instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_183>? | The molecular formula for <BB_183> (CC(C)C(=O)c1ccc(C(F)(F)F)cc1) is C11H11F3O. | |
Describe the ring structures in building block <BB_183>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_183>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_183>. | **Token:** <BB_183>
**SMILES:** CC(C)C(=O)c1ccc(C(F)(F)F)cc1
**Molecular Formula:** C11H11F3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_184>. | CC1=CC(c2ccccc2)N2NC(N)=NC2=N1 | |
What is the building block token for the following molecule? | CC1=CC(c2ccccc2)N2NC(N)=NC2=N1 | <BB_184> |
What is the molecular formula for <BB_184>? | The molecular formula for <BB_184> (CC1=CC(c2ccccc2)N2NC(N)=NC2=N1) is C12H13N5. | |
Describe the ring structures in building block <BB_184>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_184>. | The molecule contains the following groups: Amine, Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_184>. | **Token:** <BB_184>
**SMILES:** CC1=CC(c2ccccc2)N2NC(N)=NC2=N1
**Molecular Formula:** C12H13N5
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_185>. | CC(C)(C)Oc1ccc(N)cc1C#N | |
What is the building block token for the following molecule? | CC(C)(C)Oc1ccc(N)cc1C#N | <BB_185> |
What is the molecular formula for <BB_185>? | The molecular formula for <BB_185> (CC(C)(C)Oc1ccc(N)cc1C#N) is C11H14N2O. | |
Describe the ring structures in building block <BB_185>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_185>. | The molecule contains the following groups: Amine, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_185>. | **Token:** <BB_185>
**SMILES:** CC(C)(C)Oc1ccc(N)cc1C#N
**Molecular Formula:** C11H14N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_186>. | Cc1cc(F)cc2c1S(=O)(=O)NC2=O | |
What is the building block token for the following molecule? | Cc1cc(F)cc2c1S(=O)(=O)NC2=O | <BB_186> |
What is the molecular formula for <BB_186>? | The molecular formula for <BB_186> (Cc1cc(F)cc2c1S(=O)(=O)NC2=O) is C8H6FNO3S. | |
Describe the ring structures in building block <BB_186>. | 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_186>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_186>. | **Token:** <BB_186>
**SMILES:** Cc1cc(F)cc2c1S(=O)(=O)NC2=O
**Molecular Formula:** C8H6FNO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_187>. | COC(=O)Cc1cncnc1O | |
What is the building block token for the following molecule? | COC(=O)Cc1cncnc1O | <BB_187> |
What is the molecular formula for <BB_187>? | The molecular formula for <BB_187> (COC(=O)Cc1cncnc1O) is C7H8N2O3. | |
Describe the ring structures in building block <BB_187>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_187>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_187>. | **Token:** <BB_187>
**SMILES:** COC(=O)Cc1cncnc1O
**Molecular Formula:** C7H8N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_188>. | Cn1nc(I)cc1Br | |
What is the building block token for the following molecule? | Cn1nc(I)cc1Br | <BB_188> |
What is the molecular formula for <BB_188>? | The molecular formula for <BB_188> (Cn1nc(I)cc1Br) is C4H4BrIN2. | |
Describe the ring structures in building block <BB_188>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_188>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_188>. | **Token:** <BB_188>
**SMILES:** Cn1nc(I)cc1Br
**Molecular Formula:** C4H4BrIN2
**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_189>. | Cl.NC[C@H]1CCC[C@@H]1O | |
What is the building block token for the following molecule? | Cl.NC[C@H]1CCC[C@@H]1O | <BB_189> |
What is the molecular formula for <BB_189>? | The molecular formula for <BB_189> (Cl.NC[C@H]1CCC[C@@H]1O) is C6H14ClNO. | |
Describe the ring structures in building block <BB_189>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_189>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_189>. | **Token:** <BB_189>
**SMILES:** Cl.NC[C@H]1CCC[C@@H]1O
**Molecular Formula:** C6H14ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_190>. | C#CC1(O)CC2(CCC2)C1 | |
What is the building block token for the following molecule? | C#CC1(O)CC2(CCC2)C1 | <BB_190> |
What is the molecular formula for <BB_190>? | The molecular formula for <BB_190> (C#CC1(O)CC2(CCC2)C1) is C9H12O. | |
Describe the ring structures in building block <BB_190>. | 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_190>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_190>. | **Token:** <BB_190>
**SMILES:** C#CC1(O)CC2(CCC2)C1
**Molecular Formula:** C9H12O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_191>. | CCC1NCCNC1=O | |
What is the building block token for the following molecule? | CCC1NCCNC1=O | <BB_191> |
What is the molecular formula for <BB_191>? | The molecular formula for <BB_191> (CCC1NCCNC1=O) is C6H12N2O. | |
Describe the ring structures in building block <BB_191>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_191>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_191>. | **Token:** <BB_191>
**SMILES:** CCC1NCCNC1=O
**Molecular Formula:** C6H12N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_192>. | COC(OC)C(O)C(F)(F)F | |
What is the building block token for the following molecule? | COC(OC)C(O)C(F)(F)F | <BB_192> |
What is the molecular formula for <BB_192>? | The molecular formula for <BB_192> (COC(OC)C(O)C(F)(F)F) is C5H9F3O3. | |
Describe the ring structures in building block <BB_192>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_192>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_192>. | **Token:** <BB_192>
**SMILES:** COC(OC)C(O)C(F)(F)F
**Molecular Formula:** C5H9F3O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_193>. | NCCSc1cccc(F)c1 | |
What is the building block token for the following molecule? | NCCSc1cccc(F)c1 | <BB_193> |
What is the molecular formula for <BB_193>? | The molecular formula for <BB_193> (NCCSc1cccc(F)c1) is C8H10FNS. | |
Describe the ring structures in building block <BB_193>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_193>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_193>. | **Token:** <BB_193>
**SMILES:** NCCSc1cccc(F)c1
**Molecular Formula:** C8H10FNS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_194>. | CNCCc1ccccc1C(=O)O.Cl | |
What is the building block token for the following molecule? | CNCCc1ccccc1C(=O)O.Cl | <BB_194> |
What is the molecular formula for <BB_194>? | The molecular formula for <BB_194> (CNCCc1ccccc1C(=O)O.Cl) is C10H14ClNO2. | |
Describe the ring structures in building block <BB_194>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_194>. | 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_194>. | **Token:** <BB_194>
**SMILES:** CNCCc1ccccc1C(=O)O.Cl
**Molecular Formula:** C10H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic 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_195>. | O=C(O)Cc1cc2ncccn2n1 | |
What is the building block token for the following molecule? | O=C(O)Cc1cc2ncccn2n1 | <BB_195> |
What is the molecular formula for <BB_195>? | The molecular formula for <BB_195> (O=C(O)Cc1cc2ncccn2n1) is C8H7N3O2. | |
Describe the ring structures in building block <BB_195>. | 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_195>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_195>. | **Token:** <BB_195>
**SMILES:** O=C(O)Cc1cc2ncccn2n1
**Molecular Formula:** C8H7N3O2
**Ring System:** The molecule contains 2 ring(s): 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_196>. | Cn1nccc1-c1cccc(N)c1 | |
What is the building block token for the following molecule? | Cn1nccc1-c1cccc(N)c1 | <BB_196> |
What is the molecular formula for <BB_196>? | The molecular formula for <BB_196> (Cn1nccc1-c1cccc(N)c1) is C10H11N3. | |
Describe the ring structures in building block <BB_196>. | 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_196>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_196>. | **Token:** <BB_196>
**SMILES:** Cn1nccc1-c1cccc(N)c1
**Molecular Formula:** C10H11N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_197>. | Cl.O=C(O)[C@@H]1[C@@H]2CNC[C@H]1C2 | |
What is the building block token for the following molecule? | Cl.O=C(O)[C@@H]1[C@@H]2CNC[C@H]1C2 | <BB_197> |
What is the molecular formula for <BB_197>? | The molecular formula for <BB_197> (Cl.O=C(O)[C@@H]1[C@@H]2CNC[C@H]1C2) is C7H12ClNO2. | |
Describe the ring structures in building block <BB_197>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_197>. | 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_197>. | **Token:** <BB_197>
**SMILES:** Cl.O=C(O)[C@@H]1[C@@H]2CNC[C@H]1C2
**Molecular Formula:** C7H12ClNO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, 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_198>. | C[C@]1(N)CCC[C@H]1C(=O)O.Cl | |
What is the building block token for the following molecule? | C[C@]1(N)CCC[C@H]1C(=O)O.Cl | <BB_198> |
What is the molecular formula for <BB_198>? | The molecular formula for <BB_198> (C[C@]1(N)CCC[C@H]1C(=O)O.Cl) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_198>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_198>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_198>. | **Token:** <BB_198>
**SMILES:** C[C@]1(N)CCC[C@H]1C(=O)O.Cl
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_199>. | O=C(O)C1CC12CCCC2 | |
What is the building block token for the following molecule? | O=C(O)C1CC12CCCC2 | <BB_199> |
What is the molecular formula for <BB_199>? | The molecular formula for <BB_199> (O=C(O)C1CC12CCCC2) is C8H12O2. | |
Describe the ring structures in building block <BB_199>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_199>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_199>. | **Token:** <BB_199>
**SMILES:** O=C(O)C1CC12CCCC2
**Molecular Formula:** C8H12O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid |
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