instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9983>? | The molecular formula for <BB_9983> (CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O) is C12H21NO4. | |
Describe the ring structures in building block <BB_9983>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9983>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9983>. | **Token:** <BB_9983>
**SMILES:** CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O
**Molecular Formula:** C12H21NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9984>. | Oc1ccc2c(c1)CCC2 | |
What is the building block token for the following molecule? | Oc1ccc2c(c1)CCC2 | <BB_9984> |
What is the molecular formula for <BB_9984>? | The molecular formula for <BB_9984> (Oc1ccc2c(c1)CCC2) is C9H10O. | |
Describe the ring structures in building block <BB_9984>. | 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_9984>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9984>. | **Token:** <BB_9984>
**SMILES:** Oc1ccc2c(c1)CCC2
**Molecular Formula:** C9H10O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9985>. | NC(=O)c1cc(Br)cc2ccccc12 | |
What is the building block token for the following molecule? | NC(=O)c1cc(Br)cc2ccccc12 | <BB_9985> |
What is the molecular formula for <BB_9985>? | The molecular formula for <BB_9985> (NC(=O)c1cc(Br)cc2ccccc12) is C11H8BrNO. | |
Describe the ring structures in building block <BB_9985>. | 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_9985>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9985>. | **Token:** <BB_9985>
**SMILES:** NC(=O)c1cc(Br)cc2ccccc12
**Molecular Formula:** C11H8BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9986>. | Brc1ccc2cc[nH]c2c1 | |
What is the building block token for the following molecule? | Brc1ccc2cc[nH]c2c1 | <BB_9986> |
What is the molecular formula for <BB_9986>? | The molecular formula for <BB_9986> (Brc1ccc2cc[nH]c2c1) is C8H6BrN. | |
Describe the ring structures in building block <BB_9986>. | 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_9986>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9986>. | **Token:** <BB_9986>
**SMILES:** Brc1ccc2cc[nH]c2c1
**Molecular Formula:** C8H6BrN
**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_9987>. | O=C(O)c1ncn2c1C(=O)NCC2 | |
What is the building block token for the following molecule? | O=C(O)c1ncn2c1C(=O)NCC2 | <BB_9987> |
What is the molecular formula for <BB_9987>? | The molecular formula for <BB_9987> (O=C(O)c1ncn2c1C(=O)NCC2) is C7H7N3O3. | |
Describe the ring structures in building block <BB_9987>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9987>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9987>. | **Token:** <BB_9987>
**SMILES:** O=C(O)c1ncn2c1C(=O)NCC2
**Molecular Formula:** C7H7N3O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9988>. | COC(=O)CCSCc1ccccc1OC | |
What is the building block token for the following molecule? | COC(=O)CCSCc1ccccc1OC | <BB_9988> |
What is the molecular formula for <BB_9988>? | The molecular formula for <BB_9988> (COC(=O)CCSCc1ccccc1OC) is C12H16O3S. | |
Describe the ring structures in building block <BB_9988>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9988>. | The molecule contains the following groups: Ester, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9988>. | **Token:** <BB_9988>
**SMILES:** COC(=O)CCSCc1ccccc1OC
**Molecular Formula:** C12H16O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_9989>. | CC1(C)OB(C2COC2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(C2COC2)OC1(C)C | <BB_9989> |
What is the molecular formula for <BB_9989>? | The molecular formula for <BB_9989> (CC1(C)OB(C2COC2)OC1(C)C) is C9H17BO3. | |
Describe the ring structures in building block <BB_9989>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9989>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9989>. | **Token:** <BB_9989>
**SMILES:** CC1(C)OB(C2COC2)OC1(C)C
**Molecular Formula:** C9H17BO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9990>. | COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1 | |
What is the building block token for the following molecule? | COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1 | <BB_9990> |
What is the molecular formula for <BB_9990>? | The molecular formula for <BB_9990> (COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1) is C9H9N3O4S. | |
Describe the ring structures in building block <BB_9990>. | 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_9990>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9990>. | **Token:** <BB_9990>
**SMILES:** COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1
**Molecular Formula:** C9H9N3O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9991>. | N#Cc1csc(C(=O)O)c1 | |
What is the building block token for the following molecule? | N#Cc1csc(C(=O)O)c1 | <BB_9991> |
What is the molecular formula for <BB_9991>? | The molecular formula for <BB_9991> (N#Cc1csc(C(=O)O)c1) is C6H3NO2S. | |
Describe the ring structures in building block <BB_9991>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9991>. | The molecule contains the following groups: Carboxylic Acid, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9991>. | **Token:** <BB_9991>
**SMILES:** N#Cc1csc(C(=O)O)c1
**Molecular Formula:** C6H3NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Nitrile | |
Provide the SMILES representation for the building block token <BB_9992>. | Cc1c[nH]c(=O)nc1N | |
What is the building block token for the following molecule? | Cc1c[nH]c(=O)nc1N | <BB_9992> |
What is the molecular formula for <BB_9992>? | The molecular formula for <BB_9992> (Cc1c[nH]c(=O)nc1N) is C5H7N3O. | |
Describe the ring structures in building block <BB_9992>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9992>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9992>. | **Token:** <BB_9992>
**SMILES:** Cc1c[nH]c(=O)nc1N
**Molecular Formula:** C5H7N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9993>. | CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F | |
What is the building block token for the following molecule? | CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F | <BB_9993> |
What is the molecular formula for <BB_9993>? | The molecular formula for <BB_9993> (CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F) is C11H8F4O3. | |
Describe the ring structures in building block <BB_9993>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9993>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9993>. | **Token:** <BB_9993>
**SMILES:** CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F
**Molecular Formula:** C11H8F4O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9994>. | O=C(O)c1cc(C2CC2)[nH]n1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(C2CC2)[nH]n1 | <BB_9994> |
What is the molecular formula for <BB_9994>? | The molecular formula for <BB_9994> (O=C(O)c1cc(C2CC2)[nH]n1) is C7H8N2O2. | |
Describe the ring structures in building block <BB_9994>. | 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_9994>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9994>. | **Token:** <BB_9994>
**SMILES:** O=C(O)c1cc(C2CC2)[nH]n1
**Molecular Formula:** C7H8N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9995>. | CNS(=O)(=O)CC1CCCNC1.Cl | |
What is the building block token for the following molecule? | CNS(=O)(=O)CC1CCCNC1.Cl | <BB_9995> |
What is the molecular formula for <BB_9995>? | The molecular formula for <BB_9995> (CNS(=O)(=O)CC1CCCNC1.Cl) is C7H17ClN2O2S. | |
Describe the ring structures in building block <BB_9995>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9995>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9995>. | **Token:** <BB_9995>
**SMILES:** CNS(=O)(=O)CC1CCCNC1.Cl
**Molecular Formula:** C7H17ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9996>. | CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl | <BB_9996> |
What is the molecular formula for <BB_9996>? | The molecular formula for <BB_9996> (CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl) is C13H25ClN2O3. | |
Describe the ring structures in building block <BB_9996>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9996>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9996>. | **Token:** <BB_9996>
**SMILES:** CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl
**Molecular Formula:** C13H25ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9997>. | CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O | <BB_9997> |
What is the molecular formula for <BB_9997>? | The molecular formula for <BB_9997> (CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O) is C11H16N2O4S. | |
Describe the ring structures in building block <BB_9997>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9997>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9997>. | **Token:** <BB_9997>
**SMILES:** CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O
**Molecular Formula:** C11H16N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9998>. | CC(C(=O)O)N(C)C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CC(C(=O)O)N(C)C(=O)OC(C)(C)C | <BB_9998> |
What is the molecular formula for <BB_9998>? | The molecular formula for <BB_9998> (CC(C(=O)O)N(C)C(=O)OC(C)(C)C) is C9H17NO4. | |
Describe the ring structures in building block <BB_9998>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9998>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9998>. | **Token:** <BB_9998>
**SMILES:** CC(C(=O)O)N(C)C(=O)OC(C)(C)C
**Molecular Formula:** C9H17NO4
**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_9999>. | CCOC(=O)C=C(C)c1cccnc1 | |
What is the building block token for the following molecule? | CCOC(=O)C=C(C)c1cccnc1 | <BB_9999> |
What is the molecular formula for <BB_9999>? | The molecular formula for <BB_9999> (CCOC(=O)C=C(C)c1cccnc1) is C11H13NO2. | |
Describe the ring structures in building block <BB_9999>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9999>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9999>. | **Token:** <BB_9999>
**SMILES:** CCOC(=O)C=C(C)c1cccnc1
**Molecular Formula:** C11H13NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether |
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