instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9066>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9066>. | **Token:** <BB_9066>
**SMILES:** CC1(CN)CN(Cc2ccccc2)C1.Cl.Cl
**Molecular Formula:** C12H20Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9067>. | Cn1cc(-c2ccccc2Cl)cn1 | |
What is the building block token for the following molecule? | Cn1cc(-c2ccccc2Cl)cn1 | <BB_9067> |
What is the molecular formula for <BB_9067>? | The molecular formula for <BB_9067> (Cn1cc(-c2ccccc2Cl)cn1) is C10H9ClN2. | |
Describe the ring structures in building block <BB_9067>. | 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_9067>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9067>. | **Token:** <BB_9067>
**SMILES:** Cn1cc(-c2ccccc2Cl)cn1
**Molecular Formula:** C10H9ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9068>. | O=C(ON1C(=O)c2ccccc2C1=O)c1ccco1 | |
What is the building block token for the following molecule? | O=C(ON1C(=O)c2ccccc2C1=O)c1ccco1 | <BB_9068> |
What is the molecular formula for <BB_9068>? | The molecular formula for <BB_9068> (O=C(ON1C(=O)c2ccccc2C1=O)c1ccco1) is C13H7NO5. | |
Describe the ring structures in building block <BB_9068>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9068>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9068>. | **Token:** <BB_9068>
**SMILES:** O=C(ON1C(=O)c2ccccc2C1=O)c1ccco1
**Molecular Formula:** C13H7NO5
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9069>. | CC(CN)S(C)(=O)=O | |
What is the building block token for the following molecule? | CC(CN)S(C)(=O)=O | <BB_9069> |
What is the molecular formula for <BB_9069>? | The molecular formula for <BB_9069> (CC(CN)S(C)(=O)=O) is C4H11NO2S. | |
Describe the ring structures in building block <BB_9069>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9069>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9069>. | **Token:** <BB_9069>
**SMILES:** CC(CN)S(C)(=O)=O
**Molecular Formula:** C4H11NO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9070>. | Cl.Cl.Cn1cnc(CC(N)CO)c1 | |
What is the building block token for the following molecule? | Cl.Cl.Cn1cnc(CC(N)CO)c1 | <BB_9070> |
What is the molecular formula for <BB_9070>? | The molecular formula for <BB_9070> (Cl.Cl.Cn1cnc(CC(N)CO)c1) is C7H15Cl2N3O. | |
Describe the ring structures in building block <BB_9070>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9070>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9070>. | **Token:** <BB_9070>
**SMILES:** Cl.Cl.Cn1cnc(CC(N)CO)c1
**Molecular Formula:** C7H15Cl2N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9071>. | Cc1nc(C)n(CCCCCCl)n1.Cl | |
What is the building block token for the following molecule? | Cc1nc(C)n(CCCCCCl)n1.Cl | <BB_9071> |
What is the molecular formula for <BB_9071>? | The molecular formula for <BB_9071> (Cc1nc(C)n(CCCCCCl)n1.Cl) is C9H17Cl2N3. | |
Describe the ring structures in building block <BB_9071>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9071>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9071>. | **Token:** <BB_9071>
**SMILES:** Cc1nc(C)n(CCCCCCl)n1.Cl
**Molecular Formula:** C9H17Cl2N3
**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_9072>. | CS(=O)(=O)C1(C=O)CCOCC1 | |
What is the building block token for the following molecule? | CS(=O)(=O)C1(C=O)CCOCC1 | <BB_9072> |
What is the molecular formula for <BB_9072>? | The molecular formula for <BB_9072> (CS(=O)(=O)C1(C=O)CCOCC1) is C7H12O4S. | |
Describe the ring structures in building block <BB_9072>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9072>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9072>. | **Token:** <BB_9072>
**SMILES:** CS(=O)(=O)C1(C=O)CCOCC1
**Molecular Formula:** C7H12O4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9073>. | O=C(O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 | |
What is the building block token for the following molecule? | O=C(O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 | <BB_9073> |
What is the molecular formula for <BB_9073>? | The molecular formula for <BB_9073> (O=C(O)C1CCN(C(=O)c2ccc(F)cc2F)CC1) is C13H13F2NO3. | |
Describe the ring structures in building block <BB_9073>. | 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_9073>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9073>. | **Token:** <BB_9073>
**SMILES:** O=C(O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
**Molecular Formula:** C13H13F2NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9074>. | NC(CC1CC1)c1ccccc1 | |
What is the building block token for the following molecule? | NC(CC1CC1)c1ccccc1 | <BB_9074> |
What is the molecular formula for <BB_9074>? | The molecular formula for <BB_9074> (NC(CC1CC1)c1ccccc1) is C11H15N. | |
Describe the ring structures in building block <BB_9074>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9074>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9074>. | **Token:** <BB_9074>
**SMILES:** NC(CC1CC1)c1ccccc1
**Molecular Formula:** C11H15N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9075>. | CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)O | <BB_9075> |
What is the molecular formula for <BB_9075>? | The molecular formula for <BB_9075> (CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)O) is C13H23NO4. | |
Describe the ring structures in building block <BB_9075>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9075>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9075>. | **Token:** <BB_9075>
**SMILES:** CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)O
**Molecular Formula:** C13H23NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9076>. | CC(C)(C)OC(=O)NC(C=O)CC1CCOCC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(C=O)CC1CCOCC1 | <BB_9076> |
What is the molecular formula for <BB_9076>? | The molecular formula for <BB_9076> (CC(C)(C)OC(=O)NC(C=O)CC1CCOCC1) is C13H23NO4. | |
Describe the ring structures in building block <BB_9076>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9076>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9076>. | **Token:** <BB_9076>
**SMILES:** CC(C)(C)OC(=O)NC(C=O)CC1CCOCC1
**Molecular Formula:** C13H23NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9077>. | C1COCCN1.Cl | |
What is the building block token for the following molecule? | C1COCCN1.Cl | <BB_9077> |
What is the molecular formula for <BB_9077>? | The molecular formula for <BB_9077> (C1COCCN1.Cl) is C4H10ClNO. | |
Describe the ring structures in building block <BB_9077>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9077>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9077>. | **Token:** <BB_9077>
**SMILES:** C1COCCN1.Cl
**Molecular Formula:** C4H10ClNO
**Ring System:** The molecule contains 1 ring(s): 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_9078>. | O=C1NCCCc2cccnc21 | |
What is the building block token for the following molecule? | O=C1NCCCc2cccnc21 | <BB_9078> |
What is the molecular formula for <BB_9078>? | The molecular formula for <BB_9078> (O=C1NCCCc2cccnc21) is C9H10N2O. | |
Describe the ring structures in building block <BB_9078>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9078>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9078>. | **Token:** <BB_9078>
**SMILES:** O=C1NCCCc2cccnc21
**Molecular Formula:** C9H10N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9079>. | O=Cc1cc(-c2ccoc2)on1 | |
What is the building block token for the following molecule? | O=Cc1cc(-c2ccoc2)on1 | <BB_9079> |
What is the molecular formula for <BB_9079>? | The molecular formula for <BB_9079> (O=Cc1cc(-c2ccoc2)on1) is C8H5NO3. | |
Describe the ring structures in building block <BB_9079>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9079>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9079>. | **Token:** <BB_9079>
**SMILES:** O=Cc1cc(-c2ccoc2)on1
**Molecular Formula:** C8H5NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9080>. | NC1CCN(CCc2ccccc2)CC1 | |
What is the building block token for the following molecule? | NC1CCN(CCc2ccccc2)CC1 | <BB_9080> |
What is the molecular formula for <BB_9080>? | The molecular formula for <BB_9080> (NC1CCN(CCc2ccccc2)CC1) is C13H20N2. | |
Describe the ring structures in building block <BB_9080>. | 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_9080>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9080>. | **Token:** <BB_9080>
**SMILES:** NC1CCN(CCc2ccccc2)CC1
**Molecular Formula:** C13H20N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9081>. | CC[SiH](CC)CC | |
What is the building block token for the following molecule? | CC[SiH](CC)CC | <BB_9081> |
What is the molecular formula for <BB_9081>? | The molecular formula for <BB_9081> (CC[SiH](CC)CC) is C6H16Si. | |
Describe the ring structures in building block <BB_9081>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9081>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9081>. | **Token:** <BB_9081>
**SMILES:** CC[SiH](CC)CC
**Molecular Formula:** C6H16Si
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9082>. | CCc1ccccc1NC(=O)CN1CCNCC1 | |
What is the building block token for the following molecule? | CCc1ccccc1NC(=O)CN1CCNCC1 | <BB_9082> |
What is the molecular formula for <BB_9082>? | The molecular formula for <BB_9082> (CCc1ccccc1NC(=O)CN1CCNCC1) is C14H21N3O. | |
Describe the ring structures in building block <BB_9082>. | 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_9082>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9082>. | **Token:** <BB_9082>
**SMILES:** CCc1ccccc1NC(=O)CN1CCNCC1
**Molecular Formula:** C14H21N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9083>. | COC(OC)C(O)Cc1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | COC(OC)C(O)Cc1ccc(Cl)cc1 | <BB_9083> |
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