instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_383>? | The molecular formula for <BB_383> (Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1) is C8H7N3O3. | |
Describe the ring structures in building block <BB_383>. | 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_383>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_383>. | **Token:** <BB_383>
**SMILES:** Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1
**Molecular Formula:** C8H7N3O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_384>. | CCOC(=O)c1nc2ccccn2n1 | |
What is the building block token for the following molecule? | CCOC(=O)c1nc2ccccn2n1 | <BB_384> |
What is the molecular formula for <BB_384>? | The molecular formula for <BB_384> (CCOC(=O)c1nc2ccccn2n1) is C9H9N3O2. | |
Describe the ring structures in building block <BB_384>. | 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_384>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_384>. | **Token:** <BB_384>
**SMILES:** CCOC(=O)c1nc2ccccn2n1
**Molecular Formula:** C9H9N3O2
**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_385>. | CNC(C)C(C)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | CNC(C)C(C)c1ccc(Cl)cc1 | <BB_385> |
What is the molecular formula for <BB_385>? | The molecular formula for <BB_385> (CNC(C)C(C)c1ccc(Cl)cc1) is C11H16ClN. | |
Describe the ring structures in building block <BB_385>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_385>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_385>. | **Token:** <BB_385>
**SMILES:** CNC(C)C(C)c1ccc(Cl)cc1
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_386>. | CC(C)n1cc(CO)cn1 | |
What is the building block token for the following molecule? | CC(C)n1cc(CO)cn1 | <BB_386> |
What is the molecular formula for <BB_386>? | The molecular formula for <BB_386> (CC(C)n1cc(CO)cn1) is C7H12N2O. | |
Describe the ring structures in building block <BB_386>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_386>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_386>. | **Token:** <BB_386>
**SMILES:** CC(C)n1cc(CO)cn1
**Molecular Formula:** C7H12N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_387>. | CN(CC(=O)O)C1CCNCC1.Cl.Cl | |
What is the building block token for the following molecule? | CN(CC(=O)O)C1CCNCC1.Cl.Cl | <BB_387> |
What is the molecular formula for <BB_387>? | The molecular formula for <BB_387> (CN(CC(=O)O)C1CCNCC1.Cl.Cl) is C8H18Cl2N2O2. | |
Describe the ring structures in building block <BB_387>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_387>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_387>. | **Token:** <BB_387>
**SMILES:** CN(CC(=O)O)C1CCNCC1.Cl.Cl
**Molecular Formula:** C8H18Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_388>. | CC1CCC(F)(F)C(=O)N1 | |
What is the building block token for the following molecule? | CC1CCC(F)(F)C(=O)N1 | <BB_388> |
What is the molecular formula for <BB_388>? | The molecular formula for <BB_388> (CC1CCC(F)(F)C(=O)N1) is C6H9F2NO. | |
Describe the ring structures in building block <BB_388>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_388>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_388>. | **Token:** <BB_388>
**SMILES:** CC1CCC(F)(F)C(=O)N1
**Molecular Formula:** C6H9F2NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_389>. | N#CC(=CC1CCSC1)C(=O)O | |
What is the building block token for the following molecule? | N#CC(=CC1CCSC1)C(=O)O | <BB_389> |
What is the molecular formula for <BB_389>? | The molecular formula for <BB_389> (N#CC(=CC1CCSC1)C(=O)O) is C8H9NO2S. | |
Describe the ring structures in building block <BB_389>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_389>. | The molecule contains the following groups: Carboxylic Acid, Sulfide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_389>. | **Token:** <BB_389>
**SMILES:** N#CC(=CC1CCSC1)C(=O)O
**Molecular Formula:** C8H9NO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Sulfide, Nitrile | |
Provide the SMILES representation for the building block token <BB_390>. | CCCCOc1cc(OC)ccc1C(=O)OC | |
What is the building block token for the following molecule? | CCCCOc1cc(OC)ccc1C(=O)OC | <BB_390> |
What is the molecular formula for <BB_390>? | The molecular formula for <BB_390> (CCCCOc1cc(OC)ccc1C(=O)OC) is C13H18O4. | |
Describe the ring structures in building block <BB_390>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_390>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_390>. | **Token:** <BB_390>
**SMILES:** CCCCOc1cc(OC)ccc1C(=O)OC
**Molecular Formula:** C13H18O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_391>. | CNC(=O)n1cnc(C(N)=O)c1N | |
What is the building block token for the following molecule? | CNC(=O)n1cnc(C(N)=O)c1N | <BB_391> |
What is the molecular formula for <BB_391>? | The molecular formula for <BB_391> (CNC(=O)n1cnc(C(N)=O)c1N) is C6H9N5O2. | |
Describe the ring structures in building block <BB_391>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_391>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_391>. | **Token:** <BB_391>
**SMILES:** CNC(=O)n1cnc(C(N)=O)c1N
**Molecular Formula:** C6H9N5O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_392>. | CNC(=O)c1cc(C#N)cc(C)c1N | |
What is the building block token for the following molecule? | CNC(=O)c1cc(C#N)cc(C)c1N | <BB_392> |
What is the molecular formula for <BB_392>? | The molecular formula for <BB_392> (CNC(=O)c1cc(C#N)cc(C)c1N) is C10H11N3O. | |
Describe the ring structures in building block <BB_392>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_392>. | The molecule contains the following groups: Amine, Amide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_392>. | **Token:** <BB_392>
**SMILES:** CNC(=O)c1cc(C#N)cc(C)c1N
**Molecular Formula:** C10H11N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Nitrile | |
Provide the SMILES representation for the building block token <BB_393>. | COc1ccc(F)cc1C(=O)O | |
What is the building block token for the following molecule? | COc1ccc(F)cc1C(=O)O | <BB_393> |
What is the molecular formula for <BB_393>? | The molecular formula for <BB_393> (COc1ccc(F)cc1C(=O)O) is C8H7FO3. | |
Describe the ring structures in building block <BB_393>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_393>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_393>. | **Token:** <BB_393>
**SMILES:** COc1ccc(F)cc1C(=O)O
**Molecular Formula:** C8H7FO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_394>. | COC(=O)Cc1nc(C(=O)O)cs1 | |
What is the building block token for the following molecule? | COC(=O)Cc1nc(C(=O)O)cs1 | <BB_394> |
What is the molecular formula for <BB_394>? | The molecular formula for <BB_394> (COC(=O)Cc1nc(C(=O)O)cs1) is C7H7NO4S. | |
Describe the ring structures in building block <BB_394>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_394>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_394>. | **Token:** <BB_394>
**SMILES:** COC(=O)Cc1nc(C(=O)O)cs1
**Molecular Formula:** C7H7NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_395>. | O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1 | |
What is the building block token for the following molecule? | O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1 | <BB_395> |
What is the molecular formula for <BB_395>? | The molecular formula for <BB_395> (O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1) is C12H12BrF2NO. | |
Describe the ring structures in building block <BB_395>. | 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_395>. | The molecule contains the following groups: Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_395>. | **Token:** <BB_395>
**SMILES:** O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1
**Molecular Formula:** C12H12BrF2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_396>. | CC(Br)c1cc(Br)ccc1F | |
What is the building block token for the following molecule? | CC(Br)c1cc(Br)ccc1F | <BB_396> |
What is the molecular formula for <BB_396>? | The molecular formula for <BB_396> (CC(Br)c1cc(Br)ccc1F) is C8H7Br2F. | |
Describe the ring structures in building block <BB_396>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_396>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_396>. | **Token:** <BB_396>
**SMILES:** CC(Br)c1cc(Br)ccc1F
**Molecular Formula:** C8H7Br2F
**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_397>. | CON(C)C(=O)CCCl | |
What is the building block token for the following molecule? | CON(C)C(=O)CCCl | <BB_397> |
What is the molecular formula for <BB_397>? | The molecular formula for <BB_397> (CON(C)C(=O)CCCl) is C5H10ClNO2. | |
Describe the ring structures in building block <BB_397>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_397>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_397>. | **Token:** <BB_397>
**SMILES:** CON(C)C(=O)CCCl
**Molecular Formula:** C5H10ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_398>. | CNCCCC1CNCCN1C.Cl.Cl.Cl | |
What is the building block token for the following molecule? | CNCCCC1CNCCN1C.Cl.Cl.Cl | <BB_398> |
What is the molecular formula for <BB_398>? | The molecular formula for <BB_398> (CNCCCC1CNCCN1C.Cl.Cl.Cl) is C9H24Cl3N3. | |
Describe the ring structures in building block <BB_398>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_398>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_398>. | **Token:** <BB_398>
**SMILES:** CNCCCC1CNCCN1C.Cl.Cl.Cl
**Molecular Formula:** C9H24Cl3N3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_399>. | CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 | |
What is the building block token for the following molecule? | CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 | <BB_399> |
What is the molecular formula for <BB_399>? | The molecular formula for <BB_399> (CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1) is C14H12BrNO3. | |
Describe the ring structures in building block <BB_399>. | 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_399>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_399>. | **Token:** <BB_399>
**SMILES:** CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1
**Molecular Formula:** C14H12BrNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro |
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