instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_966>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_966>. | **Token:** <BB_966>
**SMILES:** NCc1ccc(C2CC2)cc1F
**Molecular Formula:** C10H12FN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_967>. | COC(=O)c1c[nH]c2ccc(Br)cc12 | |
What is the building block token for the following molecule? | COC(=O)c1c[nH]c2ccc(Br)cc12 | <BB_967> |
What is the molecular formula for <BB_967>? | The molecular formula for <BB_967> (COC(=O)c1c[nH]c2ccc(Br)cc12) is C10H8BrNO2. | |
Describe the ring structures in building block <BB_967>. | 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_967>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_967>. | **Token:** <BB_967>
**SMILES:** COC(=O)c1c[nH]c2ccc(Br)cc12
**Molecular Formula:** C10H8BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_968>. | NS(=O)(=O)c1cnc(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1cnc(Cl)c(Cl)c1 | <BB_968> |
What is the molecular formula for <BB_968>? | The molecular formula for <BB_968> (NS(=O)(=O)c1cnc(Cl)c(Cl)c1) is C5H4Cl2N2O2S. | |
Describe the ring structures in building block <BB_968>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_968>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_968>. | **Token:** <BB_968>
**SMILES:** NS(=O)(=O)c1cnc(Cl)c(Cl)c1
**Molecular Formula:** C5H4Cl2N2O2S
**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_969>. | CCn1cc(N)ccc1=O.Cl | |
What is the building block token for the following molecule? | CCn1cc(N)ccc1=O.Cl | <BB_969> |
What is the molecular formula for <BB_969>? | The molecular formula for <BB_969> (CCn1cc(N)ccc1=O.Cl) is C7H11ClN2O. | |
Describe the ring structures in building block <BB_969>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_969>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_969>. | **Token:** <BB_969>
**SMILES:** CCn1cc(N)ccc1=O.Cl
**Molecular Formula:** C7H11ClN2O
**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_970>. | CCOC1(CNC(=O)OC(C)(C)C)CNC1 | |
What is the building block token for the following molecule? | CCOC1(CNC(=O)OC(C)(C)C)CNC1 | <BB_970> |
What is the molecular formula for <BB_970>? | The molecular formula for <BB_970> (CCOC1(CNC(=O)OC(C)(C)C)CNC1) is C11H22N2O3. | |
Describe the ring structures in building block <BB_970>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_970>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_970>. | **Token:** <BB_970>
**SMILES:** CCOC1(CNC(=O)OC(C)(C)C)CNC1
**Molecular Formula:** C11H22N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_971>. | Cl.O=C(C1CCCCN1)N1CCCCC1 | |
What is the building block token for the following molecule? | Cl.O=C(C1CCCCN1)N1CCCCC1 | <BB_971> |
What is the molecular formula for <BB_971>? | The molecular formula for <BB_971> (Cl.O=C(C1CCCCN1)N1CCCCC1) is C11H21ClN2O. | |
Describe the ring structures in building block <BB_971>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_971>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_971>. | **Token:** <BB_971>
**SMILES:** Cl.O=C(C1CCCCN1)N1CCCCC1
**Molecular Formula:** C11H21ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_972>. | Cc1ccc(NC2CCOCC2)cc1C.Cl | |
What is the building block token for the following molecule? | Cc1ccc(NC2CCOCC2)cc1C.Cl | <BB_972> |
What is the molecular formula for <BB_972>? | The molecular formula for <BB_972> (Cc1ccc(NC2CCOCC2)cc1C.Cl) is C13H20ClNO. | |
Describe the ring structures in building block <BB_972>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_972>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_972>. | **Token:** <BB_972>
**SMILES:** Cc1ccc(NC2CCOCC2)cc1C.Cl
**Molecular Formula:** C13H20ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_973>. | C#CCC(NC(=O)OC(C)(C)C)C(=O)OC | |
What is the building block token for the following molecule? | C#CCC(NC(=O)OC(C)(C)C)C(=O)OC | <BB_973> |
What is the molecular formula for <BB_973>? | The molecular formula for <BB_973> (C#CCC(NC(=O)OC(C)(C)C)C(=O)OC) is C11H17NO4. | |
Describe the ring structures in building block <BB_973>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_973>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_973>. | **Token:** <BB_973>
**SMILES:** C#CCC(NC(=O)OC(C)(C)C)C(=O)OC
**Molecular Formula:** C11H17NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_974>. | O=C1NC(=O)C(F)(F)c2ccccc21 | |
What is the building block token for the following molecule? | O=C1NC(=O)C(F)(F)c2ccccc21 | <BB_974> |
What is the molecular formula for <BB_974>? | The molecular formula for <BB_974> (O=C1NC(=O)C(F)(F)c2ccccc21) is C9H5F2NO2. | |
Describe the ring structures in building block <BB_974>. | 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_974>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_974>. | **Token:** <BB_974>
**SMILES:** O=C1NC(=O)C(F)(F)c2ccccc21
**Molecular Formula:** C9H5F2NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_975>. | Nc1nc2ccc(F)cc2o1 | |
What is the building block token for the following molecule? | Nc1nc2ccc(F)cc2o1 | <BB_975> |
What is the molecular formula for <BB_975>? | The molecular formula for <BB_975> (Nc1nc2ccc(F)cc2o1) is C7H5FN2O. | |
Describe the ring structures in building block <BB_975>. | 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_975>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_975>. | **Token:** <BB_975>
**SMILES:** Nc1nc2ccc(F)cc2o1
**Molecular Formula:** C7H5FN2O
**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_976>. | CNc1ccc(Cl)c(OC)c1.Cl | |
What is the building block token for the following molecule? | CNc1ccc(Cl)c(OC)c1.Cl | <BB_976> |
What is the molecular formula for <BB_976>? | The molecular formula for <BB_976> (CNc1ccc(Cl)c(OC)c1.Cl) is C8H11Cl2NO. | |
Describe the ring structures in building block <BB_976>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_976>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_976>. | **Token:** <BB_976>
**SMILES:** CNc1ccc(Cl)c(OC)c1.Cl
**Molecular Formula:** C8H11Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_977>. | CCOC(=O)Cc1nc(Br)n(C)c1C | |
What is the building block token for the following molecule? | CCOC(=O)Cc1nc(Br)n(C)c1C | <BB_977> |
What is the molecular formula for <BB_977>? | The molecular formula for <BB_977> (CCOC(=O)Cc1nc(Br)n(C)c1C) is C9H13BrN2O2. | |
Describe the ring structures in building block <BB_977>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_977>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_977>. | **Token:** <BB_977>
**SMILES:** CCOC(=O)Cc1nc(Br)n(C)c1C
**Molecular Formula:** C9H13BrN2O2
**Ring System:** The molecule contains 1 ring(s): 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_978>. | Brc1cccc2c1c(I)nn2C1CCCCO1 | |
What is the building block token for the following molecule? | Brc1cccc2c1c(I)nn2C1CCCCO1 | <BB_978> |
What is the molecular formula for <BB_978>? | The molecular formula for <BB_978> (Brc1cccc2c1c(I)nn2C1CCCCO1) is C12H12BrIN2O. | |
Describe the ring structures in building block <BB_978>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_978>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_978>. | **Token:** <BB_978>
**SMILES:** Brc1cccc2c1c(I)nn2C1CCCCO1
**Molecular Formula:** C12H12BrIN2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_979>. | Brc1ccc2c(c1)C1(CCNCC1)OC2.Cl | |
What is the building block token for the following molecule? | Brc1ccc2c(c1)C1(CCNCC1)OC2.Cl | <BB_979> |
What is the molecular formula for <BB_979>? | The molecular formula for <BB_979> (Brc1ccc2c(c1)C1(CCNCC1)OC2.Cl) is C12H15BrClNO. | |
Describe the ring structures in building block <BB_979>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_979>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_979>. | **Token:** <BB_979>
**SMILES:** Brc1ccc2c(c1)C1(CCNCC1)OC2.Cl
**Molecular Formula:** C12H15BrClNO
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic 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_980>. | O=[N+]([O-])c1ccc(S(=O)(=O)Cl)s1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc(S(=O)(=O)Cl)s1 | <BB_980> |
What is the molecular formula for <BB_980>? | The molecular formula for <BB_980> (O=[N+]([O-])c1ccc(S(=O)(=O)Cl)s1) is C4H2ClNO4S2. | |
Describe the ring structures in building block <BB_980>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_980>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_980>. | **Token:** <BB_980>
**SMILES:** O=[N+]([O-])c1ccc(S(=O)(=O)Cl)s1
**Molecular Formula:** C4H2ClNO4S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_981>. | CC(C)(C)OC(=O)N1CCNC(CF)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCNC(CF)C1 | <BB_981> |
What is the molecular formula for <BB_981>? | The molecular formula for <BB_981> (CC(C)(C)OC(=O)N1CCNC(CF)C1) is C10H19FN2O2. | |
Describe the ring structures in building block <BB_981>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_981>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_981>. | **Token:** <BB_981>
**SMILES:** CC(C)(C)OC(=O)N1CCNC(CF)C1
**Molecular Formula:** C10H19FN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_982>. | CC1(C)CN(c2ccccc2N)C1=O | |
What is the building block token for the following molecule? | CC1(C)CN(c2ccccc2N)C1=O | <BB_982> |
What is the molecular formula for <BB_982>? | The molecular formula for <BB_982> (CC1(C)CN(c2ccccc2N)C1=O) is C11H14N2O. | |
Describe the ring structures in building block <BB_982>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_982>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_982>. | **Token:** <BB_982>
**SMILES:** CC1(C)CN(c2ccccc2N)C1=O
**Molecular Formula:** C11H14N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_983>. | Cc1cc(C)c(CC=O)c(C)c1 | |
What is the building block token for the following molecule? | Cc1cc(C)c(CC=O)c(C)c1 | <BB_983> |
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