instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2000>. | Clc1cccc(C#CCBr)c1 | |
What is the building block token for the following molecule? | Clc1cccc(C#CCBr)c1 | <BB_2000> |
What is the molecular formula for <BB_2000>? | The molecular formula for <BB_2000> (Clc1cccc(C#CCBr)c1) is C9H6BrCl. | |
Describe the ring structures in building block <BB_2000>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2000>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2000>. | **Token:** <BB_2000>
**SMILES:** Clc1cccc(C#CCBr)c1
**Molecular Formula:** C9H6BrCl
**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_2001>. | O=C1CC(c2ccccc2)=NN1c1ccccn1 | |
What is the building block token for the following molecule? | O=C1CC(c2ccccc2)=NN1c1ccccn1 | <BB_2001> |
What is the molecular formula for <BB_2001>? | The molecular formula for <BB_2001> (O=C1CC(c2ccccc2)=NN1c1ccccn1) is C14H11N3O. | |
Describe the ring structures in building block <BB_2001>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2001>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2001>. | **Token:** <BB_2001>
**SMILES:** O=C1CC(c2ccccc2)=NN1c1ccccn1
**Molecular Formula:** C14H11N3O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, 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_2002>. | Cc1cc(C=O)c(C)cc1I | |
What is the building block token for the following molecule? | Cc1cc(C=O)c(C)cc1I | <BB_2002> |
What is the molecular formula for <BB_2002>? | The molecular formula for <BB_2002> (Cc1cc(C=O)c(C)cc1I) is C9H9IO. | |
Describe the ring structures in building block <BB_2002>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2002>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2002>. | **Token:** <BB_2002>
**SMILES:** Cc1cc(C=O)c(C)cc1I
**Molecular Formula:** C9H9IO
**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_2003>. | FC(Cl)C(F)(F)Oc1cccnc1Cl | |
What is the building block token for the following molecule? | FC(Cl)C(F)(F)Oc1cccnc1Cl | <BB_2003> |
What is the molecular formula for <BB_2003>? | The molecular formula for <BB_2003> (FC(Cl)C(F)(F)Oc1cccnc1Cl) is C7H4Cl2F3NO. | |
Describe the ring structures in building block <BB_2003>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2003>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2003>. | **Token:** <BB_2003>
**SMILES:** FC(Cl)C(F)(F)Oc1cccnc1Cl
**Molecular Formula:** C7H4Cl2F3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2004>. | Cl.Cl.Nc1c[nH]c(=O)nc1N | |
What is the building block token for the following molecule? | Cl.Cl.Nc1c[nH]c(=O)nc1N | <BB_2004> |
What is the molecular formula for <BB_2004>? | The molecular formula for <BB_2004> (Cl.Cl.Nc1c[nH]c(=O)nc1N) is C4H8Cl2N4O. | |
Describe the ring structures in building block <BB_2004>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2004>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2004>. | **Token:** <BB_2004>
**SMILES:** Cl.Cl.Nc1c[nH]c(=O)nc1N
**Molecular Formula:** C4H8Cl2N4O
**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_2005>. | CNC(C)c1cccnc1N | |
What is the building block token for the following molecule? | CNC(C)c1cccnc1N | <BB_2005> |
What is the molecular formula for <BB_2005>? | The molecular formula for <BB_2005> (CNC(C)c1cccnc1N) is C8H13N3. | |
Describe the ring structures in building block <BB_2005>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2005>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2005>. | **Token:** <BB_2005>
**SMILES:** CNC(C)c1cccnc1N
**Molecular Formula:** C8H13N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2006>. | N#Cc1cccc(C(=O)O)c1Br | |
What is the building block token for the following molecule? | N#Cc1cccc(C(=O)O)c1Br | <BB_2006> |
What is the molecular formula for <BB_2006>? | The molecular formula for <BB_2006> (N#Cc1cccc(C(=O)O)c1Br) is C8H4BrNO2. | |
Describe the ring structures in building block <BB_2006>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2006>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2006>. | **Token:** <BB_2006>
**SMILES:** N#Cc1cccc(C(=O)O)c1Br
**Molecular Formula:** C8H4BrNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2007>. | Cl.OC(C(F)F)C1CCCN1 | |
What is the building block token for the following molecule? | Cl.OC(C(F)F)C1CCCN1 | <BB_2007> |
What is the molecular formula for <BB_2007>? | The molecular formula for <BB_2007> (Cl.OC(C(F)F)C1CCCN1) is C6H12ClF2NO. | |
Describe the ring structures in building block <BB_2007>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2007>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2007>. | **Token:** <BB_2007>
**SMILES:** Cl.OC(C(F)F)C1CCCN1
**Molecular Formula:** C6H12ClF2NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2008>. | Cc1nn(-c2ccc(F)cc2)c2[nH]nc(N)c12 | |
What is the building block token for the following molecule? | Cc1nn(-c2ccc(F)cc2)c2[nH]nc(N)c12 | <BB_2008> |
What is the molecular formula for <BB_2008>? | The molecular formula for <BB_2008> (Cc1nn(-c2ccc(F)cc2)c2[nH]nc(N)c12) is C11H10FN5. | |
Describe the ring structures in building block <BB_2008>. | 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_2008>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2008>. | **Token:** <BB_2008>
**SMILES:** Cc1nn(-c2ccc(F)cc2)c2[nH]nc(N)c12
**Molecular Formula:** C11H10FN5
**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:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2009>. | O=C(O)CCCN1C(=O)NC2(CCCC2)C1=O | |
What is the building block token for the following molecule? | O=C(O)CCCN1C(=O)NC2(CCCC2)C1=O | <BB_2009> |
What is the molecular formula for <BB_2009>? | The molecular formula for <BB_2009> (O=C(O)CCCN1C(=O)NC2(CCCC2)C1=O) is C11H16N2O4. | |
Describe the ring structures in building block <BB_2009>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2009>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2009>. | **Token:** <BB_2009>
**SMILES:** O=C(O)CCCN1C(=O)NC2(CCCC2)C1=O
**Molecular Formula:** C11H16N2O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2010>. | OCCC1CCCSC1 | |
What is the building block token for the following molecule? | OCCC1CCCSC1 | <BB_2010> |
What is the molecular formula for <BB_2010>? | The molecular formula for <BB_2010> (OCCC1CCCSC1) is C7H14OS. | |
Describe the ring structures in building block <BB_2010>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2010>. | The molecule contains the following groups: Alcohol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2010>. | **Token:** <BB_2010>
**SMILES:** OCCC1CCCSC1
**Molecular Formula:** C7H14OS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Sulfide | |
Provide the SMILES representation for the building block token <BB_2011>. | CC(C)(F)c1ccccc1CBr | |
What is the building block token for the following molecule? | CC(C)(F)c1ccccc1CBr | <BB_2011> |
What is the molecular formula for <BB_2011>? | The molecular formula for <BB_2011> (CC(C)(F)c1ccccc1CBr) is C10H12BrF. | |
Describe the ring structures in building block <BB_2011>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2011>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2011>. | **Token:** <BB_2011>
**SMILES:** CC(C)(F)c1ccccc1CBr
**Molecular Formula:** C10H12BrF
**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_2012>. | Nc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1 | |
What is the building block token for the following molecule? | Nc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1 | <BB_2012> |
What is the molecular formula for <BB_2012>? | The molecular formula for <BB_2012> (Nc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1) is C9H4F5N3. | |
Describe the ring structures in building block <BB_2012>. | 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_2012>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2012>. | **Token:** <BB_2012>
**SMILES:** Nc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1
**Molecular Formula:** C9H4F5N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2013>. | Cc1cc(CN)nnc1C.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cc(CN)nnc1C.Cl.Cl | <BB_2013> |
What is the molecular formula for <BB_2013>? | The molecular formula for <BB_2013> (Cc1cc(CN)nnc1C.Cl.Cl) is C7H13Cl2N3. | |
Describe the ring structures in building block <BB_2013>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2013>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2013>. | **Token:** <BB_2013>
**SMILES:** Cc1cc(CN)nnc1C.Cl.Cl
**Molecular Formula:** C7H13Cl2N3
**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_2014>. | CNc1ncnc2c(C)n[nH]c12 | |
What is the building block token for the following molecule? | CNc1ncnc2c(C)n[nH]c12 | <BB_2014> |
What is the molecular formula for <BB_2014>? | The molecular formula for <BB_2014> (CNc1ncnc2c(C)n[nH]c12) is C7H9N5. | |
Describe the ring structures in building block <BB_2014>. | 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_2014>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2014>. | **Token:** <BB_2014>
**SMILES:** CNc1ncnc2c(C)n[nH]c12
**Molecular Formula:** C7H9N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2015>. | Cc1nc(CC(=O)O)cs1 | |
What is the building block token for the following molecule? | Cc1nc(CC(=O)O)cs1 | <BB_2015> |
What is the molecular formula for <BB_2015>? | The molecular formula for <BB_2015> (Cc1nc(CC(=O)O)cs1) is C6H7NO2S. | |
Describe the ring structures in building block <BB_2015>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2015>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2015>. | **Token:** <BB_2015>
**SMILES:** Cc1nc(CC(=O)O)cs1
**Molecular Formula:** C6H7NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2016>. | COc1ccc(C(=O)OC(C)(C)C)c(N)c1 | |
What is the building block token for the following molecule? | COc1ccc(C(=O)OC(C)(C)C)c(N)c1 | <BB_2016> |
What is the molecular formula for <BB_2016>? | The molecular formula for <BB_2016> (COc1ccc(C(=O)OC(C)(C)C)c(N)c1) is C12H17NO3. | |
Describe the ring structures in building block <BB_2016>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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