instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1850>. | Nc1cnc(N2CC3CCC(C2)O3)nc1 | |
What is the building block token for the following molecule? | Nc1cnc(N2CC3CCC(C2)O3)nc1 | <BB_1850> |
What is the molecular formula for <BB_1850>? | The molecular formula for <BB_1850> (Nc1cnc(N2CC3CCC(C2)O3)nc1) is C10H14N4O. | |
Describe the ring structures in building block <BB_1850>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1850>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1850>. | **Token:** <BB_1850>
**SMILES:** Nc1cnc(N2CC3CCC(C2)O3)nc1
**Molecular Formula:** C10H14N4O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1851>. | Fc1ccccc1-c1nnc(S)o1 | |
What is the building block token for the following molecule? | Fc1ccccc1-c1nnc(S)o1 | <BB_1851> |
What is the molecular formula for <BB_1851>? | The molecular formula for <BB_1851> (Fc1ccccc1-c1nnc(S)o1) is C8H5FN2OS. | |
Describe the ring structures in building block <BB_1851>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1851>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1851>. | **Token:** <BB_1851>
**SMILES:** Fc1ccccc1-c1nnc(S)o1
**Molecular Formula:** C8H5FN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1852>. | CCSC(C)C(=O)O | |
What is the building block token for the following molecule? | CCSC(C)C(=O)O | <BB_1852> |
What is the molecular formula for <BB_1852>? | The molecular formula for <BB_1852> (CCSC(C)C(=O)O) is C5H10O2S. | |
Describe the ring structures in building block <BB_1852>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1852>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1852>. | **Token:** <BB_1852>
**SMILES:** CCSC(C)C(=O)O
**Molecular Formula:** C5H10O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_1853>. | Cc1sc2ncnc(NCC(=O)O)c2c1C | |
What is the building block token for the following molecule? | Cc1sc2ncnc(NCC(=O)O)c2c1C | <BB_1853> |
What is the molecular formula for <BB_1853>? | The molecular formula for <BB_1853> (Cc1sc2ncnc(NCC(=O)O)c2c1C) is C10H11N3O2S. | |
Describe the ring structures in building block <BB_1853>. | 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_1853>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1853>. | **Token:** <BB_1853>
**SMILES:** Cc1sc2ncnc(NCC(=O)O)c2c1C
**Molecular Formula:** C10H11N3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1854>. | COC(=O)C(Br)c1ccccc1F | |
What is the building block token for the following molecule? | COC(=O)C(Br)c1ccccc1F | <BB_1854> |
What is the molecular formula for <BB_1854>? | The molecular formula for <BB_1854> (COC(=O)C(Br)c1ccccc1F) is C9H8BrFO2. | |
Describe the ring structures in building block <BB_1854>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1854>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1854>. | **Token:** <BB_1854>
**SMILES:** COC(=O)C(Br)c1ccccc1F
**Molecular Formula:** C9H8BrFO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1855>. | O=C(O)[C@H]1CCC(F)(F)C[C@H]1F | |
What is the building block token for the following molecule? | O=C(O)[C@H]1CCC(F)(F)C[C@H]1F | <BB_1855> |
What is the molecular formula for <BB_1855>? | The molecular formula for <BB_1855> (O=C(O)[C@H]1CCC(F)(F)C[C@H]1F) is C7H9F3O2. | |
Describe the ring structures in building block <BB_1855>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1855>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1855>. | **Token:** <BB_1855>
**SMILES:** O=C(O)[C@H]1CCC(F)(F)C[C@H]1F
**Molecular Formula:** C7H9F3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1856>. | COC[C@@H](N)CNC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | COC[C@@H](N)CNC(=O)OC(C)(C)C | <BB_1856> |
What is the molecular formula for <BB_1856>? | The molecular formula for <BB_1856> (COC[C@@H](N)CNC(=O)OC(C)(C)C) is C9H20N2O3. | |
Describe the ring structures in building block <BB_1856>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1856>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1856>. | **Token:** <BB_1856>
**SMILES:** COC[C@@H](N)CNC(=O)OC(C)(C)C
**Molecular Formula:** C9H20N2O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1857>. | Brc1cc2[nH]ncc2cn1.Cl | |
What is the building block token for the following molecule? | Brc1cc2[nH]ncc2cn1.Cl | <BB_1857> |
What is the molecular formula for <BB_1857>? | The molecular formula for <BB_1857> (Brc1cc2[nH]ncc2cn1.Cl) is C6H5BrClN3. | |
Describe the ring structures in building block <BB_1857>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1857>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1857>. | **Token:** <BB_1857>
**SMILES:** Brc1cc2[nH]ncc2cn1.Cl
**Molecular Formula:** C6H5BrClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1858>. | Cn1cc(-c2cc(C(F)(F)F)nc(NN)n2)cn1 | |
What is the building block token for the following molecule? | Cn1cc(-c2cc(C(F)(F)F)nc(NN)n2)cn1 | <BB_1858> |
What is the molecular formula for <BB_1858>? | The molecular formula for <BB_1858> (Cn1cc(-c2cc(C(F)(F)F)nc(NN)n2)cn1) is C9H9F3N6. | |
Describe the ring structures in building block <BB_1858>. | 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_1858>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1858>. | **Token:** <BB_1858>
**SMILES:** Cn1cc(-c2cc(C(F)(F)F)nc(NN)n2)cn1
**Molecular Formula:** C9H9F3N6
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1859>. | COC(=O)C(Br)Cc1ccc(C)cc1 | |
What is the building block token for the following molecule? | COC(=O)C(Br)Cc1ccc(C)cc1 | <BB_1859> |
What is the molecular formula for <BB_1859>? | The molecular formula for <BB_1859> (COC(=O)C(Br)Cc1ccc(C)cc1) is C11H13BrO2. | |
Describe the ring structures in building block <BB_1859>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1859>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1859>. | **Token:** <BB_1859>
**SMILES:** COC(=O)C(Br)Cc1ccc(C)cc1
**Molecular Formula:** C11H13BrO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1860>. | COC(=O)CCN(C)C | |
What is the building block token for the following molecule? | COC(=O)CCN(C)C | <BB_1860> |
What is the molecular formula for <BB_1860>? | The molecular formula for <BB_1860> (COC(=O)CCN(C)C) is C6H13NO2. | |
Describe the ring structures in building block <BB_1860>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1860>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1860>. | **Token:** <BB_1860>
**SMILES:** COC(=O)CCN(C)C
**Molecular Formula:** C6H13NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1861>. | Cc1cn(-c2ccc(Cl)nn2)cn1 | |
What is the building block token for the following molecule? | Cc1cn(-c2ccc(Cl)nn2)cn1 | <BB_1861> |
What is the molecular formula for <BB_1861>? | The molecular formula for <BB_1861> (Cc1cn(-c2ccc(Cl)nn2)cn1) is C8H7ClN4. | |
Describe the ring structures in building block <BB_1861>. | 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_1861>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1861>. | **Token:** <BB_1861>
**SMILES:** Cc1cn(-c2ccc(Cl)nn2)cn1
**Molecular Formula:** C8H7ClN4
**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_1862>. | O=C(O)CCc1c(F)c(F)cc(F)c1F | |
What is the building block token for the following molecule? | O=C(O)CCc1c(F)c(F)cc(F)c1F | <BB_1862> |
What is the molecular formula for <BB_1862>? | The molecular formula for <BB_1862> (O=C(O)CCc1c(F)c(F)cc(F)c1F) is C9H6F4O2. | |
Describe the ring structures in building block <BB_1862>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1862>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1862>. | **Token:** <BB_1862>
**SMILES:** O=C(O)CCc1c(F)c(F)cc(F)c1F
**Molecular Formula:** C9H6F4O2
**Ring System:** The molecule contains 1 ring(s): 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_1863>. | CC(=O)c1ccc(C(N)=O)cc1 | |
What is the building block token for the following molecule? | CC(=O)c1ccc(C(N)=O)cc1 | <BB_1863> |
What is the molecular formula for <BB_1863>? | The molecular formula for <BB_1863> (CC(=O)c1ccc(C(N)=O)cc1) is C9H9NO2. | |
Describe the ring structures in building block <BB_1863>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1863>. | The molecule contains the following groups: Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1863>. | **Token:** <BB_1863>
**SMILES:** CC(=O)c1ccc(C(N)=O)cc1
**Molecular Formula:** C9H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_1864>. | Cc1cc(Cl)nc(C2CC2)n1 | |
What is the building block token for the following molecule? | Cc1cc(Cl)nc(C2CC2)n1 | <BB_1864> |
What is the molecular formula for <BB_1864>? | The molecular formula for <BB_1864> (Cc1cc(Cl)nc(C2CC2)n1) is C8H9ClN2. | |
Describe the ring structures in building block <BB_1864>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1864>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1864>. | **Token:** <BB_1864>
**SMILES:** Cc1cc(Cl)nc(C2CC2)n1
**Molecular Formula:** C8H9ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1865>. | Cc1cc(N2CCCC2)ccc1N | |
What is the building block token for the following molecule? | Cc1cc(N2CCCC2)ccc1N | <BB_1865> |
What is the molecular formula for <BB_1865>? | The molecular formula for <BB_1865> (Cc1cc(N2CCCC2)ccc1N) is C11H16N2. | |
Describe the ring structures in building block <BB_1865>. | 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_1865>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1865>. | **Token:** <BB_1865>
**SMILES:** Cc1cc(N2CCCC2)ccc1N
**Molecular Formula:** C11H16N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1866>. | C=CCn1c(S)nc2cc(C(=O)O)ccc2c1=O | |
What is the building block token for the following molecule? | C=CCn1c(S)nc2cc(C(=O)O)ccc2c1=O | <BB_1866> |
What is the molecular formula for <BB_1866>? | The molecular formula for <BB_1866> (C=CCn1c(S)nc2cc(C(=O)O)ccc2c1=O) is C12H10N2O3S. | |
Describe the ring structures in building block <BB_1866>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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