instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_116>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_116>. | **Token:** <BB_116>
**SMILES:** CCCCc1nnc(N)s1
**Molecular Formula:** C6H11N3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_117>. | C#Cc1c(F)ccc(F)c1Cl | |
What is the building block token for the following molecule? | C#Cc1c(F)ccc(F)c1Cl | <BB_117> |
What is the molecular formula for <BB_117>? | The molecular formula for <BB_117> (C#Cc1c(F)ccc(F)c1Cl) is C8H3ClF2. | |
Describe the ring structures in building block <BB_117>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_117>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_117>. | **Token:** <BB_117>
**SMILES:** C#Cc1c(F)ccc(F)c1Cl
**Molecular Formula:** C8H3ClF2
**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_118>. | CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+] | |
What is the building block token for the following molecule? | CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+] | <BB_118> |
What is the molecular formula for <BB_118>? | The molecular formula for <BB_118> (CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+]) is C9H16LiO5PS. | |
Describe the ring structures in building block <BB_118>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_118>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_118>. | **Token:** <BB_118>
**SMILES:** CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+]
**Molecular Formula:** C9H16LiO5PS
**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:** None specific | |
Provide the SMILES representation for the building block token <BB_119>. | CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O | <BB_119> |
What is the molecular formula for <BB_119>? | The molecular formula for <BB_119> (CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O) is C9H15F2NO5. | |
Describe the ring structures in building block <BB_119>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_119>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_119>. | **Token:** <BB_119>
**SMILES:** CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O
**Molecular Formula:** C9H15F2NO5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_120>. | CCOC(=O)CC1C(=O)CCN1C(=O)OCC | |
What is the building block token for the following molecule? | CCOC(=O)CC1C(=O)CCN1C(=O)OCC | <BB_120> |
What is the molecular formula for <BB_120>? | The molecular formula for <BB_120> (CCOC(=O)CC1C(=O)CCN1C(=O)OCC) is C11H17NO5. | |
Describe the ring structures in building block <BB_120>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_120>. | The molecule contains the following groups: Amide, Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_120>. | **Token:** <BB_120>
**SMILES:** CCOC(=O)CC1C(=O)CCN1C(=O)OCC
**Molecular Formula:** C11H17NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_121>. | CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1 | <BB_121> |
What is the molecular formula for <BB_121>? | The molecular formula for <BB_121> (CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1) is C14H26N2O2. | |
Describe the ring structures in building block <BB_121>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_121>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_121>. | **Token:** <BB_121>
**SMILES:** CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_122>. | Nc1cnc(Cl)nc1Br | |
What is the building block token for the following molecule? | Nc1cnc(Cl)nc1Br | <BB_122> |
What is the molecular formula for <BB_122>? | The molecular formula for <BB_122> (Nc1cnc(Cl)nc1Br) is C4H3BrClN3. | |
Describe the ring structures in building block <BB_122>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_122>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_122>. | **Token:** <BB_122>
**SMILES:** Nc1cnc(Cl)nc1Br
**Molecular Formula:** C4H3BrClN3
**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_123>. | COc1cccnc1C(=O)O.Cl | |
What is the building block token for the following molecule? | COc1cccnc1C(=O)O.Cl | <BB_123> |
What is the molecular formula for <BB_123>? | The molecular formula for <BB_123> (COc1cccnc1C(=O)O.Cl) is C7H8ClNO3. | |
Describe the ring structures in building block <BB_123>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_123>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_123>. | **Token:** <BB_123>
**SMILES:** COc1cccnc1C(=O)O.Cl
**Molecular Formula:** C7H8ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_124>. | Cl.NC12CC(C3CCCC3)(C1)C2 | |
What is the building block token for the following molecule? | Cl.NC12CC(C3CCCC3)(C1)C2 | <BB_124> |
What is the molecular formula for <BB_124>? | The molecular formula for <BB_124> (Cl.NC12CC(C3CCCC3)(C1)C2) is C10H18ClN. | |
Describe the ring structures in building block <BB_124>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_124>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_124>. | **Token:** <BB_124>
**SMILES:** Cl.NC12CC(C3CCCC3)(C1)C2
**Molecular Formula:** C10H18ClN
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_125>. | Cc1cc(Cl)cc(C#N)c1 | |
What is the building block token for the following molecule? | Cc1cc(Cl)cc(C#N)c1 | <BB_125> |
What is the molecular formula for <BB_125>? | The molecular formula for <BB_125> (Cc1cc(Cl)cc(C#N)c1) is C8H6ClN. | |
Describe the ring structures in building block <BB_125>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_125>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_125>. | **Token:** <BB_125>
**SMILES:** Cc1cc(Cl)cc(C#N)c1
**Molecular Formula:** C8H6ClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_126>. | O=C(CCOc1ccccc1)N1CCCC1 | |
What is the building block token for the following molecule? | O=C(CCOc1ccccc1)N1CCCC1 | <BB_126> |
What is the molecular formula for <BB_126>? | The molecular formula for <BB_126> (O=C(CCOc1ccccc1)N1CCCC1) is C13H17NO2. | |
Describe the ring structures in building block <BB_126>. | 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_126>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_126>. | **Token:** <BB_126>
**SMILES:** O=C(CCOc1ccccc1)N1CCCC1
**Molecular Formula:** C13H17NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_127>. | N#CC(O)c1ccc(Br)cc1F | |
What is the building block token for the following molecule? | N#CC(O)c1ccc(Br)cc1F | <BB_127> |
What is the molecular formula for <BB_127>? | The molecular formula for <BB_127> (N#CC(O)c1ccc(Br)cc1F) is C8H5BrFNO. | |
Describe the ring structures in building block <BB_127>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_127>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_127>. | **Token:** <BB_127>
**SMILES:** N#CC(O)c1ccc(Br)cc1F
**Molecular Formula:** C8H5BrFNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_128>. | N#CCC(=O)c1cc(Cl)ccc1Cl | |
What is the building block token for the following molecule? | N#CCC(=O)c1cc(Cl)ccc1Cl | <BB_128> |
What is the molecular formula for <BB_128>? | The molecular formula for <BB_128> (N#CCC(=O)c1cc(Cl)ccc1Cl) is C9H5Cl2NO. | |
Describe the ring structures in building block <BB_128>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_128>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_128>. | **Token:** <BB_128>
**SMILES:** N#CCC(=O)c1cc(Cl)ccc1Cl
**Molecular Formula:** C9H5Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_129>. | O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2 | |
What is the building block token for the following molecule? | O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2 | <BB_129> |
What is the molecular formula for <BB_129>? | The molecular formula for <BB_129> (O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2) is C12H9NO4. | |
Describe the ring structures in building block <BB_129>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_129>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_129>. | **Token:** <BB_129>
**SMILES:** O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2
**Molecular Formula:** C12H9NO4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_130>. | COCCSCCCBr | |
What is the building block token for the following molecule? | COCCSCCCBr | <BB_130> |
What is the molecular formula for <BB_130>? | The molecular formula for <BB_130> (COCCSCCCBr) is C6H13BrOS. | |
Describe the ring structures in building block <BB_130>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_130>. | The molecule contains the following groups: Ether, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_130>. | **Token:** <BB_130>
**SMILES:** COCCSCCCBr
**Molecular Formula:** C6H13BrOS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_131>. | C[C@H](O)[C@@H](N)C(=O)O | |
What is the building block token for the following molecule? | C[C@H](O)[C@@H](N)C(=O)O | <BB_131> |
What is the molecular formula for <BB_131>? | The molecular formula for <BB_131> (C[C@H](O)[C@@H](N)C(=O)O) is C4H9NO3. | |
Describe the ring structures in building block <BB_131>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_131>. | The molecule contains the following groups: Carboxylic Acid, Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_131>. | **Token:** <BB_131>
**SMILES:** C[C@H](O)[C@@H](N)C(=O)O
**Molecular Formula:** C4H9NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_132>. | CC(C)C1(O)CCCNC1.Cl | |
What is the building block token for the following molecule? | CC(C)C1(O)CCCNC1.Cl | <BB_132> |
What is the molecular formula for <BB_132>? | The molecular formula for <BB_132> (CC(C)C1(O)CCCNC1.Cl) is C8H18ClNO. | |
Describe the ring structures in building block <BB_132>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_132>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_132>. | **Token:** <BB_132>
**SMILES:** CC(C)C1(O)CCCNC1.Cl
**Molecular Formula:** C8H18ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_133>. | O=C(O)COc1ccc(CO)cc1 | |
What is the building block token for the following molecule? | O=C(O)COc1ccc(CO)cc1 | <BB_133> |
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