instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2166>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2166>. | **Token:** <BB_2166>
**SMILES:** CC(C)(C)OC(=O)N1CC2(C1)C(N)CC21CCC1
**Molecular Formula:** C14H24N2O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2167>. | CN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccnc1 | |
What is the building block token for the following molecule? | CN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccnc1 | <BB_2167> |
What is the molecular formula for <BB_2167>? | The molecular formula for <BB_2167> (CN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccnc1) is C11H12N2O3. | |
Describe the ring structures in building block <BB_2167>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2167>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2167>. | **Token:** <BB_2167>
**SMILES:** CN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccnc1
**Molecular Formula:** C11H12N2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2168>. | C#CCS(=O)(=O)CCNC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C#CCS(=O)(=O)CCNC(=O)OC(C)(C)C | <BB_2168> |
What is the molecular formula for <BB_2168>? | The molecular formula for <BB_2168> (C#CCS(=O)(=O)CCNC(=O)OC(C)(C)C) is C10H17NO4S. | |
Describe the ring structures in building block <BB_2168>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2168>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2168>. | **Token:** <BB_2168>
**SMILES:** C#CCS(=O)(=O)CCNC(=O)OC(C)(C)C
**Molecular Formula:** C10H17NO4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2169>. | OCC1CC2(C1)OCCO2 | |
What is the building block token for the following molecule? | OCC1CC2(C1)OCCO2 | <BB_2169> |
What is the molecular formula for <BB_2169>? | The molecular formula for <BB_2169> (OCC1CC2(C1)OCCO2) is C7H12O3. | |
Describe the ring structures in building block <BB_2169>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2169>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2169>. | **Token:** <BB_2169>
**SMILES:** OCC1CC2(C1)OCCO2
**Molecular Formula:** C7H12O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2170>. | CNCC1(C)COC1 | |
What is the building block token for the following molecule? | CNCC1(C)COC1 | <BB_2170> |
What is the molecular formula for <BB_2170>? | The molecular formula for <BB_2170> (CNCC1(C)COC1) is C6H13NO. | |
Describe the ring structures in building block <BB_2170>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2170>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2170>. | **Token:** <BB_2170>
**SMILES:** CNCC1(C)COC1
**Molecular Formula:** C6H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2171>. | Nc1cc(N2C(=O)CCC2=O)ccc1F | |
What is the building block token for the following molecule? | Nc1cc(N2C(=O)CCC2=O)ccc1F | <BB_2171> |
What is the molecular formula for <BB_2171>? | The molecular formula for <BB_2171> (Nc1cc(N2C(=O)CCC2=O)ccc1F) is C10H9FN2O2. | |
Describe the ring structures in building block <BB_2171>. | 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_2171>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2171>. | **Token:** <BB_2171>
**SMILES:** Nc1cc(N2C(=O)CCC2=O)ccc1F
**Molecular Formula:** C10H9FN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2172>. | NC(=O)CNS(=O)(=O)c1cccc(C(=O)O)c1 | |
What is the building block token for the following molecule? | NC(=O)CNS(=O)(=O)c1cccc(C(=O)O)c1 | <BB_2172> |
What is the molecular formula for <BB_2172>? | The molecular formula for <BB_2172> (NC(=O)CNS(=O)(=O)c1cccc(C(=O)O)c1) is C9H10N2O5S. | |
Describe the ring structures in building block <BB_2172>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2172>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Amide, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2172>. | **Token:** <BB_2172>
**SMILES:** NC(=O)CNS(=O)(=O)c1cccc(C(=O)O)c1
**Molecular Formula:** C9H10N2O5S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Amide, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2173>. | CCOS(=O)(=O)C=CC(C)NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CCOS(=O)(=O)C=CC(C)NC(=O)OC(C)(C)C | <BB_2173> |
What is the molecular formula for <BB_2173>? | The molecular formula for <BB_2173> (CCOS(=O)(=O)C=CC(C)NC(=O)OC(C)(C)C) is C11H21NO5S. | |
Describe the ring structures in building block <BB_2173>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2173>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2173>. | **Token:** <BB_2173>
**SMILES:** CCOS(=O)(=O)C=CC(C)NC(=O)OC(C)(C)C
**Molecular Formula:** C11H21NO5S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2174>. | N#CCCCS(=O)(=O)Cl | |
What is the building block token for the following molecule? | N#CCCCS(=O)(=O)Cl | <BB_2174> |
What is the molecular formula for <BB_2174>? | The molecular formula for <BB_2174> (N#CCCCS(=O)(=O)Cl) is C4H6ClNO2S. | |
Describe the ring structures in building block <BB_2174>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2174>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2174>. | **Token:** <BB_2174>
**SMILES:** N#CCCCS(=O)(=O)Cl
**Molecular Formula:** C4H6ClNO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2175>. | Cl.OC[C@@H]1C[C@@H](F)CN1 | |
What is the building block token for the following molecule? | Cl.OC[C@@H]1C[C@@H](F)CN1 | <BB_2175> |
What is the molecular formula for <BB_2175>? | The molecular formula for <BB_2175> (Cl.OC[C@@H]1C[C@@H](F)CN1) is C5H11ClFNO. | |
Describe the ring structures in building block <BB_2175>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2175>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2175>. | **Token:** <BB_2175>
**SMILES:** Cl.OC[C@@H]1C[C@@H](F)CN1
**Molecular Formula:** C5H11ClFNO
**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_2176>. | C#Cc1cnn(C)c1C(=O)O | |
What is the building block token for the following molecule? | C#Cc1cnn(C)c1C(=O)O | <BB_2176> |
What is the molecular formula for <BB_2176>? | The molecular formula for <BB_2176> (C#Cc1cnn(C)c1C(=O)O) is C7H6N2O2. | |
Describe the ring structures in building block <BB_2176>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2176>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2176>. | **Token:** <BB_2176>
**SMILES:** C#Cc1cnn(C)c1C(=O)O
**Molecular Formula:** C7H6N2O2
**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_2177>. | CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[nH]1 | |
What is the building block token for the following molecule? | CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[nH]1 | <BB_2177> |
What is the molecular formula for <BB_2177>? | The molecular formula for <BB_2177> (CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[nH]1) is C10H11F7N2. | |
Describe the ring structures in building block <BB_2177>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2177>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2177>. | **Token:** <BB_2177>
**SMILES:** CC(C)(C)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n[nH]1
**Molecular Formula:** C10H11F7N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2178>. | Cc1nc2ccccc2c2ncccc12 | |
What is the building block token for the following molecule? | Cc1nc2ccccc2c2ncccc12 | <BB_2178> |
What is the molecular formula for <BB_2178>? | The molecular formula for <BB_2178> (Cc1nc2ccccc2c2ncccc12) is C13H10N2. | |
Describe the ring structures in building block <BB_2178>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2178>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2178>. | **Token:** <BB_2178>
**SMILES:** Cc1nc2ccccc2c2ncccc12
**Molecular Formula:** C13H10N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2179>. | CC(C)(C)OC(=O)N1CC2(CC(C(=O)O)C2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2(CC(C(=O)O)C2)C1 | <BB_2179> |
What is the molecular formula for <BB_2179>? | The molecular formula for <BB_2179> (CC(C)(C)OC(=O)N1CC2(CC(C(=O)O)C2)C1) is C12H19NO4. | |
Describe the ring structures in building block <BB_2179>. | 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_2179>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2179>. | **Token:** <BB_2179>
**SMILES:** CC(C)(C)OC(=O)N1CC2(CC(C(=O)O)C2)C1
**Molecular Formula:** C12H19NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2180>. | CC(C)C(=O)Nc1ccc(C#N)cc1 | |
What is the building block token for the following molecule? | CC(C)C(=O)Nc1ccc(C#N)cc1 | <BB_2180> |
What is the molecular formula for <BB_2180>? | The molecular formula for <BB_2180> (CC(C)C(=O)Nc1ccc(C#N)cc1) is C11H12N2O. | |
Describe the ring structures in building block <BB_2180>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2180>. | The molecule contains the following groups: Amide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2180>. | **Token:** <BB_2180>
**SMILES:** CC(C)C(=O)Nc1ccc(C#N)cc1
**Molecular Formula:** C11H12N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Nitrile | |
Provide the SMILES representation for the building block token <BB_2181>. | CNC(=S)N(C)N | |
What is the building block token for the following molecule? | CNC(=S)N(C)N | <BB_2181> |
What is the molecular formula for <BB_2181>? | The molecular formula for <BB_2181> (CNC(=S)N(C)N) is C3H9N3S. | |
Describe the ring structures in building block <BB_2181>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2181>. | The molecule contains the following groups: Amine, Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2181>. | **Token:** <BB_2181>
**SMILES:** CNC(=S)N(C)N
**Molecular Formula:** C3H9N3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2182>. | COC(=O)C(F)(F)CN.Cl | |
What is the building block token for the following molecule? | COC(=O)C(F)(F)CN.Cl | <BB_2182> |
What is the molecular formula for <BB_2182>? | The molecular formula for <BB_2182> (COC(=O)C(F)(F)CN.Cl) is C4H8ClF2NO2. | |
Describe the ring structures in building block <BB_2182>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2182>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2182>. | **Token:** <BB_2182>
**SMILES:** COC(=O)C(F)(F)CN.Cl
**Molecular Formula:** C4H8ClF2NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2183>. | Cl.O=C(O)C(c1ccncc1)C1CCCCC1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C(c1ccncc1)C1CCCCC1 | <BB_2183> |
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