instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_283>? | The molecular formula for <BB_283> (CC(C)(C)OC(=O)NCCCCCCCCCBr) is C14H28BrNO2. | |
Describe the ring structures in building block <BB_283>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_283>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_283>. | **Token:** <BB_283>
**SMILES:** CC(C)(C)OC(=O)NCCCCCCCCCBr
**Molecular Formula:** C14H28BrNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_284>. | O=C1COc2c1ccc(Cl)c2Cl | |
What is the building block token for the following molecule? | O=C1COc2c1ccc(Cl)c2Cl | <BB_284> |
What is the molecular formula for <BB_284>? | The molecular formula for <BB_284> (O=C1COc2c1ccc(Cl)c2Cl) is C8H4Cl2O2. | |
Describe the ring structures in building block <BB_284>. | 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_284>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_284>. | **Token:** <BB_284>
**SMILES:** O=C1COc2c1ccc(Cl)c2Cl
**Molecular Formula:** C8H4Cl2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_285>. | N#CC1CCCCC(O)C1 | |
What is the building block token for the following molecule? | N#CC1CCCCC(O)C1 | <BB_285> |
What is the molecular formula for <BB_285>? | The molecular formula for <BB_285> (N#CC1CCCCC(O)C1) is C8H13NO. | |
Describe the ring structures in building block <BB_285>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_285>. | The molecule contains the following groups: Alcohol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_285>. | **Token:** <BB_285>
**SMILES:** N#CC1CCCCC(O)C1
**Molecular Formula:** C8H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Alcohol, Nitrile | |
Provide the SMILES representation for the building block token <BB_286>. | Oc1ccc(Br)c2cnoc12 | |
What is the building block token for the following molecule? | Oc1ccc(Br)c2cnoc12 | <BB_286> |
What is the molecular formula for <BB_286>? | The molecular formula for <BB_286> (Oc1ccc(Br)c2cnoc12) is C7H4BrNO2. | |
Describe the ring structures in building block <BB_286>. | 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_286>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_286>. | **Token:** <BB_286>
**SMILES:** Oc1ccc(Br)c2cnoc12
**Molecular Formula:** C7H4BrNO2
**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_287>. | Cc1nn(Cc2ccccc2)c(Cl)c1CCl | |
What is the building block token for the following molecule? | Cc1nn(Cc2ccccc2)c(Cl)c1CCl | <BB_287> |
What is the molecular formula for <BB_287>? | The molecular formula for <BB_287> (Cc1nn(Cc2ccccc2)c(Cl)c1CCl) is C12H12Cl2N2. | |
Describe the ring structures in building block <BB_287>. | 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_287>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_287>. | **Token:** <BB_287>
**SMILES:** Cc1nn(Cc2ccccc2)c(Cl)c1CCl
**Molecular Formula:** C12H12Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_288>. | Cc1cc(SC#N)cc(C)c1NC(=O)CCl | |
What is the building block token for the following molecule? | Cc1cc(SC#N)cc(C)c1NC(=O)CCl | <BB_288> |
What is the molecular formula for <BB_288>? | The molecular formula for <BB_288> (Cc1cc(SC#N)cc(C)c1NC(=O)CCl) is C11H11ClN2OS. | |
Describe the ring structures in building block <BB_288>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_288>. | The molecule contains the following groups: Amide, Sulfide, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_288>. | **Token:** <BB_288>
**SMILES:** Cc1cc(SC#N)cc(C)c1NC(=O)CCl
**Molecular Formula:** C11H11ClN2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Sulfide, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_289>. | COCCCC(N)c1cccnc1 | |
What is the building block token for the following molecule? | COCCCC(N)c1cccnc1 | <BB_289> |
What is the molecular formula for <BB_289>? | The molecular formula for <BB_289> (COCCCC(N)c1cccnc1) is C10H16N2O. | |
Describe the ring structures in building block <BB_289>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_289>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_289>. | **Token:** <BB_289>
**SMILES:** COCCCC(N)c1cccnc1
**Molecular Formula:** C10H16N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_290>. | CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 | |
What is the building block token for the following molecule? | CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 | <BB_290> |
What is the molecular formula for <BB_290>? | The molecular formula for <BB_290> (CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1) is C10H8N2O3. | |
Describe the ring structures in building block <BB_290>. | 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_290>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_290>. | **Token:** <BB_290>
**SMILES:** CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
**Molecular Formula:** C10H8N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_291>. | Cc1nn(C)c(C)c1C=O | |
What is the building block token for the following molecule? | Cc1nn(C)c(C)c1C=O | <BB_291> |
What is the molecular formula for <BB_291>? | The molecular formula for <BB_291> (Cc1nn(C)c(C)c1C=O) is C7H10N2O. | |
Describe the ring structures in building block <BB_291>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_291>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_291>. | **Token:** <BB_291>
**SMILES:** Cc1nn(C)c(C)c1C=O
**Molecular Formula:** C7H10N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_292>. | COc1nccnc1CC(=O)[O-].[Na+] | |
What is the building block token for the following molecule? | COc1nccnc1CC(=O)[O-].[Na+] | <BB_292> |
What is the molecular formula for <BB_292>? | The molecular formula for <BB_292> (COc1nccnc1CC(=O)[O-].[Na+]) is C7H7N2NaO3. | |
Describe the ring structures in building block <BB_292>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_292>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_292>. | **Token:** <BB_292>
**SMILES:** COc1nccnc1CC(=O)[O-].[Na+]
**Molecular Formula:** C7H7N2NaO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_293>. | CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl | |
What is the building block token for the following molecule? | CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl | <BB_293> |
What is the molecular formula for <BB_293>? | The molecular formula for <BB_293> (CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl) is C11H18ClN3O2S. | |
Describe the ring structures in building block <BB_293>. | 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_293>. | 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_293>. | **Token:** <BB_293>
**SMILES:** CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl
**Molecular Formula:** C11H18ClN3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_294>. | CC(C)(C)OC(=O)Nc1cccc(CCCN)c1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1cccc(CCCN)c1 | <BB_294> |
What is the molecular formula for <BB_294>? | The molecular formula for <BB_294> (CC(C)(C)OC(=O)Nc1cccc(CCCN)c1) is C14H22N2O2. | |
Describe the ring structures in building block <BB_294>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_294>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_294>. | **Token:** <BB_294>
**SMILES:** CC(C)(C)OC(=O)Nc1cccc(CCCN)c1
**Molecular Formula:** C14H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_295>. | CCOC(=O)C1(C(=O)O)CC1(C)C | |
What is the building block token for the following molecule? | CCOC(=O)C1(C(=O)O)CC1(C)C | <BB_295> |
What is the molecular formula for <BB_295>? | The molecular formula for <BB_295> (CCOC(=O)C1(C(=O)O)CC1(C)C) is C9H14O4. | |
Describe the ring structures in building block <BB_295>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_295>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_295>. | **Token:** <BB_295>
**SMILES:** CCOC(=O)C1(C(=O)O)CC1(C)C
**Molecular Formula:** C9H14O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_296>. | Nc1ccn(C[C@H](O)CO)c(=O)n1 | |
What is the building block token for the following molecule? | Nc1ccn(C[C@H](O)CO)c(=O)n1 | <BB_296> |
What is the molecular formula for <BB_296>? | The molecular formula for <BB_296> (Nc1ccn(C[C@H](O)CO)c(=O)n1) is C7H11N3O3. | |
Describe the ring structures in building block <BB_296>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_296>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_296>. | **Token:** <BB_296>
**SMILES:** Nc1ccn(C[C@H](O)CO)c(=O)n1
**Molecular Formula:** C7H11N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_297>. | CCc1cc(N)c(C(=O)O)c(F)c1 | |
What is the building block token for the following molecule? | CCc1cc(N)c(C(=O)O)c(F)c1 | <BB_297> |
What is the molecular formula for <BB_297>? | The molecular formula for <BB_297> (CCc1cc(N)c(C(=O)O)c(F)c1) is C9H10FNO2. | |
Describe the ring structures in building block <BB_297>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_297>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_297>. | **Token:** <BB_297>
**SMILES:** CCc1cc(N)c(C(=O)O)c(F)c1
**Molecular Formula:** C9H10FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_298>. | COC1(C(F)F)CC2(CNC2)C1.Cl | |
What is the building block token for the following molecule? | COC1(C(F)F)CC2(CNC2)C1.Cl | <BB_298> |
What is the molecular formula for <BB_298>? | The molecular formula for <BB_298> (COC1(C(F)F)CC2(CNC2)C1.Cl) is C8H14ClF2NO. | |
Describe the ring structures in building block <BB_298>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_298>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_298>. | **Token:** <BB_298>
**SMILES:** COC1(C(F)F)CC2(CNC2)C1.Cl
**Molecular Formula:** C8H14ClF2NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_299>. | Cl.OC[C@]12CNC[C@H]1C2 | |
What is the building block token for the following molecule? | Cl.OC[C@]12CNC[C@H]1C2 | <BB_299> |
What is the molecular formula for <BB_299>? | The molecular formula for <BB_299> (Cl.OC[C@]12CNC[C@H]1C2) is C6H12ClNO. | |
Describe the ring structures in building block <BB_299>. | 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_299>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_299>. | **Token:** <BB_299>
**SMILES:** Cl.OC[C@]12CNC[C@H]1C2
**Molecular Formula:** C6H12ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) |
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