the molecular formula for <BB_771>? | The molecular formula for <BB_771> (CC(C)CC(CO)NC(=O)OC(C)(C)C) is C11H23NO3. | |
Describe the ring structures in building block <BB_771>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_771>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_771>. | **Token:** <BB_771>
**SMILES:** CC(C)CC(CO)NC(=O)OC(C)(C)C
**Molecular Formula:** C11H23NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_772>. | O=[N+]([O-])c1ccccc1-n1cccc1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccccc1-n1cccc1 | <BB_772> |
What is the molecular formula for <BB_772>? | The molecular formula for <BB_772> (O=[N+]([O-])c1ccccc1-n1cccc1) is C10H8N2O2. | |
Describe the ring structures in building block <BB_772>. | 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_772>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_772>. | **Token:** <BB_772>
**SMILES:** O=[N+]([O-])c1ccccc1-n1cccc1
**Molecular Formula:** C10H8N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_773>. | NC(=NO)C1CCCc2ccccc21 | |
What is the building block token for the following molecule? | NC(=NO)C1CCCc2ccccc21 | <BB_773> |
What is the molecular formula for <BB_773>? | The molecular formula for <BB_773> (NC(=NO)C1CCCc2ccccc21) is C11H14N2O. | |
Describe the ring structures in building block <BB_773>. | 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_773>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_773>. | **Token:** <BB_773>
**SMILES:** NC(=NO)C1CCCc2ccccc21
**Molecular Formula:** C11H14N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_774>. | Cc1nc(NC(=N)N)nc2ccccc12.Cl | |
What is the building block token for the following molecule? | Cc1nc(NC(=N)N)nc2ccccc12.Cl | <BB_774> |
What is the molecular formula for <BB_774>? | The molecular formula for <BB_774> (Cc1nc(NC(=N)N)nc2ccccc12.Cl) is C10H12ClN5. | |
Describe the ring structures in building block <BB_774>. | 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_774>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_774>. | **Token:** <BB_774>
**SMILES:** Cc1nc(NC(=N)N)nc2ccccc12.Cl
**Molecular Formula:** C10H12ClN5
**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, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_775>. | Cc1cc(F)ccc1C(C)Br | |
What is the building block token for the following molecule? | Cc1cc(F)ccc1C(C)Br | <BB_775> |
What is the molecular formula for <BB_775>? | The molecular formula for <BB_775> (Cc1cc(F)ccc1C(C)Br) is C9H10BrF. | |
Describe the ring structures in building block <BB_775>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_775>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_775>. | **Token:** <BB_775>
**SMILES:** Cc1cc(F)ccc1C(C)Br
**Molecular Formula:** C9H10BrF
**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_776>. | C=CC(=O)ON=C(N)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | C=CC(=O)ON=C(N)c1ccc(Cl)cc1 | <BB_776> |
What is the molecular formula for <BB_776>? | The molecular formula for <BB_776> (C=CC(=O)ON=C(N)c1ccc(Cl)cc1) is C10H9ClN2O2. | |
Describe the ring structures in building block <BB_776>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_776>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_776>. | **Token:** <BB_776>
**SMILES:** C=CC(=O)ON=C(N)c1ccc(Cl)cc1
**Molecular Formula:** C10H9ClN2O2
**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_777>. | Clc1cnc(-n2cccc2)nc1 | |
What is the building block token for the following molecule? | Clc1cnc(-n2cccc2)nc1 | <BB_777> |
What is the molecular formula for <BB_777>? | The molecular formula for <BB_777> (Clc1cnc(-n2cccc2)nc1) is C8H6ClN3. | |
Describe the ring structures in building block <BB_777>. | 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_777>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_777>. | **Token:** <BB_777>
**SMILES:** Clc1cnc(-n2cccc2)nc1
**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_778>. | COc1cc(N)ccc1OC(F)F | |
What is the building block token for the following molecule? | COc1cc(N)ccc1OC(F)F | <BB_778> |
What is the molecular formula for <BB_778>? | The molecular formula for <BB_778> (COc1cc(N)ccc1OC(F)F) is C8H9F2NO2. | |
Describe the ring structures in building block <BB_778>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_778>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_778>. | **Token:** <BB_778>
**SMILES:** COc1cc(N)ccc1OC(F)F
**Molecular Formula:** C8H9F2NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_779>. | Cl.NCC1(CO)CCCOC1 | |
What is the building block token for the following molecule? | Cl.NCC1(CO)CCCOC1 | <BB_779> |
What is the molecular formula for <BB_779>? | The molecular formula for <BB_779> (Cl.NCC1(CO)CCCOC1) is C7H16ClNO2. | |
Describe the ring structures in building block <BB_779>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_779>. | The molecule contains the following groups: Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_779>. | **Token:** <BB_779>
**SMILES:** Cl.NCC1(CO)CCCOC1
**Molecular Formula:** C7H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_780>. | CSC(C)(C)CO | |
What is the building block token for the following molecule? | CSC(C)(C)CO | <BB_780> |
What is the molecular formula for <BB_780>? | The molecular formula for <BB_780> (CSC(C)(C)CO) is C5H12OS. | |
Describe the ring structures in building block <BB_780>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_780>. | The molecule contains the following groups: Alcohol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_780>. | **Token:** <BB_780>
**SMILES:** CSC(C)(C)CO
**Molecular Formula:** C5H12OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Sulfide | |
Provide the SMILES representation for the building block token <BB_781>. | Cl.Cl.Clc1cc2c(cn1)CC1(CNC1)O2 | |
What is the building block token for the following molecule? | Cl.Cl.Clc1cc2c(cn1)CC1(CNC1)O2 | <BB_781> |
What is the molecular formula for <BB_781>? | The molecular formula for <BB_781> (Cl.Cl.Clc1cc2c(cn1)CC1(CNC1)O2) is C9H11Cl3N2O. | |
Describe the ring structures in building block <BB_781>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_781>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_781>. | **Token:** <BB_781>
**SMILES:** Cl.Cl.Clc1cc2c(cn1)CC1(CNC1)O2
**Molecular Formula:** C9H11Cl3N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_782>. | CC(N)c1ccc(C(F)F)cc1.Cl | |
What is the building block token for the following molecule? | CC(N)c1ccc(C(F)F)cc1.Cl | <BB_782> |
What is the molecular formula for <BB_782>? | The molecular formula for <BB_782> (CC(N)c1ccc(C(F)F)cc1.Cl) is C9H12ClF2N. | |
Describe the ring structures in building block <BB_782>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_782>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_782>. | **Token:** <BB_782>
**SMILES:** CC(N)c1ccc(C(F)F)cc1.Cl
**Molecular Formula:** C9H12ClF2N
**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_783>. | CNc1ccc2cc(C(=O)OC)ccc2c1 | |
What is the building block token for the following molecule? | CNc1ccc2cc(C(=O)OC)ccc2c1 | <BB_783> |
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