instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_83>? | The molecular formula for <BB_83> (O=C([O-])c1nc(C2CC2)cs1.[Na+]) is C7H6NNaO2S. | |
Describe the ring structures in building block <BB_83>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_83>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_83>. | **Token:** <BB_83>
**SMILES:** O=C([O-])c1nc(C2CC2)cs1.[Na+]
**Molecular Formula:** C7H6NNaO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_84>. | Cl.NC1CCCC(C2CC2)C1 | |
What is the building block token for the following molecule? | Cl.NC1CCCC(C2CC2)C1 | <BB_84> |
What is the molecular formula for <BB_84>? | The molecular formula for <BB_84> (Cl.NC1CCCC(C2CC2)C1) is C9H18ClN. | |
Describe the ring structures in building block <BB_84>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_84>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_84>. | **Token:** <BB_84>
**SMILES:** Cl.NC1CCCC(C2CC2)C1
**Molecular Formula:** C9H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_85>. | CC(=O)c1ccc(Cl)c(F)c1 | |
What is the building block token for the following molecule? | CC(=O)c1ccc(Cl)c(F)c1 | <BB_85> |
What is the molecular formula for <BB_85>? | The molecular formula for <BB_85> (CC(=O)c1ccc(Cl)c(F)c1) is C8H6ClFO. | |
Describe the ring structures in building block <BB_85>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_85>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_85>. | **Token:** <BB_85>
**SMILES:** CC(=O)c1ccc(Cl)c(F)c1
**Molecular Formula:** C8H6ClFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_86>. | CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl | |
What is the building block token for the following molecule? | CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl | <BB_86> |
What is the molecular formula for <BB_86>? | The molecular formula for <BB_86> (CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl) is C10H17Cl2N3O2. | |
Describe the ring structures in building block <BB_86>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_86>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_86>. | **Token:** <BB_86>
**SMILES:** CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl
**Molecular Formula:** C10H17Cl2N3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_87>. | COc1cccc(O)c1OCCN.Cl | |
What is the building block token for the following molecule? | COc1cccc(O)c1OCCN.Cl | <BB_87> |
What is the molecular formula for <BB_87>? | The molecular formula for <BB_87> (COc1cccc(O)c1OCCN.Cl) is C9H14ClNO3. | |
Describe the ring structures in building block <BB_87>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_87>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_87>. | **Token:** <BB_87>
**SMILES:** COc1cccc(O)c1OCCN.Cl
**Molecular Formula:** C9H14ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_88>. | CCOCCCS | |
What is the building block token for the following molecule? | CCOCCCS | <BB_88> |
What is the molecular formula for <BB_88>? | The molecular formula for <BB_88> (CCOCCCS) is C5H12OS. | |
Describe the ring structures in building block <BB_88>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_88>. | The molecule contains the following groups: Ether, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_88>. | **Token:** <BB_88>
**SMILES:** CCOCCCS
**Molecular Formula:** C5H12OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Thiol | |
Provide the SMILES representation for the building block token <BB_89>. | OCc1nnc2ccccc2n1 | |
What is the building block token for the following molecule? | OCc1nnc2ccccc2n1 | <BB_89> |
What is the molecular formula for <BB_89>? | The molecular formula for <BB_89> (OCc1nnc2ccccc2n1) is C8H7N3O. | |
Describe the ring structures in building block <BB_89>. | 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_89>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_89>. | **Token:** <BB_89>
**SMILES:** OCc1nnc2ccccc2n1
**Molecular Formula:** C8H7N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_90>. | Cc1ccc(CN)c(N2CCCC2)n1 | |
What is the building block token for the following molecule? | Cc1ccc(CN)c(N2CCCC2)n1 | <BB_90> |
What is the molecular formula for <BB_90>? | The molecular formula for <BB_90> (Cc1ccc(CN)c(N2CCCC2)n1) is C11H17N3. | |
Describe the ring structures in building block <BB_90>. | 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_90>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_90>. | **Token:** <BB_90>
**SMILES:** Cc1ccc(CN)c(N2CCCC2)n1
**Molecular Formula:** C11H17N3
**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_91>. | C#CCC1CCCCN1C | |
What is the building block token for the following molecule? | C#CCC1CCCCN1C | <BB_91> |
What is the molecular formula for <BB_91>? | The molecular formula for <BB_91> (C#CCC1CCCCN1C) is C9H15N. | |
Describe the ring structures in building block <BB_91>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_91>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_91>. | **Token:** <BB_91>
**SMILES:** C#CCC1CCCCN1C
**Molecular Formula:** C9H15N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_92>. | O=C(O)c1cccnc1SCc1ccco1 | |
What is the building block token for the following molecule? | O=C(O)c1cccnc1SCc1ccco1 | <BB_92> |
What is the molecular formula for <BB_92>? | The molecular formula for <BB_92> (O=C(O)c1cccnc1SCc1ccco1) is C11H9NO3S. | |
Describe the ring structures in building block <BB_92>. | 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_92>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_92>. | **Token:** <BB_92>
**SMILES:** O=C(O)c1cccnc1SCc1ccco1
**Molecular Formula:** C11H9NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_93>. | CC(C)c1nccnc1Cl | |
What is the building block token for the following molecule? | CC(C)c1nccnc1Cl | <BB_93> |
What is the molecular formula for <BB_93>? | The molecular formula for <BB_93> (CC(C)c1nccnc1Cl) is C7H9ClN2. | |
Describe the ring structures in building block <BB_93>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_93>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_93>. | **Token:** <BB_93>
**SMILES:** CC(C)c1nccnc1Cl
**Molecular Formula:** C7H9ClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_94>. | N#Cc1cc(Br)cc(I)c1 | |
What is the building block token for the following molecule? | N#Cc1cc(Br)cc(I)c1 | <BB_94> |
What is the molecular formula for <BB_94>? | The molecular formula for <BB_94> (N#Cc1cc(Br)cc(I)c1) is C7H3BrIN. | |
Describe the ring structures in building block <BB_94>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_94>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_94>. | **Token:** <BB_94>
**SMILES:** N#Cc1cc(Br)cc(I)c1
**Molecular Formula:** C7H3BrIN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_95>. | O=C(O)c1ccc2nn(C(F)F)cc2c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc2nn(C(F)F)cc2c1 | <BB_95> |
What is the molecular formula for <BB_95>? | The molecular formula for <BB_95> (O=C(O)c1ccc2nn(C(F)F)cc2c1) is C9H6F2N2O2. | |
Describe the ring structures in building block <BB_95>. | 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_95>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_95>. | **Token:** <BB_95>
**SMILES:** O=C(O)c1ccc2nn(C(F)F)cc2c1
**Molecular Formula:** C9H6F2N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_96>. | N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1 | |
What is the building block token for the following molecule? | N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1 | <BB_96> |
What is the molecular formula for <BB_96>? | The molecular formula for <BB_96> (N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1) is C12H8N2O3S. | |
Describe the ring structures in building block <BB_96>. | 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_96>. | The molecule contains the following groups: Carboxylic Acid, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_96>. | **Token:** <BB_96>
**SMILES:** N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1
**Molecular Formula:** C12H8N2O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_97>. | CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O | |
What is the building block token for the following molecule? | CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O | <BB_97> |
What is the molecular formula for <BB_97>? | The molecular formula for <BB_97> (CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O) is C15H19ClO3. | |
Describe the ring structures in building block <BB_97>. | 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_97>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_97>. | **Token:** <BB_97>
**SMILES:** CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O
**Molecular Formula:** C15H19ClO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_98>. | CC1(CC2CO2)CCCO1 | |
What is the building block token for the following molecule? | CC1(CC2CO2)CCCO1 | <BB_98> |
What is the molecular formula for <BB_98>? | The molecular formula for <BB_98> (CC1(CC2CO2)CCCO1) is C8H14O2. | |
Describe the ring structures in building block <BB_98>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_98>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_98>. | **Token:** <BB_98>
**SMILES:** CC1(CC2CO2)CCCO1
**Molecular Formula:** C8H14O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_99>. | CC1COc2cc(C(=O)O)ccc21 | |
What is the building block token for the following molecule? | CC1COc2cc(C(=O)O)ccc21 | <BB_99> |
What is the molecular formula for <BB_99>? | The molecular formula for <BB_99> (CC1COc2cc(C(=O)O)ccc21) is C10H10O3. | |
Describe the ring structures in building block <BB_99>. | 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_99>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_99>. | **Token:** <BB_99>
**SMILES:** CC1COc2cc(C(=O)O)ccc21
**Molecular Formula:** C10H10O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether |
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