instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_433>? | The molecular formula for <BB_433> (Nc1cccc(F)c1-c1nc[nH]n1) is C8H7FN4. | |
Describe the ring structures in building block <BB_433>. | 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_433>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_433>. | **Token:** <BB_433>
**SMILES:** Nc1cccc(F)c1-c1nc[nH]n1
**Molecular Formula:** C8H7FN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_434>. | COCCOCc1cccc(B(O)O)c1 | |
What is the building block token for the following molecule? | COCCOCc1cccc(B(O)O)c1 | <BB_434> |
What is the molecular formula for <BB_434>? | The molecular formula for <BB_434> (COCCOCc1cccc(B(O)O)c1) is C10H15BO4. | |
Describe the ring structures in building block <BB_434>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_434>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_434>. | **Token:** <BB_434>
**SMILES:** COCCOCc1cccc(B(O)O)c1
**Molecular Formula:** C10H15BO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_435>. | Ic1ccc(OCc2ccccn2)cc1 | |
What is the building block token for the following molecule? | Ic1ccc(OCc2ccccn2)cc1 | <BB_435> |
What is the molecular formula for <BB_435>? | The molecular formula for <BB_435> (Ic1ccc(OCc2ccccn2)cc1) is C12H10INO. | |
Describe the ring structures in building block <BB_435>. | 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_435>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_435>. | **Token:** <BB_435>
**SMILES:** Ic1ccc(OCc2ccccn2)cc1
**Molecular Formula:** C12H10INO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_436>. | CN1CC(CN)OC1=O.Cl | |
What is the building block token for the following molecule? | CN1CC(CN)OC1=O.Cl | <BB_436> |
What is the molecular formula for <BB_436>? | The molecular formula for <BB_436> (CN1CC(CN)OC1=O.Cl) is C5H11ClN2O2. | |
Describe the ring structures in building block <BB_436>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_436>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_436>. | **Token:** <BB_436>
**SMILES:** CN1CC(CN)OC1=O.Cl
**Molecular Formula:** C5H11ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_437>. | O=C(O)c1cnsc1Br | |
What is the building block token for the following molecule? | O=C(O)c1cnsc1Br | <BB_437> |
What is the molecular formula for <BB_437>? | The molecular formula for <BB_437> (O=C(O)c1cnsc1Br) is C4H2BrNO2S. | |
Describe the ring structures in building block <BB_437>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_437>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_437>. | **Token:** <BB_437>
**SMILES:** O=C(O)c1cnsc1Br
**Molecular Formula:** C4H2BrNO2S
**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_438>. | O=C(O)CSc1nncn1C1CC1 | |
What is the building block token for the following molecule? | O=C(O)CSc1nncn1C1CC1 | <BB_438> |
What is the molecular formula for <BB_438>? | The molecular formula for <BB_438> (O=C(O)CSc1nncn1C1CC1) is C7H9N3O2S. | |
Describe the ring structures in building block <BB_438>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_438>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_438>. | **Token:** <BB_438>
**SMILES:** O=C(O)CSc1nncn1C1CC1
**Molecular Formula:** C7H9N3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_439>. | O=C(O)Cn1ccc2cc(Br)ccc2c1=O | |
What is the building block token for the following molecule? | O=C(O)Cn1ccc2cc(Br)ccc2c1=O | <BB_439> |
What is the molecular formula for <BB_439>? | The molecular formula for <BB_439> (O=C(O)Cn1ccc2cc(Br)ccc2c1=O) is C11H8BrNO3. | |
Describe the ring structures in building block <BB_439>. | 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_439>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_439>. | **Token:** <BB_439>
**SMILES:** O=C(O)Cn1ccc2cc(Br)ccc2c1=O
**Molecular Formula:** C11H8BrNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_440>. | CN(Cc1ccccc1)C1CNC1.Cl.Cl | |
What is the building block token for the following molecule? | CN(Cc1ccccc1)C1CNC1.Cl.Cl | <BB_440> |
What is the molecular formula for <BB_440>? | The molecular formula for <BB_440> (CN(Cc1ccccc1)C1CNC1.Cl.Cl) is C11H18Cl2N2. | |
Describe the ring structures in building block <BB_440>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_440>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_440>. | **Token:** <BB_440>
**SMILES:** CN(Cc1ccccc1)C1CNC1.Cl.Cl
**Molecular Formula:** C11H18Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_441>. | O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl | <BB_441> |
What is the molecular formula for <BB_441>? | The molecular formula for <BB_441> (O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl) is C13H9ClO3S. | |
Describe the ring structures in building block <BB_441>. | 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_441>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_441>. | **Token:** <BB_441>
**SMILES:** O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl
**Molecular Formula:** C13H9ClO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_442>. | N#CC(O)c1ccc([N+](=O)[O-])cc1 | |
What is the building block token for the following molecule? | N#CC(O)c1ccc([N+](=O)[O-])cc1 | <BB_442> |
What is the molecular formula for <BB_442>? | The molecular formula for <BB_442> (N#CC(O)c1ccc([N+](=O)[O-])cc1) is C8H6N2O3. | |
Describe the ring structures in building block <BB_442>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_442>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Nitrile, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_442>. | **Token:** <BB_442>
**SMILES:** N#CC(O)c1ccc([N+](=O)[O-])cc1
**Molecular Formula:** C8H6N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Nitrile, Nitro | |
Provide the SMILES representation for the building block token <BB_443>. | N#CN1CCC(=O)CC1 | |
What is the building block token for the following molecule? | N#CN1CCC(=O)CC1 | <BB_443> |
What is the molecular formula for <BB_443>? | The molecular formula for <BB_443> (N#CN1CCC(=O)CC1) is C6H8N2O. | |
Describe the ring structures in building block <BB_443>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_443>. | The molecule contains the following groups: Tertiary Amine, Ketone, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_443>. | **Token:** <BB_443>
**SMILES:** N#CN1CCC(=O)CC1
**Molecular Formula:** C6H8N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone, Nitrile | |
Provide the SMILES representation for the building block token <BB_444>. | NS(=O)(=O)c1ccnc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1ccnc(C(F)(F)F)c1 | <BB_444> |
What is the molecular formula for <BB_444>? | The molecular formula for <BB_444> (NS(=O)(=O)c1ccnc(C(F)(F)F)c1) is C6H5F3N2O2S. | |
Describe the ring structures in building block <BB_444>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_444>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_444>. | **Token:** <BB_444>
**SMILES:** NS(=O)(=O)c1ccnc(C(F)(F)F)c1
**Molecular Formula:** C6H5F3N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_445>. | Clc1nc(C2CC2)nc2sc3c(c12)CCCC3 | |
What is the building block token for the following molecule? | Clc1nc(C2CC2)nc2sc3c(c12)CCCC3 | <BB_445> |
What is the molecular formula for <BB_445>? | The molecular formula for <BB_445> (Clc1nc(C2CC2)nc2sc3c(c12)CCCC3) is C13H13ClN2S. | |
Describe the ring structures in building block <BB_445>. | The molecule contains 4 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_445>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_445>. | **Token:** <BB_445>
**SMILES:** Clc1nc(C2CC2)nc2sc3c(c12)CCCC3
**Molecular Formula:** C13H13ClN2S
**Ring System:** The molecule contains 4 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_446>. | CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1 | <BB_446> |
What is the molecular formula for <BB_446>? | The molecular formula for <BB_446> (CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1) is C12H19NO3. | |
Describe the ring structures in building block <BB_446>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_446>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_446>. | **Token:** <BB_446>
**SMILES:** CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C12H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_447>. | CC(=O)Nc1cccc(OCCN)c1.Cl | |
What is the building block token for the following molecule? | CC(=O)Nc1cccc(OCCN)c1.Cl | <BB_447> |
What is the molecular formula for <BB_447>? | The molecular formula for <BB_447> (CC(=O)Nc1cccc(OCCN)c1.Cl) is C10H15ClN2O2. | |
Describe the ring structures in building block <BB_447>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_447>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_447>. | **Token:** <BB_447>
**SMILES:** CC(=O)Nc1cccc(OCCN)c1.Cl
**Molecular Formula:** C10H15ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_448>. | CCCCCCC1CCCNC1.Cl | |
What is the building block token for the following molecule? | CCCCCCC1CCCNC1.Cl | <BB_448> |
What is the molecular formula for <BB_448>? | The molecular formula for <BB_448> (CCCCCCC1CCCNC1.Cl) is C11H24ClN. | |
Describe the ring structures in building block <BB_448>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_448>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_448>. | **Token:** <BB_448>
**SMILES:** CCCCCCC1CCCNC1.Cl
**Molecular Formula:** C11H24ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_449>. | CC(C)CCCC(C)NC(=O)CCl | |
What is the building block token for the following molecule? | CC(C)CCCC(C)NC(=O)CCl | <BB_449> |
What is the molecular formula for <BB_449>? | The molecular formula for <BB_449> (CC(C)CCCC(C)NC(=O)CCl) is C10H20ClNO. | |
Describe the ring structures in building block <BB_449>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_449>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_449>. | **Token:** <BB_449>
**SMILES:** CC(C)CCCC(C)NC(=O)CCl
**Molecular Formula:** C10H20ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) |
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