instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1833>? | The molecular formula for <BB_1833> (O=[N+]([O-])c1ccc(O)cc1Cl) is C6H4ClNO3. | |
Describe the ring structures in building block <BB_1833>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1833>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1833>. | **Token:** <BB_1833>
**SMILES:** O=[N+]([O-])c1ccc(O)cc1Cl
**Molecular Formula:** C6H4ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1834>. | O=S1(=O)CC2CCN1C2 | |
What is the building block token for the following molecule? | O=S1(=O)CC2CCN1C2 | <BB_1834> |
What is the molecular formula for <BB_1834>? | The molecular formula for <BB_1834> (O=S1(=O)CC2CCN1C2) is C5H9NO2S. | |
Describe the ring structures in building block <BB_1834>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1834>. | The molecule contains the following groups: Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1834>. | **Token:** <BB_1834>
**SMILES:** O=S1(=O)CC2CCN1C2
**Molecular Formula:** C5H9NO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1835>. | CNC(=O)C1(C)CCN(Cc2ccccc2)C1 | |
What is the building block token for the following molecule? | CNC(=O)C1(C)CCN(Cc2ccccc2)C1 | <BB_1835> |
What is the molecular formula for <BB_1835>? | The molecular formula for <BB_1835> (CNC(=O)C1(C)CCN(Cc2ccccc2)C1) is C14H20N2O. | |
Describe the ring structures in building block <BB_1835>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1835>. | The molecule contains the following groups: Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1835>. | **Token:** <BB_1835>
**SMILES:** CNC(=O)C1(C)CCN(Cc2ccccc2)C1
**Molecular Formula:** C14H20N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1836>. | CSCCON | |
What is the building block token for the following molecule? | CSCCON | <BB_1836> |
What is the molecular formula for <BB_1836>? | The molecular formula for <BB_1836> (CSCCON) is C3H9NOS. | |
Describe the ring structures in building block <BB_1836>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1836>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1836>. | **Token:** <BB_1836>
**SMILES:** CSCCON
**Molecular Formula:** C3H9NOS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_1837>. | N#Cc1ccccc1S | |
What is the building block token for the following molecule? | N#Cc1ccccc1S | <BB_1837> |
What is the molecular formula for <BB_1837>? | The molecular formula for <BB_1837> (N#Cc1ccccc1S) is C7H5NS. | |
Describe the ring structures in building block <BB_1837>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1837>. | The molecule contains the following groups: Thiol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1837>. | **Token:** <BB_1837>
**SMILES:** N#Cc1ccccc1S
**Molecular Formula:** C7H5NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Thiol, Nitrile | |
Provide the SMILES representation for the building block token <BB_1838>. | Cl.O=S(=O)(C1CC1)N1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=S(=O)(C1CC1)N1CCNCC1 | <BB_1838> |
What is the molecular formula for <BB_1838>? | The molecular formula for <BB_1838> (Cl.O=S(=O)(C1CC1)N1CCNCC1) is C7H15ClN2O2S. | |
Describe the ring structures in building block <BB_1838>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1838>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1838>. | **Token:** <BB_1838>
**SMILES:** Cl.O=S(=O)(C1CC1)N1CCNCC1
**Molecular Formula:** C7H15ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1839>. | O=C(O)C12CC(c3ccc(O)cc3)(C1)C2 | |
What is the building block token for the following molecule? | O=C(O)C12CC(c3ccc(O)cc3)(C1)C2 | <BB_1839> |
What is the molecular formula for <BB_1839>? | The molecular formula for <BB_1839> (O=C(O)C12CC(c3ccc(O)cc3)(C1)C2) is C12H12O3. | |
Describe the ring structures in building block <BB_1839>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1839>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1839>. | **Token:** <BB_1839>
**SMILES:** O=C(O)C12CC(c3ccc(O)cc3)(C1)C2
**Molecular Formula:** C12H12O3
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1840>. | O=c1[nH]cnc2c(Cl)cc(Cl)cc12 | |
What is the building block token for the following molecule? | O=c1[nH]cnc2c(Cl)cc(Cl)cc12 | <BB_1840> |
What is the molecular formula for <BB_1840>? | The molecular formula for <BB_1840> (O=c1[nH]cnc2c(Cl)cc(Cl)cc12) is C8H4Cl2N2O. | |
Describe the ring structures in building block <BB_1840>. | 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_1840>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1840>. | **Token:** <BB_1840>
**SMILES:** O=c1[nH]cnc2c(Cl)cc(Cl)cc12
**Molecular Formula:** C8H4Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1841>. | NCC1CC=CCC1 | |
What is the building block token for the following molecule? | NCC1CC=CCC1 | <BB_1841> |
What is the molecular formula for <BB_1841>? | The molecular formula for <BB_1841> (NCC1CC=CCC1) is C7H13N. | |
Describe the ring structures in building block <BB_1841>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1841>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1841>. | **Token:** <BB_1841>
**SMILES:** NCC1CC=CCC1
**Molecular Formula:** C7H13N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1842>. | CN1C(=O)NC(=O)C1=O | |
What is the building block token for the following molecule? | CN1C(=O)NC(=O)C1=O | <BB_1842> |
What is the molecular formula for <BB_1842>? | The molecular formula for <BB_1842> (CN1C(=O)NC(=O)C1=O) is C4H4N2O3. | |
Describe the ring structures in building block <BB_1842>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1842>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1842>. | **Token:** <BB_1842>
**SMILES:** CN1C(=O)NC(=O)C1=O
**Molecular Formula:** C4H4N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1843>. | CCOC(=O)C(=O)C1CCOCC1 | |
What is the building block token for the following molecule? | CCOC(=O)C(=O)C1CCOCC1 | <BB_1843> |
What is the molecular formula for <BB_1843>? | The molecular formula for <BB_1843> (CCOC(=O)C(=O)C1CCOCC1) is C9H14O4. | |
Describe the ring structures in building block <BB_1843>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1843>. | The molecule contains the following groups: Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1843>. | **Token:** <BB_1843>
**SMILES:** CCOC(=O)C(=O)C1CCOCC1
**Molecular Formula:** C9H14O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1844>. | N#Cc1ccccc1COc1ccc(C=O)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccccc1COc1ccc(C=O)cc1 | <BB_1844> |
What is the molecular formula for <BB_1844>? | The molecular formula for <BB_1844> (N#Cc1ccccc1COc1ccc(C=O)cc1) is C15H11NO2. | |
Describe the ring structures in building block <BB_1844>. | 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_1844>. | The molecule contains the following groups: Aldehyde, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1844>. | **Token:** <BB_1844>
**SMILES:** N#Cc1ccccc1COc1ccc(C=O)cc1
**Molecular Formula:** C15H11NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_1845>. | Clc1c(Br)cccc1OCC1CC1 | |
What is the building block token for the following molecule? | Clc1c(Br)cccc1OCC1CC1 | <BB_1845> |
What is the molecular formula for <BB_1845>? | The molecular formula for <BB_1845> (Clc1c(Br)cccc1OCC1CC1) is C10H10BrClO. | |
Describe the ring structures in building block <BB_1845>. | 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_1845>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1845>. | **Token:** <BB_1845>
**SMILES:** Clc1c(Br)cccc1OCC1CC1
**Molecular Formula:** C10H10BrClO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1846>. | CCCS(=O)(=O)NOC | |
What is the building block token for the following molecule? | CCCS(=O)(=O)NOC | <BB_1846> |
What is the molecular formula for <BB_1846>? | The molecular formula for <BB_1846> (CCCS(=O)(=O)NOC) is C4H11NO3S. | |
Describe the ring structures in building block <BB_1846>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1846>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1846>. | **Token:** <BB_1846>
**SMILES:** CCCS(=O)(=O)NOC
**Molecular Formula:** C4H11NO3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1847>. | COCC1(B2OC(C)(C)C(C)(C)O2)CC1 | |
What is the building block token for the following molecule? | COCC1(B2OC(C)(C)C(C)(C)O2)CC1 | <BB_1847> |
What is the molecular formula for <BB_1847>? | The molecular formula for <BB_1847> (COCC1(B2OC(C)(C)C(C)(C)O2)CC1) is C11H21BO3. | |
Describe the ring structures in building block <BB_1847>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1847>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1847>. | **Token:** <BB_1847>
**SMILES:** COCC1(B2OC(C)(C)C(C)(C)O2)CC1
**Molecular Formula:** C11H21BO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1848>. | NCC1(CO)COCCN1 | |
What is the building block token for the following molecule? | NCC1(CO)COCCN1 | <BB_1848> |
What is the molecular formula for <BB_1848>? | The molecular formula for <BB_1848> (NCC1(CO)COCCN1) is C6H14N2O2. | |
Describe the ring structures in building block <BB_1848>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1848>. | The molecule contains the following groups: Amine, Secondary Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1848>. | **Token:** <BB_1848>
**SMILES:** NCC1(CO)COCCN1
**Molecular Formula:** C6H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1849>. | CC1(C(=O)O)CC(CN)C1.Cl | |
What is the building block token for the following molecule? | CC1(C(=O)O)CC(CN)C1.Cl | <BB_1849> |
What is the molecular formula for <BB_1849>? | The molecular formula for <BB_1849> (CC1(C(=O)O)CC(CN)C1.Cl) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_1849>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1849>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1849>. | **Token:** <BB_1849>
**SMILES:** CC1(C(=O)O)CC(CN)C1.Cl
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) |
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