instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1750>. | COCc1cc(C)[nH]n1 | |
What is the building block token for the following molecule? | COCc1cc(C)[nH]n1 | <BB_1750> |
What is the molecular formula for <BB_1750>? | The molecular formula for <BB_1750> (COCc1cc(C)[nH]n1) is C6H10N2O. | |
Describe the ring structures in building block <BB_1750>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1750>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1750>. | **Token:** <BB_1750>
**SMILES:** COCc1cc(C)[nH]n1
**Molecular Formula:** C6H10N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1751>. | O=S(=O)(Cl)c1cnc2c(Br)cccn12 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cnc2c(Br)cccn12 | <BB_1751> |
What is the molecular formula for <BB_1751>? | The molecular formula for <BB_1751> (O=S(=O)(Cl)c1cnc2c(Br)cccn12) is C7H4BrClN2O2S. | |
Describe the ring structures in building block <BB_1751>. | 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_1751>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1751>. | **Token:** <BB_1751>
**SMILES:** O=S(=O)(Cl)c1cnc2c(Br)cccn12
**Molecular Formula:** C7H4BrClN2O2S
**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_1752>. | N#CC(F)(F)c1ccccn1 | |
What is the building block token for the following molecule? | N#CC(F)(F)c1ccccn1 | <BB_1752> |
What is the molecular formula for <BB_1752>? | The molecular formula for <BB_1752> (N#CC(F)(F)c1ccccn1) is C7H4F2N2. | |
Describe the ring structures in building block <BB_1752>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1752>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1752>. | **Token:** <BB_1752>
**SMILES:** N#CC(F)(F)c1ccccn1
**Molecular Formula:** C7H4F2N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1753>. | Cc1ccc2c(c1)CNC2=O | |
What is the building block token for the following molecule? | Cc1ccc2c(c1)CNC2=O | <BB_1753> |
What is the molecular formula for <BB_1753>? | The molecular formula for <BB_1753> (Cc1ccc2c(c1)CNC2=O) is C9H9NO. | |
Describe the ring structures in building block <BB_1753>. | 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_1753>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1753>. | **Token:** <BB_1753>
**SMILES:** Cc1ccc2c(c1)CNC2=O
**Molecular Formula:** C9H9NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1754>. | COCCOC(=O)c1c(N)sc(C(N)=O)c1C | |
What is the building block token for the following molecule? | COCCOC(=O)c1c(N)sc(C(N)=O)c1C | <BB_1754> |
What is the molecular formula for <BB_1754>? | The molecular formula for <BB_1754> (COCCOC(=O)c1c(N)sc(C(N)=O)c1C) is C10H14N2O4S. | |
Describe the ring structures in building block <BB_1754>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1754>. | The molecule contains the following groups: Amine, Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1754>. | **Token:** <BB_1754>
**SMILES:** COCCOC(=O)c1c(N)sc(C(N)=O)c1C
**Molecular Formula:** C10H14N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1755>. | COc1ccc(CC2CCCN2)cc1OC.Cl | |
What is the building block token for the following molecule? | COc1ccc(CC2CCCN2)cc1OC.Cl | <BB_1755> |
What is the molecular formula for <BB_1755>? | The molecular formula for <BB_1755> (COc1ccc(CC2CCCN2)cc1OC.Cl) is C13H20ClNO2. | |
Describe the ring structures in building block <BB_1755>. | 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_1755>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1755>. | **Token:** <BB_1755>
**SMILES:** COc1ccc(CC2CCCN2)cc1OC.Cl
**Molecular Formula:** C13H20ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1756>. | COC(=O)c1ccc2c(CBr)csc2c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc2c(CBr)csc2c1 | <BB_1756> |
What is the molecular formula for <BB_1756>? | The molecular formula for <BB_1756> (COC(=O)c1ccc2c(CBr)csc2c1) is C11H9BrO2S. | |
Describe the ring structures in building block <BB_1756>. | 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_1756>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1756>. | **Token:** <BB_1756>
**SMILES:** COC(=O)c1ccc2c(CBr)csc2c1
**Molecular Formula:** C11H9BrO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1757>. | CC(C)(C)OC(=O)Nc1ccc(CC(N)=S)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1ccc(CC(N)=S)cc1 | <BB_1757> |
What is the molecular formula for <BB_1757>? | The molecular formula for <BB_1757> (CC(C)(C)OC(=O)Nc1ccc(CC(N)=S)cc1) is C13H18N2O2S. | |
Describe the ring structures in building block <BB_1757>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1757>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1757>. | **Token:** <BB_1757>
**SMILES:** CC(C)(C)OC(=O)Nc1ccc(CC(N)=S)cc1
**Molecular Formula:** C13H18N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1758>. | CCOC(=O)C(C)N(C)Cc1ccccc1 | |
What is the building block token for the following molecule? | CCOC(=O)C(C)N(C)Cc1ccccc1 | <BB_1758> |
What is the molecular formula for <BB_1758>? | The molecular formula for <BB_1758> (CCOC(=O)C(C)N(C)Cc1ccccc1) is C13H19NO2. | |
Describe the ring structures in building block <BB_1758>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1758>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1758>. | **Token:** <BB_1758>
**SMILES:** CCOC(=O)C(C)N(C)Cc1ccccc1
**Molecular Formula:** C13H19NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1759>. | CC1CCC(C)(C)CN1.Cl | |
What is the building block token for the following molecule? | CC1CCC(C)(C)CN1.Cl | <BB_1759> |
What is the molecular formula for <BB_1759>? | The molecular formula for <BB_1759> (CC1CCC(C)(C)CN1.Cl) is C8H18ClN. | |
Describe the ring structures in building block <BB_1759>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1759>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1759>. | **Token:** <BB_1759>
**SMILES:** CC1CCC(C)(C)CN1.Cl
**Molecular Formula:** C8H18ClN
**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_1760>. | O=C=NC1CC(=O)C1 | |
What is the building block token for the following molecule? | O=C=NC1CC(=O)C1 | <BB_1760> |
What is the molecular formula for <BB_1760>? | The molecular formula for <BB_1760> (O=C=NC1CC(=O)C1) is C5H5NO2. | |
Describe the ring structures in building block <BB_1760>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1760>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1760>. | **Token:** <BB_1760>
**SMILES:** O=C=NC1CC(=O)C1
**Molecular Formula:** C5H5NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1761>. | Cc1cc(C2CNCC2(C)C)[nH]n1.Cl | |
What is the building block token for the following molecule? | Cc1cc(C2CNCC2(C)C)[nH]n1.Cl | <BB_1761> |
What is the molecular formula for <BB_1761>? | The molecular formula for <BB_1761> (Cc1cc(C2CNCC2(C)C)[nH]n1.Cl) is C10H18ClN3. | |
Describe the ring structures in building block <BB_1761>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1761>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1761>. | **Token:** <BB_1761>
**SMILES:** Cc1cc(C2CNCC2(C)C)[nH]n1.Cl
**Molecular Formula:** C10H18ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1762>. | Cn1cnc(CC(=O)[O-])n1.[Na+] | |
What is the building block token for the following molecule? | Cn1cnc(CC(=O)[O-])n1.[Na+] | <BB_1762> |
What is the molecular formula for <BB_1762>? | The molecular formula for <BB_1762> (Cn1cnc(CC(=O)[O-])n1.[Na+]) is C5H6N3NaO2. | |
Describe the ring structures in building block <BB_1762>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1762>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1762>. | **Token:** <BB_1762>
**SMILES:** Cn1cnc(CC(=O)[O-])n1.[Na+]
**Molecular Formula:** C5H6N3NaO2
**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_1763>. | OCc1nc(-c2cccc(Cl)c2)no1 | |
What is the building block token for the following molecule? | OCc1nc(-c2cccc(Cl)c2)no1 | <BB_1763> |
What is the molecular formula for <BB_1763>? | The molecular formula for <BB_1763> (OCc1nc(-c2cccc(Cl)c2)no1) is C9H7ClN2O2. | |
Describe the ring structures in building block <BB_1763>. | 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_1763>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1763>. | **Token:** <BB_1763>
**SMILES:** OCc1nc(-c2cccc(Cl)c2)no1
**Molecular Formula:** C9H7ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1764>. | Cc1cc(C)n2nc(C(F)(F)F)nc2n1 | |
What is the building block token for the following molecule? | Cc1cc(C)n2nc(C(F)(F)F)nc2n1 | <BB_1764> |
What is the molecular formula for <BB_1764>? | The molecular formula for <BB_1764> (Cc1cc(C)n2nc(C(F)(F)F)nc2n1) is C8H7F3N4. | |
Describe the ring structures in building block <BB_1764>. | 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_1764>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1764>. | **Token:** <BB_1764>
**SMILES:** Cc1cc(C)n2nc(C(F)(F)F)nc2n1
**Molecular Formula:** C8H7F3N4
**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_1765>. | Cc1nc2nc(Br)sc2c(C)c1C | |
What is the building block token for the following molecule? | Cc1nc2nc(Br)sc2c(C)c1C | <BB_1765> |
What is the molecular formula for <BB_1765>? | The molecular formula for <BB_1765> (Cc1nc2nc(Br)sc2c(C)c1C) is C9H9BrN2S. | |
Describe the ring structures in building block <BB_1765>. | 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_1765>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1765>. | **Token:** <BB_1765>
**SMILES:** Cc1nc2nc(Br)sc2c(C)c1C
**Molecular Formula:** C9H9BrN2S
**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_1766>. | NC(C(=O)O)c1ccc(C(F)(F)F)cc1 | |
What is the building block token for the following molecule? | NC(C(=O)O)c1ccc(C(F)(F)F)cc1 | <BB_1766> |
What is the molecular formula for <BB_1766>? | The molecular formula for <BB_1766> (NC(C(=O)O)c1ccc(C(F)(F)F)cc1) is C9H8F3NO2. | |
Describe the ring structures in building block <BB_1766>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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