instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1883>? | The molecular formula for <BB_1883> (Cc1cc(CS)no1) is C5H7NOS. | |
Describe the ring structures in building block <BB_1883>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1883>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_1883>. | **Token:** <BB_1883>
**SMILES:** Cc1cc(CS)no1
**Molecular Formula:** C5H7NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_1884>. | NCCc1cc(F)cc2c1OCOC2 | |
What is the building block token for the following molecule? | NCCc1cc(F)cc2c1OCOC2 | <BB_1884> |
What is the molecular formula for <BB_1884>? | The molecular formula for <BB_1884> (NCCc1cc(F)cc2c1OCOC2) is C10H12FNO2. | |
Describe the ring structures in building block <BB_1884>. | 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_1884>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1884>. | **Token:** <BB_1884>
**SMILES:** NCCc1cc(F)cc2c1OCOC2
**Molecular Formula:** C10H12FNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1885>. | CC(c1ccccc1)c1cc(C(=O)O)n[nH]1 | |
What is the building block token for the following molecule? | CC(c1ccccc1)c1cc(C(=O)O)n[nH]1 | <BB_1885> |
What is the molecular formula for <BB_1885>? | The molecular formula for <BB_1885> (CC(c1ccccc1)c1cc(C(=O)O)n[nH]1) is C12H12N2O2. | |
Describe the ring structures in building block <BB_1885>. | 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_1885>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1885>. | **Token:** <BB_1885>
**SMILES:** CC(c1ccccc1)c1cc(C(=O)O)n[nH]1
**Molecular Formula:** C12H12N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1886>. | CC(C)(C)OC(=O)NCCc1cc(N)[nH]n1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCc1cc(N)[nH]n1 | <BB_1886> |
What is the molecular formula for <BB_1886>? | The molecular formula for <BB_1886> (CC(C)(C)OC(=O)NCCc1cc(N)[nH]n1) is C10H18N4O2. | |
Describe the ring structures in building block <BB_1886>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1886>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1886>. | **Token:** <BB_1886>
**SMILES:** CC(C)(C)OC(=O)NCCc1cc(N)[nH]n1
**Molecular Formula:** C10H18N4O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1887>. | Cl.N[C@H]1CNC1=O | |
What is the building block token for the following molecule? | Cl.N[C@H]1CNC1=O | <BB_1887> |
What is the molecular formula for <BB_1887>? | The molecular formula for <BB_1887> (Cl.N[C@H]1CNC1=O) is C3H7ClN2O. | |
Describe the ring structures in building block <BB_1887>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1887>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1887>. | **Token:** <BB_1887>
**SMILES:** Cl.N[C@H]1CNC1=O
**Molecular Formula:** C3H7ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1888>. | Cl.O=C(O)C12CCC(CNC1)C2(F)F | |
What is the building block token for the following molecule? | Cl.O=C(O)C12CCC(CNC1)C2(F)F | <BB_1888> |
What is the molecular formula for <BB_1888>? | The molecular formula for <BB_1888> (Cl.O=C(O)C12CCC(CNC1)C2(F)F) is C8H12ClF2NO2. | |
Describe the ring structures in building block <BB_1888>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1888>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1888>. | **Token:** <BB_1888>
**SMILES:** Cl.O=C(O)C12CCC(CNC1)C2(F)F
**Molecular Formula:** C8H12ClF2NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1889>. | COc1cccc(N2CC(C(=O)O)CC2=O)c1 | |
What is the building block token for the following molecule? | COc1cccc(N2CC(C(=O)O)CC2=O)c1 | <BB_1889> |
What is the molecular formula for <BB_1889>? | The molecular formula for <BB_1889> (COc1cccc(N2CC(C(=O)O)CC2=O)c1) is C12H13NO4. | |
Describe the ring structures in building block <BB_1889>. | 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_1889>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1889>. | **Token:** <BB_1889>
**SMILES:** COc1cccc(N2CC(C(=O)O)CC2=O)c1
**Molecular Formula:** C12H13NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1890>. | CO[C@@H]1C[C@H](N)C12CCC2.Cl | |
What is the building block token for the following molecule? | CO[C@@H]1C[C@H](N)C12CCC2.Cl | <BB_1890> |
What is the molecular formula for <BB_1890>? | The molecular formula for <BB_1890> (CO[C@@H]1C[C@H](N)C12CCC2.Cl) is C8H16ClNO. | |
Describe the ring structures in building block <BB_1890>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1890>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1890>. | **Token:** <BB_1890>
**SMILES:** CO[C@@H]1C[C@H](N)C12CCC2.Cl
**Molecular Formula:** C8H16ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1891>. | CC(C)(C)c1n[nH]c(=O)s1 | |
What is the building block token for the following molecule? | CC(C)(C)c1n[nH]c(=O)s1 | <BB_1891> |
What is the molecular formula for <BB_1891>? | The molecular formula for <BB_1891> (CC(C)(C)c1n[nH]c(=O)s1) is C6H10N2OS. | |
Describe the ring structures in building block <BB_1891>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1891>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1891>. | **Token:** <BB_1891>
**SMILES:** CC(C)(C)c1n[nH]c(=O)s1
**Molecular Formula:** C6H10N2OS
**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_1892>. | Cc1ccc(N)cc1-c1ccc(C#N)s1 | |
What is the building block token for the following molecule? | Cc1ccc(N)cc1-c1ccc(C#N)s1 | <BB_1892> |
What is the molecular formula for <BB_1892>? | The molecular formula for <BB_1892> (Cc1ccc(N)cc1-c1ccc(C#N)s1) is C12H10N2S. | |
Describe the ring structures in building block <BB_1892>. | 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_1892>. | The molecule contains the following groups: Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1892>. | **Token:** <BB_1892>
**SMILES:** Cc1ccc(N)cc1-c1ccc(C#N)s1
**Molecular Formula:** C12H10N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_1893>. | C#CCCc1ccccc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | C#CCCc1ccccc1[N+](=O)[O-] | <BB_1893> |
What is the molecular formula for <BB_1893>? | The molecular formula for <BB_1893> (C#CCCc1ccccc1[N+](=O)[O-]) is C10H9NO2. | |
Describe the ring structures in building block <BB_1893>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1893>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1893>. | **Token:** <BB_1893>
**SMILES:** C#CCCc1ccccc1[N+](=O)[O-]
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_1894>. | CC(C)Oc1ccc(S(=O)(=O)Cl)cc1Cl | |
What is the building block token for the following molecule? | CC(C)Oc1ccc(S(=O)(=O)Cl)cc1Cl | <BB_1894> |
What is the molecular formula for <BB_1894>? | The molecular formula for <BB_1894> (CC(C)Oc1ccc(S(=O)(=O)Cl)cc1Cl) is C9H10Cl2O3S. | |
Describe the ring structures in building block <BB_1894>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1894>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1894>. | **Token:** <BB_1894>
**SMILES:** CC(C)Oc1ccc(S(=O)(=O)Cl)cc1Cl
**Molecular Formula:** C9H10Cl2O3S
**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_1895>. | CC12CCC(C(=O)O)(CO1)C2 | |
What is the building block token for the following molecule? | CC12CCC(C(=O)O)(CO1)C2 | <BB_1895> |
What is the molecular formula for <BB_1895>? | The molecular formula for <BB_1895> (CC12CCC(C(=O)O)(CO1)C2) is C8H12O3. | |
Describe the ring structures in building block <BB_1895>. | 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_1895>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1895>. | **Token:** <BB_1895>
**SMILES:** CC12CCC(C(=O)O)(CO1)C2
**Molecular Formula:** C8H12O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1896>. | CNCc1ccn(C)n1 | |
What is the building block token for the following molecule? | CNCc1ccn(C)n1 | <BB_1896> |
What is the molecular formula for <BB_1896>? | The molecular formula for <BB_1896> (CNCc1ccn(C)n1) is C6H11N3. | |
Describe the ring structures in building block <BB_1896>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1896>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1896>. | **Token:** <BB_1896>
**SMILES:** CNCc1ccn(C)n1
**Molecular Formula:** C6H11N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1897>. | CCOC(=O)c1cnnc(Br)c1 | |
What is the building block token for the following molecule? | CCOC(=O)c1cnnc(Br)c1 | <BB_1897> |
What is the molecular formula for <BB_1897>? | The molecular formula for <BB_1897> (CCOC(=O)c1cnnc(Br)c1) is C7H7BrN2O2. | |
Describe the ring structures in building block <BB_1897>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1897>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1897>. | **Token:** <BB_1897>
**SMILES:** CCOC(=O)c1cnnc(Br)c1
**Molecular Formula:** C7H7BrN2O2
**Ring System:** The molecule contains 1 ring(s): 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_1898>. | O=C(O)c1cncc(F)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cncc(F)c1 | <BB_1898> |
What is the molecular formula for <BB_1898>? | The molecular formula for <BB_1898> (O=C(O)c1cncc(F)c1) is C6H4FNO2. | |
Describe the ring structures in building block <BB_1898>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1898>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1898>. | **Token:** <BB_1898>
**SMILES:** O=C(O)c1cncc(F)c1
**Molecular Formula:** C6H4FNO2
**Ring System:** The molecule contains 1 ring(s): 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_1899>. | CC(C)c1c(Cl)nc(Cl)nc1-c1ccccc1 | |
What is the building block token for the following molecule? | CC(C)c1c(Cl)nc(Cl)nc1-c1ccccc1 | <BB_1899> |
What is the molecular formula for <BB_1899>? | The molecular formula for <BB_1899> (CC(C)c1c(Cl)nc(Cl)nc1-c1ccccc1) is C13H12Cl2N2. | |
Describe the ring structures in building block <BB_1899>. | 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_1899>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1899>. | **Token:** <BB_1899>
**SMILES:** CC(C)c1c(Cl)nc(Cl)nc1-c1ccccc1
**Molecular Formula:** C13H12Cl2N2
**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) |
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