instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_633>? | The molecular formula for <BB_633> (O=S(=O)(Cl)c1cc2c(Br)cncc2s1) is C7H3BrClNO2S2. | |
Describe the ring structures in building block <BB_633>. | 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_633>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_633>. | **Token:** <BB_633>
**SMILES:** O=S(=O)(Cl)c1cc2c(Br)cncc2s1
**Molecular Formula:** C7H3BrClNO2S2
**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_634>. | CCc1nc(C)c(C(=O)O)o1 | |
What is the building block token for the following molecule? | CCc1nc(C)c(C(=O)O)o1 | <BB_634> |
What is the molecular formula for <BB_634>? | The molecular formula for <BB_634> (CCc1nc(C)c(C(=O)O)o1) is C7H9NO3. | |
Describe the ring structures in building block <BB_634>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_634>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_634>. | **Token:** <BB_634>
**SMILES:** CCc1nc(C)c(C(=O)O)o1
**Molecular Formula:** C7H9NO3
**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_635>. | O=C(O)c1cccc2nc(O)ccc12 | |
What is the building block token for the following molecule? | O=C(O)c1cccc2nc(O)ccc12 | <BB_635> |
What is the molecular formula for <BB_635>? | The molecular formula for <BB_635> (O=C(O)c1cccc2nc(O)ccc12) is C10H7NO3. | |
Describe the ring structures in building block <BB_635>. | 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_635>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_635>. | **Token:** <BB_635>
**SMILES:** O=C(O)c1cccc2nc(O)ccc12
**Molecular Formula:** C10H7NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_636>. | NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 | |
What is the building block token for the following molecule? | NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 | <BB_636> |
What is the molecular formula for <BB_636>? | The molecular formula for <BB_636> (NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1) is C14H18N4. | |
Describe the ring structures in building block <BB_636>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_636>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_636>. | **Token:** <BB_636>
**SMILES:** NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
**Molecular Formula:** C14H18N4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, 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_637>. | CNC=Nc1ccc(C)cc1C.Cl | |
What is the building block token for the following molecule? | CNC=Nc1ccc(C)cc1C.Cl | <BB_637> |
What is the molecular formula for <BB_637>? | The molecular formula for <BB_637> (CNC=Nc1ccc(C)cc1C.Cl) is C10H15ClN2. | |
Describe the ring structures in building block <BB_637>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_637>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_637>. | **Token:** <BB_637>
**SMILES:** CNC=Nc1ccc(C)cc1C.Cl
**Molecular Formula:** C10H15ClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_638>. | FC(F)CNC1CCOCC1 | |
What is the building block token for the following molecule? | FC(F)CNC1CCOCC1 | <BB_638> |
What is the molecular formula for <BB_638>? | The molecular formula for <BB_638> (FC(F)CNC1CCOCC1) is C7H13F2NO. | |
Describe the ring structures in building block <BB_638>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_638>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_638>. | **Token:** <BB_638>
**SMILES:** FC(F)CNC1CCOCC1
**Molecular Formula:** C7H13F2NO
**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_639>. | O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1 | |
What is the building block token for the following molecule? | O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1 | <BB_639> |
What is the molecular formula for <BB_639>? | The molecular formula for <BB_639> (O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1) is C10H6F3NO2. | |
Describe the ring structures in building block <BB_639>. | 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_639>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_639>. | **Token:** <BB_639>
**SMILES:** O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1
**Molecular Formula:** C10H6F3NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_640>. | COc1ccccc1C(CN)N(C)C | |
What is the building block token for the following molecule? | COc1ccccc1C(CN)N(C)C | <BB_640> |
What is the molecular formula for <BB_640>? | The molecular formula for <BB_640> (COc1ccccc1C(CN)N(C)C) is C11H18N2O. | |
Describe the ring structures in building block <BB_640>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_640>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_640>. | **Token:** <BB_640>
**SMILES:** COc1ccccc1C(CN)N(C)C
**Molecular Formula:** C11H18N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_641>. | CN(C)C(=O)c1cnc(Cl)cn1 | |
What is the building block token for the following molecule? | CN(C)C(=O)c1cnc(Cl)cn1 | <BB_641> |
What is the molecular formula for <BB_641>? | The molecular formula for <BB_641> (CN(C)C(=O)c1cnc(Cl)cn1) is C7H8ClN3O. | |
Describe the ring structures in building block <BB_641>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_641>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_641>. | **Token:** <BB_641>
**SMILES:** CN(C)C(=O)c1cnc(Cl)cn1
**Molecular Formula:** C7H8ClN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_642>. | CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O | <BB_642> |
What is the molecular formula for <BB_642>? | The molecular formula for <BB_642> (CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O) is C9H17NO6S. | |
Describe the ring structures in building block <BB_642>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_642>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_642>. | **Token:** <BB_642>
**SMILES:** CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O
**Molecular Formula:** C9H17NO6S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_643>. | COc1cc(C(=O)O)cc([N+](=O)[O-])c1I | |
What is the building block token for the following molecule? | COc1cc(C(=O)O)cc([N+](=O)[O-])c1I | <BB_643> |
What is the molecular formula for <BB_643>? | The molecular formula for <BB_643> (COc1cc(C(=O)O)cc([N+](=O)[O-])c1I) is C8H6INO5. | |
Describe the ring structures in building block <BB_643>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_643>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_643>. | **Token:** <BB_643>
**SMILES:** COc1cc(C(=O)O)cc([N+](=O)[O-])c1I
**Molecular Formula:** C8H6INO5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_644>. | Cl.O=C(O)C(=O)Nc1ncc[nH]1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C(=O)Nc1ncc[nH]1 | <BB_644> |
What is the molecular formula for <BB_644>? | The molecular formula for <BB_644> (Cl.O=C(O)C(=O)Nc1ncc[nH]1) is C5H6ClN3O3. | |
Describe the ring structures in building block <BB_644>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_644>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_644>. | **Token:** <BB_644>
**SMILES:** Cl.O=C(O)C(=O)Nc1ncc[nH]1
**Molecular Formula:** C5H6ClN3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_645>. | Cn1cnc2c(Cl)nc(N)nc21 | |
What is the building block token for the following molecule? | Cn1cnc2c(Cl)nc(N)nc21 | <BB_645> |
What is the molecular formula for <BB_645>? | The molecular formula for <BB_645> (Cn1cnc2c(Cl)nc(N)nc21) is C6H6ClN5. | |
Describe the ring structures in building block <BB_645>. | 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_645>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_645>. | **Token:** <BB_645>
**SMILES:** Cn1cnc2c(Cl)nc(N)nc21
**Molecular Formula:** C6H6ClN5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_646>. | Cc1ccc2c(c1)CCC2(C)N.Cl | |
What is the building block token for the following molecule? | Cc1ccc2c(c1)CCC2(C)N.Cl | <BB_646> |
What is the molecular formula for <BB_646>? | The molecular formula for <BB_646> (Cc1ccc2c(c1)CCC2(C)N.Cl) is C11H16ClN. | |
Describe the ring structures in building block <BB_646>. | 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_646>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_646>. | **Token:** <BB_646>
**SMILES:** Cc1ccc2c(c1)CCC2(C)N.Cl
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_647>. | Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F | |
What is the building block token for the following molecule? | Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F | <BB_647> |
What is the molecular formula for <BB_647>? | The molecular formula for <BB_647> (Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F) is C11H11ClF3NO2. | |
Describe the ring structures in building block <BB_647>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_647>. | 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_647>. | **Token:** <BB_647>
**SMILES:** Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F
**Molecular Formula:** C11H11ClF3NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_648>. | COC(=O)c1cccc(N=[N+]=[N-])c1C | |
What is the building block token for the following molecule? | COC(=O)c1cccc(N=[N+]=[N-])c1C | <BB_648> |
What is the molecular formula for <BB_648>? | The molecular formula for <BB_648> (COC(=O)c1cccc(N=[N+]=[N-])c1C) is C9H9N3O2. | |
Describe the ring structures in building block <BB_648>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_648>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_648>. | **Token:** <BB_648>
**SMILES:** COC(=O)c1cccc(N=[N+]=[N-])c1C
**Molecular Formula:** C9H9N3O2
**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_649>. | Nc1ncc([N+](=O)[O-])cc1C(=O)O | |
What is the building block token for the following molecule? | Nc1ncc([N+](=O)[O-])cc1C(=O)O | <BB_649> |
What is the molecular formula for <BB_649>? | The molecular formula for <BB_649> (Nc1ncc([N+](=O)[O-])cc1C(=O)O) is C6H5N3O4. | |
Describe the ring structures in building block <BB_649>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_649>. | The molecule contains the following groups: Carboxylic Acid, Amine, Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_649>. | **Token:** <BB_649>
**SMILES:** Nc1ncc([N+](=O)[O-])cc1C(=O)O
**Molecular Formula:** C6H5N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Tertiary Amine, Nitro |
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