instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9650>. | CCSC(C)C(=N)N.Cl | |
What is the building block token for the following molecule? | CCSC(C)C(=N)N.Cl | <BB_9650> |
What is the molecular formula for <BB_9650>? | The molecular formula for <BB_9650> (CCSC(C)C(=N)N.Cl) is C5H13ClN2S. | |
Describe the ring structures in building block <BB_9650>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9650>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9650>. | **Token:** <BB_9650>
**SMILES:** CCSC(C)C(=N)N.Cl
**Molecular Formula:** C5H13ClN2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9651>. | CNC(=O)c1cnc(Cl)cn1 | |
What is the building block token for the following molecule? | CNC(=O)c1cnc(Cl)cn1 | <BB_9651> |
What is the molecular formula for <BB_9651>? | The molecular formula for <BB_9651> (CNC(=O)c1cnc(Cl)cn1) is C6H6ClN3O. | |
Describe the ring structures in building block <BB_9651>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9651>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9651>. | **Token:** <BB_9651>
**SMILES:** CNC(=O)c1cnc(Cl)cn1
**Molecular Formula:** C6H6ClN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9652>. | CC1NN=C(c2ccccn2)NC1=O | |
What is the building block token for the following molecule? | CC1NN=C(c2ccccn2)NC1=O | <BB_9652> |
What is the molecular formula for <BB_9652>? | The molecular formula for <BB_9652> (CC1NN=C(c2ccccn2)NC1=O) is C9H10N4O. | |
Describe the ring structures in building block <BB_9652>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9652>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9652>. | **Token:** <BB_9652>
**SMILES:** CC1NN=C(c2ccccn2)NC1=O
**Molecular Formula:** C9H10N4O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9653>. | COC1CCC(C(F)C(=O)O)CC1 | |
What is the building block token for the following molecule? | COC1CCC(C(F)C(=O)O)CC1 | <BB_9653> |
What is the molecular formula for <BB_9653>? | The molecular formula for <BB_9653> (COC1CCC(C(F)C(=O)O)CC1) is C9H15FO3. | |
Describe the ring structures in building block <BB_9653>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9653>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9653>. | **Token:** <BB_9653>
**SMILES:** COC1CCC(C(F)C(=O)O)CC1
**Molecular Formula:** C9H15FO3
**Ring System:** The molecule contains 1 ring(s): 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_9654>. | O=Cc1cccc(CCC(=O)O)c1 | |
What is the building block token for the following molecule? | O=Cc1cccc(CCC(=O)O)c1 | <BB_9654> |
What is the molecular formula for <BB_9654>? | The molecular formula for <BB_9654> (O=Cc1cccc(CCC(=O)O)c1) is C10H10O3. | |
Describe the ring structures in building block <BB_9654>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9654>. | The molecule contains the following groups: Carboxylic Acid, Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9654>. | **Token:** <BB_9654>
**SMILES:** O=Cc1cccc(CCC(=O)O)c1
**Molecular Formula:** C10H10O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Aldehyde | |
Provide the SMILES representation for the building block token <BB_9655>. | Cc1cccc(CC(CN)CO)c1.Cl | |
What is the building block token for the following molecule? | Cc1cccc(CC(CN)CO)c1.Cl | <BB_9655> |
What is the molecular formula for <BB_9655>? | The molecular formula for <BB_9655> (Cc1cccc(CC(CN)CO)c1.Cl) is C11H18ClNO. | |
Describe the ring structures in building block <BB_9655>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9655>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9655>. | **Token:** <BB_9655>
**SMILES:** Cc1cccc(CC(CN)CO)c1.Cl
**Molecular Formula:** C11H18ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9656>. | O=C1Cc2ccccc2C1 | |
What is the building block token for the following molecule? | O=C1Cc2ccccc2C1 | <BB_9656> |
What is the molecular formula for <BB_9656>? | The molecular formula for <BB_9656> (O=C1Cc2ccccc2C1) is C9H8O. | |
Describe the ring structures in building block <BB_9656>. | 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_9656>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9656>. | **Token:** <BB_9656>
**SMILES:** O=C1Cc2ccccc2C1
**Molecular Formula:** C9H8O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_9657>. | CCC(=O)c1cccc(C#N)c1O | |
What is the building block token for the following molecule? | CCC(=O)c1cccc(C#N)c1O | <BB_9657> |
What is the molecular formula for <BB_9657>? | The molecular formula for <BB_9657> (CCC(=O)c1cccc(C#N)c1O) is C10H9NO2. | |
Describe the ring structures in building block <BB_9657>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9657>. | The molecule contains the following groups: Ketone, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9657>. | **Token:** <BB_9657>
**SMILES:** CCC(=O)c1cccc(C#N)c1O
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Nitrile | |
Provide the SMILES representation for the building block token <BB_9658>. | Cc1ccccc1CC(C)NC(=O)CCl | |
What is the building block token for the following molecule? | Cc1ccccc1CC(C)NC(=O)CCl | <BB_9658> |
What is the molecular formula for <BB_9658>? | The molecular formula for <BB_9658> (Cc1ccccc1CC(C)NC(=O)CCl) is C12H16ClNO. | |
Describe the ring structures in building block <BB_9658>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9658>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9658>. | **Token:** <BB_9658>
**SMILES:** Cc1ccccc1CC(C)NC(=O)CCl
**Molecular Formula:** C12H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9659>. | Cl.Cl.NNC1CCNCC1 | |
What is the building block token for the following molecule? | Cl.Cl.NNC1CCNCC1 | <BB_9659> |
What is the molecular formula for <BB_9659>? | The molecular formula for <BB_9659> (Cl.Cl.NNC1CCNCC1) is C5H15Cl2N3. | |
Describe the ring structures in building block <BB_9659>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9659>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9659>. | **Token:** <BB_9659>
**SMILES:** Cl.Cl.NNC1CCNCC1
**Molecular Formula:** C5H15Cl2N3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9660>. | COc1cc(C(O)S(=O)(=O)[O-])sn1.[Na+] | |
What is the building block token for the following molecule? | COc1cc(C(O)S(=O)(=O)[O-])sn1.[Na+] | <BB_9660> |
What is the molecular formula for <BB_9660>? | The molecular formula for <BB_9660> (COc1cc(C(O)S(=O)(=O)[O-])sn1.[Na+]) is C5H6NNaO5S2. | |
Describe the ring structures in building block <BB_9660>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9660>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9660>. | **Token:** <BB_9660>
**SMILES:** COc1cc(C(O)S(=O)(=O)[O-])sn1.[Na+]
**Molecular Formula:** C5H6NNaO5S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9661>. | CC(=O)NC1(C(=O)O)CCC1 | |
What is the building block token for the following molecule? | CC(=O)NC1(C(=O)O)CCC1 | <BB_9661> |
What is the molecular formula for <BB_9661>? | The molecular formula for <BB_9661> (CC(=O)NC1(C(=O)O)CCC1) is C7H11NO3. | |
Describe the ring structures in building block <BB_9661>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9661>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9661>. | **Token:** <BB_9661>
**SMILES:** CC(=O)NC1(C(=O)O)CCC1
**Molecular Formula:** C7H11NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9662>. | Cc1ccc(-c2csc(NN)n2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(-c2csc(NN)n2)cc1 | <BB_9662> |
What is the molecular formula for <BB_9662>? | The molecular formula for <BB_9662> (Cc1ccc(-c2csc(NN)n2)cc1) is C10H11N3S. | |
Describe the ring structures in building block <BB_9662>. | 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_9662>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9662>. | **Token:** <BB_9662>
**SMILES:** Cc1ccc(-c2csc(NN)n2)cc1
**Molecular Formula:** C10H11N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9663>. | CC(C)CC(CO)CNC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CC(C)CC(CO)CNC(=O)OC(C)(C)C | <BB_9663> |
What is the molecular formula for <BB_9663>? | The molecular formula for <BB_9663> (CC(C)CC(CO)CNC(=O)OC(C)(C)C) is C12H25NO3. | |
Describe the ring structures in building block <BB_9663>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9663>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9663>. | **Token:** <BB_9663>
**SMILES:** CC(C)CC(CO)CNC(=O)OC(C)(C)C
**Molecular Formula:** C12H25NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9664>. | Clc1nnc(-c2ccon2)s1 | |
What is the building block token for the following molecule? | Clc1nnc(-c2ccon2)s1 | <BB_9664> |
What is the molecular formula for <BB_9664>? | The molecular formula for <BB_9664> (Clc1nnc(-c2ccon2)s1) is C5H2ClN3OS. | |
Describe the ring structures in building block <BB_9664>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9664>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9664>. | **Token:** <BB_9664>
**SMILES:** Clc1nnc(-c2ccon2)s1
**Molecular Formula:** C5H2ClN3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9665>. | COC(=O)CC1CN(C(=O)Cl)C1 | |
What is the building block token for the following molecule? | COC(=O)CC1CN(C(=O)Cl)C1 | <BB_9665> |
What is the molecular formula for <BB_9665>? | The molecular formula for <BB_9665> (COC(=O)CC1CN(C(=O)Cl)C1) is C7H10ClNO3. | |
Describe the ring structures in building block <BB_9665>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9665>. | The molecule contains the following groups: Amide, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9665>. | **Token:** <BB_9665>
**SMILES:** COC(=O)CC1CN(C(=O)Cl)C1
**Molecular Formula:** C7H10ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9666>. | COC(=O)/C=C/[N+](=O)[O-] | |
What is the building block token for the following molecule? | COC(=O)/C=C/[N+](=O)[O-] | <BB_9666> |
What is the molecular formula for <BB_9666>? | The molecular formula for <BB_9666> (COC(=O)/C=C/[N+](=O)[O-]) is C4H5NO4. | |
Describe the ring structures in building block <BB_9666>. | The molecule is acyclic (contains no rings). |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.