instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1733>? | The molecular formula for <BB_1733> (Cl.NC[C@@H]1CC[C@H]1CO) is C6H14ClNO. | |
Describe the ring structures in building block <BB_1733>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1733>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1733>. | **Token:** <BB_1733>
**SMILES:** Cl.NC[C@@H]1CC[C@H]1CO
**Molecular Formula:** C6H14ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1734>. | O=Cc1c[nH]c2cc(F)c(F)cc12 | |
What is the building block token for the following molecule? | O=Cc1c[nH]c2cc(F)c(F)cc12 | <BB_1734> |
What is the molecular formula for <BB_1734>? | The molecular formula for <BB_1734> (O=Cc1c[nH]c2cc(F)c(F)cc12) is C9H5F2NO. | |
Describe the ring structures in building block <BB_1734>. | 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_1734>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1734>. | **Token:** <BB_1734>
**SMILES:** O=Cc1c[nH]c2cc(F)c(F)cc12
**Molecular Formula:** C9H5F2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1735>. | O=C([O-])CCOC(F)F.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])CCOC(F)F.[Li+] | <BB_1735> |
What is the molecular formula for <BB_1735>? | The molecular formula for <BB_1735> (O=C([O-])CCOC(F)F.[Li+]) is C4H5F2LiO3. | |
Describe the ring structures in building block <BB_1735>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1735>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1735>. | **Token:** <BB_1735>
**SMILES:** O=C([O-])CCOC(F)F.[Li+]
**Molecular Formula:** C4H5F2LiO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1736>. | COC(=O)C(C)(C)O | |
What is the building block token for the following molecule? | COC(=O)C(C)(C)O | <BB_1736> |
What is the molecular formula for <BB_1736>? | The molecular formula for <BB_1736> (COC(=O)C(C)(C)O) is C5H10O3. | |
Describe the ring structures in building block <BB_1736>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1736>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1736>. | **Token:** <BB_1736>
**SMILES:** COC(=O)C(C)(C)O
**Molecular Formula:** C5H10O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1737>. | COC(=O)c1cc2ncnc(N)n2n1 | |
What is the building block token for the following molecule? | COC(=O)c1cc2ncnc(N)n2n1 | <BB_1737> |
What is the molecular formula for <BB_1737>? | The molecular formula for <BB_1737> (COC(=O)c1cc2ncnc(N)n2n1) is C7H7N5O2. | |
Describe the ring structures in building block <BB_1737>. | 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_1737>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1737>. | **Token:** <BB_1737>
**SMILES:** COC(=O)c1cc2ncnc(N)n2n1
**Molecular Formula:** C7H7N5O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1738>. | N#Cc1cc(C=O)cs1 | |
What is the building block token for the following molecule? | N#Cc1cc(C=O)cs1 | <BB_1738> |
What is the molecular formula for <BB_1738>? | The molecular formula for <BB_1738> (N#Cc1cc(C=O)cs1) is C6H3NOS. | |
Describe the ring structures in building block <BB_1738>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1738>. | The molecule contains the following groups: Aldehyde, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1738>. | **Token:** <BB_1738>
**SMILES:** N#Cc1cc(C=O)cs1
**Molecular Formula:** C6H3NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Nitrile | |
Provide the SMILES representation for the building block token <BB_1739>. | OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O | |
What is the building block token for the following molecule? | OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O | <BB_1739> |
What is the molecular formula for <BB_1739>? | The molecular formula for <BB_1739> (OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O) is C10H11ClN4O4. | |
Describe the ring structures in building block <BB_1739>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1739>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1739>. | **Token:** <BB_1739>
**SMILES:** OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O
**Molecular Formula:** C10H11ClN4O4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1740>. | COC(=O)c1cc(C)sc1N | |
What is the building block token for the following molecule? | COC(=O)c1cc(C)sc1N | <BB_1740> |
What is the molecular formula for <BB_1740>? | The molecular formula for <BB_1740> (COC(=O)c1cc(C)sc1N) is C7H9NO2S. | |
Describe the ring structures in building block <BB_1740>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1740>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1740>. | **Token:** <BB_1740>
**SMILES:** COC(=O)c1cc(C)sc1N
**Molecular Formula:** C7H9NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1741>. | Cl.NC[C@H]1CCCC[C@H]1O | |
What is the building block token for the following molecule? | Cl.NC[C@H]1CCCC[C@H]1O | <BB_1741> |
What is the molecular formula for <BB_1741>? | The molecular formula for <BB_1741> (Cl.NC[C@H]1CCCC[C@H]1O) is C7H16ClNO. | |
Describe the ring structures in building block <BB_1741>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1741>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1741>. | **Token:** <BB_1741>
**SMILES:** Cl.NC[C@H]1CCCC[C@H]1O
**Molecular Formula:** C7H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1742>. | COc1ccc(NC(N)=S)cc1Cl | |
What is the building block token for the following molecule? | COc1ccc(NC(N)=S)cc1Cl | <BB_1742> |
What is the molecular formula for <BB_1742>? | The molecular formula for <BB_1742> (COc1ccc(NC(N)=S)cc1Cl) is C8H9ClN2OS. | |
Describe the ring structures in building block <BB_1742>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1742>. | The molecule contains the following groups: Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1742>. | **Token:** <BB_1742>
**SMILES:** COc1ccc(NC(N)=S)cc1Cl
**Molecular Formula:** C8H9ClN2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1743>. | NC1CCCCCC1c1ccccc1 | |
What is the building block token for the following molecule? | NC1CCCCCC1c1ccccc1 | <BB_1743> |
What is the molecular formula for <BB_1743>? | The molecular formula for <BB_1743> (NC1CCCCCC1c1ccccc1) is C13H19N. | |
Describe the ring structures in building block <BB_1743>. | 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_1743>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1743>. | **Token:** <BB_1743>
**SMILES:** NC1CCCCCC1c1ccccc1
**Molecular Formula:** C13H19N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1744>. | Cc1cnc(NC(=O)CCC2CCCC2)s1 | |
What is the building block token for the following molecule? | Cc1cnc(NC(=O)CCC2CCCC2)s1 | <BB_1744> |
What is the molecular formula for <BB_1744>? | The molecular formula for <BB_1744> (Cc1cnc(NC(=O)CCC2CCCC2)s1) is C12H18N2OS. | |
Describe the ring structures in building block <BB_1744>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1744>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1744>. | **Token:** <BB_1744>
**SMILES:** Cc1cnc(NC(=O)CCC2CCCC2)s1
**Molecular Formula:** C12H18N2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1745>. | OC[C@@H]1CCCO1 | |
What is the building block token for the following molecule? | OC[C@@H]1CCCO1 | <BB_1745> |
What is the molecular formula for <BB_1745>? | The molecular formula for <BB_1745> (OC[C@@H]1CCCO1) is C5H10O2. | |
Describe the ring structures in building block <BB_1745>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1745>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1745>. | **Token:** <BB_1745>
**SMILES:** OC[C@@H]1CCCO1
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1746>. | CSc1ncc(Br)c(Cl)n1 | |
What is the building block token for the following molecule? | CSc1ncc(Br)c(Cl)n1 | <BB_1746> |
What is the molecular formula for <BB_1746>? | The molecular formula for <BB_1746> (CSc1ncc(Br)c(Cl)n1) is C5H4BrClN2S. | |
Describe the ring structures in building block <BB_1746>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1746>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1746>. | **Token:** <BB_1746>
**SMILES:** CSc1ncc(Br)c(Cl)n1
**Molecular Formula:** C5H4BrClN2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1747>. | N[C@@H](C(=O)O)c1ccccc1 | |
What is the building block token for the following molecule? | N[C@@H](C(=O)O)c1ccccc1 | <BB_1747> |
What is the molecular formula for <BB_1747>? | The molecular formula for <BB_1747> (N[C@@H](C(=O)O)c1ccccc1) is C8H9NO2. | |
Describe the ring structures in building block <BB_1747>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1747>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1747>. | **Token:** <BB_1747>
**SMILES:** N[C@@H](C(=O)O)c1ccccc1
**Molecular Formula:** C8H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_1748>. | O=C1C(=O)c2ccc(Br)cc2-c2ccccc21 | |
What is the building block token for the following molecule? | O=C1C(=O)c2ccc(Br)cc2-c2ccccc21 | <BB_1748> |
What is the molecular formula for <BB_1748>? | The molecular formula for <BB_1748> (O=C1C(=O)c2ccc(Br)cc2-c2ccccc21) is C14H7BrO2. | |
Describe the ring structures in building block <BB_1748>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1748>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1748>. | **Token:** <BB_1748>
**SMILES:** O=C1C(=O)c2ccc(Br)cc2-c2ccccc21
**Molecular Formula:** C14H7BrO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1749>. | CC1(C#N)CCOc2ccccc21 | |
What is the building block token for the following molecule? | CC1(C#N)CCOc2ccccc21 | <BB_1749> |
What is the molecular formula for <BB_1749>? | The molecular formula for <BB_1749> (CC1(C#N)CCOc2ccccc21) is C11H11NO. | |
Describe the ring structures in building block <BB_1749>. | 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_1749>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1749>. | **Token:** <BB_1749>
**SMILES:** CC1(C#N)CCOc2ccccc21
**Molecular Formula:** C11H11NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Nitrile |
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