instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9966>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9966>. | **Token:** <BB_9966>
**SMILES:** Cc1nc2c(F)c(F)ccc2cc1O
**Molecular Formula:** C10H7F2NO
**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_9967>. | COc1ccc2sccc2c1 | |
What is the building block token for the following molecule? | COc1ccc2sccc2c1 | <BB_9967> |
What is the molecular formula for <BB_9967>? | The molecular formula for <BB_9967> (COc1ccc2sccc2c1) is C9H8OS. | |
Describe the ring structures in building block <BB_9967>. | 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_9967>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9967>. | **Token:** <BB_9967>
**SMILES:** COc1ccc2sccc2c1
**Molecular Formula:** C9H8OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9968>. | CCNC(=O)CC[C@H](N)C(=O)O | |
What is the building block token for the following molecule? | CCNC(=O)CC[C@H](N)C(=O)O | <BB_9968> |
What is the molecular formula for <BB_9968>? | The molecular formula for <BB_9968> (CCNC(=O)CC[C@H](N)C(=O)O) is C7H14N2O3. | |
Describe the ring structures in building block <BB_9968>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9968>. | The molecule contains the following groups: Carboxylic Acid, Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9968>. | **Token:** <BB_9968>
**SMILES:** CCNC(=O)CC[C@H](N)C(=O)O
**Molecular Formula:** C7H14N2O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9969>. | CNC(C)(C)CNC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CNC(C)(C)CNC(=O)OC(C)(C)C | <BB_9969> |
What is the molecular formula for <BB_9969>? | The molecular formula for <BB_9969> (CNC(C)(C)CNC(=O)OC(C)(C)C) is C10H22N2O2. | |
Describe the ring structures in building block <BB_9969>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9969>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9969>. | **Token:** <BB_9969>
**SMILES:** CNC(C)(C)CNC(=O)OC(C)(C)C
**Molecular Formula:** C10H22N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9970>. | O=Cc1cnc(Cl)nc1 | |
What is the building block token for the following molecule? | O=Cc1cnc(Cl)nc1 | <BB_9970> |
What is the molecular formula for <BB_9970>? | The molecular formula for <BB_9970> (O=Cc1cnc(Cl)nc1) is C5H3ClN2O. | |
Describe the ring structures in building block <BB_9970>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9970>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9970>. | **Token:** <BB_9970>
**SMILES:** O=Cc1cnc(Cl)nc1
**Molecular Formula:** C5H3ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9971>. | Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12 | |
What is the building block token for the following molecule? | Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12 | <BB_9971> |
What is the molecular formula for <BB_9971>? | The molecular formula for <BB_9971> (Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12) is C12H13Br2FN2O. | |
Describe the ring structures in building block <BB_9971>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9971>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9971>. | **Token:** <BB_9971>
**SMILES:** Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12
**Molecular Formula:** C12H13Br2FN2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9972>. | Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O | |
What is the building block token for the following molecule? | Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O | <BB_9972> |
What is the molecular formula for <BB_9972>? | The molecular formula for <BB_9972> (Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O) is C14H18O4. | |
Describe the ring structures in building block <BB_9972>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9972>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9972>. | **Token:** <BB_9972>
**SMILES:** Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O
**Molecular Formula:** C14H18O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9973>. | CCC(C)(N)c1nccs1 | |
What is the building block token for the following molecule? | CCC(C)(N)c1nccs1 | <BB_9973> |
What is the molecular formula for <BB_9973>? | The molecular formula for <BB_9973> (CCC(C)(N)c1nccs1) is C7H12N2S. | |
Describe the ring structures in building block <BB_9973>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9973>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9973>. | **Token:** <BB_9973>
**SMILES:** CCC(C)(N)c1nccs1
**Molecular Formula:** C7H12N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9974>. | NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+] | |
What is the building block token for the following molecule? | NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+] | <BB_9974> |
What is the molecular formula for <BB_9974>? | The molecular formula for <BB_9974> (NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+]) is C14H10NNaO2. | |
Describe the ring structures in building block <BB_9974>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9974>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9974>. | **Token:** <BB_9974>
**SMILES:** NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+]
**Molecular Formula:** C14H10NNaO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9975>. | CCC(=O)C1(NC(=O)OC(C)(C)C)CC1 | |
What is the building block token for the following molecule? | CCC(=O)C1(NC(=O)OC(C)(C)C)CC1 | <BB_9975> |
What is the molecular formula for <BB_9975>? | The molecular formula for <BB_9975> (CCC(=O)C1(NC(=O)OC(C)(C)C)CC1) is C11H19NO3. | |
Describe the ring structures in building block <BB_9975>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9975>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9975>. | **Token:** <BB_9975>
**SMILES:** CCC(=O)C1(NC(=O)OC(C)(C)C)CC1
**Molecular Formula:** C11H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9976>. | Cl.NCCS(=O)(=O)NCC1CCCCO1 | |
What is the building block token for the following molecule? | Cl.NCCS(=O)(=O)NCC1CCCCO1 | <BB_9976> |
What is the molecular formula for <BB_9976>? | The molecular formula for <BB_9976> (Cl.NCCS(=O)(=O)NCC1CCCCO1) is C8H19ClN2O3S. | |
Describe the ring structures in building block <BB_9976>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9976>. | The molecule contains the following groups: Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9976>. | **Token:** <BB_9976>
**SMILES:** Cl.NCCS(=O)(=O)NCC1CCCCO1
**Molecular Formula:** C8H19ClN2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9977>. | COC(=O)c1cc(Br)c(C)cc1OC | |
What is the building block token for the following molecule? | COC(=O)c1cc(Br)c(C)cc1OC | <BB_9977> |
What is the molecular formula for <BB_9977>? | The molecular formula for <BB_9977> (COC(=O)c1cc(Br)c(C)cc1OC) is C10H11BrO3. | |
Describe the ring structures in building block <BB_9977>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9977>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9977>. | **Token:** <BB_9977>
**SMILES:** COC(=O)c1cc(Br)c(C)cc1OC
**Molecular Formula:** C10H11BrO3
**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_9978>. | Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1 | |
What is the building block token for the following molecule? | Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1 | <BB_9978> |
What is the molecular formula for <BB_9978>? | The molecular formula for <BB_9978> (Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1) is C6H13ClN4. | |
Describe the ring structures in building block <BB_9978>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9978>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9978>. | **Token:** <BB_9978>
**SMILES:** Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1
**Molecular Formula:** C6H13ClN4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9979>. | CN(C)Cc1ccc(Br)cc1 | |
What is the building block token for the following molecule? | CN(C)Cc1ccc(Br)cc1 | <BB_9979> |
What is the molecular formula for <BB_9979>? | The molecular formula for <BB_9979> (CN(C)Cc1ccc(Br)cc1) is C9H12BrN. | |
Describe the ring structures in building block <BB_9979>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9979>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9979>. | **Token:** <BB_9979>
**SMILES:** CN(C)Cc1ccc(Br)cc1
**Molecular Formula:** C9H12BrN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9980>. | Cl.NC(c1ccc(F)cc1)C1CCCC1 | |
What is the building block token for the following molecule? | Cl.NC(c1ccc(F)cc1)C1CCCC1 | <BB_9980> |
What is the molecular formula for <BB_9980>? | The molecular formula for <BB_9980> (Cl.NC(c1ccc(F)cc1)C1CCCC1) is C12H17ClFN. | |
Describe the ring structures in building block <BB_9980>. | 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_9980>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9980>. | **Token:** <BB_9980>
**SMILES:** Cl.NC(c1ccc(F)cc1)C1CCCC1
**Molecular Formula:** C12H17ClFN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9981>. | COC(=O)C12CCCCN1CCC2 | |
What is the building block token for the following molecule? | COC(=O)C12CCCCN1CCC2 | <BB_9981> |
What is the molecular formula for <BB_9981>? | The molecular formula for <BB_9981> (COC(=O)C12CCCCN1CCC2) is C10H17NO2. | |
Describe the ring structures in building block <BB_9981>. | 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_9981>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9981>. | **Token:** <BB_9981>
**SMILES:** COC(=O)C12CCCCN1CCC2
**Molecular Formula:** C10H17NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9982>. | Cl.NCC1CC2(CCCC2)C1 | |
What is the building block token for the following molecule? | Cl.NCC1CC2(CCCC2)C1 | <BB_9982> |
What is the molecular formula for <BB_9982>? | The molecular formula for <BB_9982> (Cl.NCC1CC2(CCCC2)C1) is C9H18ClN. | |
Describe the ring structures in building block <BB_9982>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9982>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9982>. | **Token:** <BB_9982>
**SMILES:** Cl.NCC1CC2(CCCC2)C1
**Molecular Formula:** C9H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9983>. | CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O | <BB_9983> |
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