instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2050>. | O=C(O)Cc1c[nH]c2cc(F)ccc12 | |
What is the building block token for the following molecule? | O=C(O)Cc1c[nH]c2cc(F)ccc12 | <BB_2050> |
What is the molecular formula for <BB_2050>? | The molecular formula for <BB_2050> (O=C(O)Cc1c[nH]c2cc(F)ccc12) is C10H8FNO2. | |
Describe the ring structures in building block <BB_2050>. | 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_2050>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2050>. | **Token:** <BB_2050>
**SMILES:** O=C(O)Cc1c[nH]c2cc(F)ccc12
**Molecular Formula:** C10H8FNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_2051>. | O=Cc1ccc(OC(F)F)cc1 | |
What is the building block token for the following molecule? | O=Cc1ccc(OC(F)F)cc1 | <BB_2051> |
What is the molecular formula for <BB_2051>? | The molecular formula for <BB_2051> (O=Cc1ccc(OC(F)F)cc1) is C8H6F2O2. | |
Describe the ring structures in building block <BB_2051>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2051>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2051>. | **Token:** <BB_2051>
**SMILES:** O=Cc1ccc(OC(F)F)cc1
**Molecular Formula:** C8H6F2O2
**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_2052>. | Clc1nnc(Cl)c2cc(Br)ccc12 | |
What is the building block token for the following molecule? | Clc1nnc(Cl)c2cc(Br)ccc12 | <BB_2052> |
What is the molecular formula for <BB_2052>? | The molecular formula for <BB_2052> (Clc1nnc(Cl)c2cc(Br)ccc12) is C8H3BrCl2N2. | |
Describe the ring structures in building block <BB_2052>. | 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_2052>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2052>. | **Token:** <BB_2052>
**SMILES:** Clc1nnc(Cl)c2cc(Br)ccc12
**Molecular Formula:** C8H3BrCl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2053>. | Cc1nc(Br)oc1CO | |
What is the building block token for the following molecule? | Cc1nc(Br)oc1CO | <BB_2053> |
What is the molecular formula for <BB_2053>? | The molecular formula for <BB_2053> (Cc1nc(Br)oc1CO) is C5H6BrNO2. | |
Describe the ring structures in building block <BB_2053>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2053>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2053>. | **Token:** <BB_2053>
**SMILES:** Cc1nc(Br)oc1CO
**Molecular Formula:** C5H6BrNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2054>. | Cl.NCCc1ccc(F)c(Cl)c1 | |
What is the building block token for the following molecule? | Cl.NCCc1ccc(F)c(Cl)c1 | <BB_2054> |
What is the molecular formula for <BB_2054>? | The molecular formula for <BB_2054> (Cl.NCCc1ccc(F)c(Cl)c1) is C8H10Cl2FN. | |
Describe the ring structures in building block <BB_2054>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2054>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2054>. | **Token:** <BB_2054>
**SMILES:** Cl.NCCc1ccc(F)c(Cl)c1
**Molecular Formula:** C8H10Cl2FN
**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_2055>. | CC(C)(C)OC(=O)CCCCCCCO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)CCCCCCCO | <BB_2055> |
What is the molecular formula for <BB_2055>? | The molecular formula for <BB_2055> (CC(C)(C)OC(=O)CCCCCCCO) is C12H24O3. | |
Describe the ring structures in building block <BB_2055>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2055>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2055>. | **Token:** <BB_2055>
**SMILES:** CC(C)(C)OC(=O)CCCCCCCO
**Molecular Formula:** C12H24O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2056>. | Cl.FC(F)(F)c1cccc(CC2CCNC2)c1 | |
What is the building block token for the following molecule? | Cl.FC(F)(F)c1cccc(CC2CCNC2)c1 | <BB_2056> |
What is the molecular formula for <BB_2056>? | The molecular formula for <BB_2056> (Cl.FC(F)(F)c1cccc(CC2CCNC2)c1) is C12H15ClF3N. | |
Describe the ring structures in building block <BB_2056>. | 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_2056>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2056>. | **Token:** <BB_2056>
**SMILES:** Cl.FC(F)(F)c1cccc(CC2CCNC2)c1
**Molecular Formula:** C12H15ClF3N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_2057>. | NC(=O)c1nccc(Cl)n1 | |
What is the building block token for the following molecule? | NC(=O)c1nccc(Cl)n1 | <BB_2057> |
What is the molecular formula for <BB_2057>? | The molecular formula for <BB_2057> (NC(=O)c1nccc(Cl)n1) is C5H4ClN3O. | |
Describe the ring structures in building block <BB_2057>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2057>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2057>. | **Token:** <BB_2057>
**SMILES:** NC(=O)c1nccc(Cl)n1
**Molecular Formula:** C5H4ClN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2058>. | CCn1c(C)cc(C(=O)CN=[N+]=[N-])c1C | |
What is the building block token for the following molecule? | CCn1c(C)cc(C(=O)CN=[N+]=[N-])c1C | <BB_2058> |
What is the molecular formula for <BB_2058>? | The molecular formula for <BB_2058> (CCn1c(C)cc(C(=O)CN=[N+]=[N-])c1C) is C10H14N4O. | |
Describe the ring structures in building block <BB_2058>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2058>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2058>. | **Token:** <BB_2058>
**SMILES:** CCn1c(C)cc(C(=O)CN=[N+]=[N-])c1C
**Molecular Formula:** C10H14N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2059>. | COc1ccccc1CCC=O | |
What is the building block token for the following molecule? | COc1ccccc1CCC=O | <BB_2059> |
What is the molecular formula for <BB_2059>? | The molecular formula for <BB_2059> (COc1ccccc1CCC=O) is C10H12O2. | |
Describe the ring structures in building block <BB_2059>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2059>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2059>. | **Token:** <BB_2059>
**SMILES:** COc1ccccc1CCC=O
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2060>. | Cc1cn(CCCC(=O)O)nc1C(F)(F)F | |
What is the building block token for the following molecule? | Cc1cn(CCCC(=O)O)nc1C(F)(F)F | <BB_2060> |
What is the molecular formula for <BB_2060>? | The molecular formula for <BB_2060> (Cc1cn(CCCC(=O)O)nc1C(F)(F)F) is C9H11F3N2O2. | |
Describe the ring structures in building block <BB_2060>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2060>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2060>. | **Token:** <BB_2060>
**SMILES:** Cc1cn(CCCC(=O)O)nc1C(F)(F)F
**Molecular Formula:** C9H11F3N2O2
**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_2061>. | CCCS(=O)(=O)N1CCC(N)CC1.Cl | |
What is the building block token for the following molecule? | CCCS(=O)(=O)N1CCC(N)CC1.Cl | <BB_2061> |
What is the molecular formula for <BB_2061>? | The molecular formula for <BB_2061> (CCCS(=O)(=O)N1CCC(N)CC1.Cl) is C8H19ClN2O2S. | |
Describe the ring structures in building block <BB_2061>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2061>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2061>. | **Token:** <BB_2061>
**SMILES:** CCCS(=O)(=O)N1CCC(N)CC1.Cl
**Molecular Formula:** C8H19ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2062>. | O=C(O)c1ccc2nnc(-c3ccccc3)n2c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc2nnc(-c3ccccc3)n2c1 | <BB_2062> |
What is the molecular formula for <BB_2062>? | The molecular formula for <BB_2062> (O=C(O)c1ccc2nnc(-c3ccccc3)n2c1) is C13H9N3O2. | |
Describe the ring structures in building block <BB_2062>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2062>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2062>. | **Token:** <BB_2062>
**SMILES:** O=C(O)c1ccc2nnc(-c3ccccc3)n2c1
**Molecular Formula:** C13H9N3O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2063>. | Cl.NCc1nccc(Cl)n1 | |
What is the building block token for the following molecule? | Cl.NCc1nccc(Cl)n1 | <BB_2063> |
What is the molecular formula for <BB_2063>? | The molecular formula for <BB_2063> (Cl.NCc1nccc(Cl)n1) is C5H7Cl2N3. | |
Describe the ring structures in building block <BB_2063>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2063>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2063>. | **Token:** <BB_2063>
**SMILES:** Cl.NCc1nccc(Cl)n1
**Molecular Formula:** C5H7Cl2N3
**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_2064>. | Oc1cnc2c(F)c(F)ccc2c1 | |
What is the building block token for the following molecule? | Oc1cnc2c(F)c(F)ccc2c1 | <BB_2064> |
What is the molecular formula for <BB_2064>? | The molecular formula for <BB_2064> (Oc1cnc2c(F)c(F)ccc2c1) is C9H5F2NO. | |
Describe the ring structures in building block <BB_2064>. | 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_2064>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2064>. | **Token:** <BB_2064>
**SMILES:** Oc1cnc2c(F)c(F)ccc2c1
**Molecular Formula:** C9H5F2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2065>. | CC(N)Cc1ccc2cnoc2c1.Cl | |
What is the building block token for the following molecule? | CC(N)Cc1ccc2cnoc2c1.Cl | <BB_2065> |
What is the molecular formula for <BB_2065>? | The molecular formula for <BB_2065> (CC(N)Cc1ccc2cnoc2c1.Cl) is C10H13ClN2O. | |
Describe the ring structures in building block <BB_2065>. | 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_2065>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2065>. | **Token:** <BB_2065>
**SMILES:** CC(N)Cc1ccc2cnoc2c1.Cl
**Molecular Formula:** C10H13ClN2O
**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_2066>. | O=C(O)CCn1cc(Br)c(C(F)(F)F)n1 | |
What is the building block token for the following molecule? | O=C(O)CCn1cc(Br)c(C(F)(F)F)n1 | <BB_2066> |
What is the molecular formula for <BB_2066>? | The molecular formula for <BB_2066> (O=C(O)CCn1cc(Br)c(C(F)(F)F)n1) is C7H6BrF3N2O2. | |
Describe the ring structures in building block <BB_2066>. | The molecule contains 1 ring(s): an aromatic ring of size 5. |
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