instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2950>. | Nc1c(Br)cc(F)cc1OC(F)F | |
What is the building block token for the following molecule? | Nc1c(Br)cc(F)cc1OC(F)F | <BB_2950> |
What is the molecular formula for <BB_2950>? | The molecular formula for <BB_2950> (Nc1c(Br)cc(F)cc1OC(F)F) is C7H5BrF3NO. | |
Describe the ring structures in building block <BB_2950>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2950>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2950>. | **Token:** <BB_2950>
**SMILES:** Nc1c(Br)cc(F)cc1OC(F)F
**Molecular Formula:** C7H5BrF3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2951>. | Cc1cccc(C(C(=O)O)N2CCNCC2)c1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cccc(C(C(=O)O)N2CCNCC2)c1.Cl.Cl | <BB_2951> |
What is the molecular formula for <BB_2951>? | The molecular formula for <BB_2951> (Cc1cccc(C(C(=O)O)N2CCNCC2)c1.Cl.Cl) is C13H20Cl2N2O2. | |
Describe the ring structures in building block <BB_2951>. | 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_2951>. | 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_2951>. | **Token:** <BB_2951>
**SMILES:** Cc1cccc(C(C(=O)O)N2CCNCC2)c1.Cl.Cl
**Molecular Formula:** C13H20Cl2N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_2952>. | C#Cc1cccnc1OC | |
What is the building block token for the following molecule? | C#Cc1cccnc1OC | <BB_2952> |
What is the molecular formula for <BB_2952>? | The molecular formula for <BB_2952> (C#Cc1cccnc1OC) is C8H7NO. | |
Describe the ring structures in building block <BB_2952>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2952>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2952>. | **Token:** <BB_2952>
**SMILES:** C#Cc1cccnc1OC
**Molecular Formula:** C8H7NO
**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_2953>. | C=C(CO)c1ccc(OC)nc1 | |
What is the building block token for the following molecule? | C=C(CO)c1ccc(OC)nc1 | <BB_2953> |
What is the molecular formula for <BB_2953>? | The molecular formula for <BB_2953> (C=C(CO)c1ccc(OC)nc1) is C9H11NO2. | |
Describe the ring structures in building block <BB_2953>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2953>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2953>. | **Token:** <BB_2953>
**SMILES:** C=C(CO)c1ccc(OC)nc1
**Molecular Formula:** C9H11NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2954>. | Nc1ccn(-c2ccc(Cl)cc2Cl)n1 | |
What is the building block token for the following molecule? | Nc1ccn(-c2ccc(Cl)cc2Cl)n1 | <BB_2954> |
What is the molecular formula for <BB_2954>? | The molecular formula for <BB_2954> (Nc1ccn(-c2ccc(Cl)cc2Cl)n1) is C9H7Cl2N3. | |
Describe the ring structures in building block <BB_2954>. | 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_2954>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2954>. | **Token:** <BB_2954>
**SMILES:** Nc1ccn(-c2ccc(Cl)cc2Cl)n1
**Molecular Formula:** C9H7Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2955>. | Cl.NC(c1ccccc1)C(F)F | |
What is the building block token for the following molecule? | Cl.NC(c1ccccc1)C(F)F | <BB_2955> |
What is the molecular formula for <BB_2955>? | The molecular formula for <BB_2955> (Cl.NC(c1ccccc1)C(F)F) is C8H10ClF2N. | |
Describe the ring structures in building block <BB_2955>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2955>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2955>. | **Token:** <BB_2955>
**SMILES:** Cl.NC(c1ccccc1)C(F)F
**Molecular Formula:** C8H10ClF2N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2956>. | Cl.Cl.c1cc2cc(N3CCNCC3)ccc2o1 | |
What is the building block token for the following molecule? | Cl.Cl.c1cc2cc(N3CCNCC3)ccc2o1 | <BB_2956> |
What is the molecular formula for <BB_2956>? | The molecular formula for <BB_2956> (Cl.Cl.c1cc2cc(N3CCNCC3)ccc2o1) is C12H16Cl2N2O. | |
Describe the ring structures in building block <BB_2956>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2956>. | 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_2956>. | **Token:** <BB_2956>
**SMILES:** Cl.Cl.c1cc2cc(N3CCNCC3)ccc2o1
**Molecular Formula:** C12H16Cl2N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, 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_2957>. | Cl.NC(CC(=O)O)C1CCCCCC1 | |
What is the building block token for the following molecule? | Cl.NC(CC(=O)O)C1CCCCCC1 | <BB_2957> |
What is the molecular formula for <BB_2957>? | The molecular formula for <BB_2957> (Cl.NC(CC(=O)O)C1CCCCCC1) is C10H20ClNO2. | |
Describe the ring structures in building block <BB_2957>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2957>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2957>. | **Token:** <BB_2957>
**SMILES:** Cl.NC(CC(=O)O)C1CCCCCC1
**Molecular Formula:** C10H20ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2958>. | Cl.FC1(F)CCNCC1CS | |
What is the building block token for the following molecule? | Cl.FC1(F)CCNCC1CS | <BB_2958> |
What is the molecular formula for <BB_2958>? | The molecular formula for <BB_2958> (Cl.FC1(F)CCNCC1CS) is C6H12ClF2NS. | |
Describe the ring structures in building block <BB_2958>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2958>. | The molecule contains the following groups: Secondary Amine, Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2958>. | **Token:** <BB_2958>
**SMILES:** Cl.FC1(F)CCNCC1CS
**Molecular Formula:** C6H12ClF2NS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2959>. | CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1.Cl | <BB_2959> |
What is the molecular formula for <BB_2959>? | The molecular formula for <BB_2959> (CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1.Cl) is C14H17ClN4. | |
Describe the ring structures in building block <BB_2959>. | 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_2959>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2959>. | **Token:** <BB_2959>
**SMILES:** CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1.Cl
**Molecular Formula:** C14H17ClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2960>. | C1=C(c2ccncc2)CCCC1.Cl | |
What is the building block token for the following molecule? | C1=C(c2ccncc2)CCCC1.Cl | <BB_2960> |
What is the molecular formula for <BB_2960>? | The molecular formula for <BB_2960> (C1=C(c2ccncc2)CCCC1.Cl) is C11H14ClN. | |
Describe the ring structures in building block <BB_2960>. | 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_2960>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2960>. | **Token:** <BB_2960>
**SMILES:** C1=C(c2ccncc2)CCCC1.Cl
**Molecular Formula:** C11H14ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_2961>. | Cc1n[nH]c2cc(CN)ccc12.Cl.Cl | |
What is the building block token for the following molecule? | Cc1n[nH]c2cc(CN)ccc12.Cl.Cl | <BB_2961> |
What is the molecular formula for <BB_2961>? | The molecular formula for <BB_2961> (Cc1n[nH]c2cc(CN)ccc12.Cl.Cl) is C9H13Cl2N3. | |
Describe the ring structures in building block <BB_2961>. | 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_2961>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2961>. | **Token:** <BB_2961>
**SMILES:** Cc1n[nH]c2cc(CN)ccc12.Cl.Cl
**Molecular Formula:** C9H13Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2962>. | CNCCc1cccc(N)c1.Cl | |
What is the building block token for the following molecule? | CNCCc1cccc(N)c1.Cl | <BB_2962> |
What is the molecular formula for <BB_2962>? | The molecular formula for <BB_2962> (CNCCc1cccc(N)c1.Cl) is C9H15ClN2. | |
Describe the ring structures in building block <BB_2962>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2962>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2962>. | **Token:** <BB_2962>
**SMILES:** CNCCc1cccc(N)c1.Cl
**Molecular Formula:** C9H15ClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2963>. | O=Cc1ccccc1OCc1ccccc1F | |
What is the building block token for the following molecule? | O=Cc1ccccc1OCc1ccccc1F | <BB_2963> |
What is the molecular formula for <BB_2963>? | The molecular formula for <BB_2963> (O=Cc1ccccc1OCc1ccccc1F) is C14H11FO2. | |
Describe the ring structures in building block <BB_2963>. | 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_2963>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2963>. | **Token:** <BB_2963>
**SMILES:** O=Cc1ccccc1OCc1ccccc1F
**Molecular Formula:** C14H11FO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2964>. | COC(=O)c1ccc2c(c1)C(C)CN2.Cl | |
What is the building block token for the following molecule? | COC(=O)c1ccc2c(c1)C(C)CN2.Cl | <BB_2964> |
What is the molecular formula for <BB_2964>? | The molecular formula for <BB_2964> (COC(=O)c1ccc2c(c1)C(C)CN2.Cl) is C11H14ClNO2. | |
Describe the ring structures in building block <BB_2964>. | 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_2964>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2964>. | **Token:** <BB_2964>
**SMILES:** COC(=O)c1ccc2c(c1)C(C)CN2.Cl
**Molecular Formula:** C11H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2965>. | NC(=NO)c1nnc(Br)s1 | |
What is the building block token for the following molecule? | NC(=NO)c1nnc(Br)s1 | <BB_2965> |
What is the molecular formula for <BB_2965>? | The molecular formula for <BB_2965> (NC(=NO)c1nnc(Br)s1) is C3H3BrN4OS. | |
Describe the ring structures in building block <BB_2965>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2965>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2965>. | **Token:** <BB_2965>
**SMILES:** NC(=NO)c1nnc(Br)s1
**Molecular Formula:** C3H3BrN4OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2966>. | CC(C)(C)OC(=O)N1CCC(n2ccc(N)n2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(n2ccc(N)n2)C1 | <BB_2966> |
What is the molecular formula for <BB_2966>? | The molecular formula for <BB_2966> (CC(C)(C)OC(=O)N1CCC(n2ccc(N)n2)C1) is C12H20N4O2. | |
Describe the ring structures in building block <BB_2966>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.