instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2533>? | The molecular formula for <BB_2533> (O=Cc1cccc(F)c1Br) is C7H4BrFO. | |
Describe the ring structures in building block <BB_2533>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2533>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2533>. | **Token:** <BB_2533>
**SMILES:** O=Cc1cccc(F)c1Br
**Molecular Formula:** C7H4BrFO
**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_2534>. | O=C1CCCN1c1ccc(O)cc1 | |
What is the building block token for the following molecule? | O=C1CCCN1c1ccc(O)cc1 | <BB_2534> |
What is the molecular formula for <BB_2534>? | The molecular formula for <BB_2534> (O=C1CCCN1c1ccc(O)cc1) is C10H11NO2. | |
Describe the ring structures in building block <BB_2534>. | 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_2534>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2534>. | **Token:** <BB_2534>
**SMILES:** O=C1CCCN1c1ccc(O)cc1
**Molecular Formula:** C10H11NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2535>. | Cl.NCc1ccc(OC(F)(F)F)nc1 | |
What is the building block token for the following molecule? | Cl.NCc1ccc(OC(F)(F)F)nc1 | <BB_2535> |
What is the molecular formula for <BB_2535>? | The molecular formula for <BB_2535> (Cl.NCc1ccc(OC(F)(F)F)nc1) is C7H8ClF3N2O. | |
Describe the ring structures in building block <BB_2535>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2535>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2535>. | **Token:** <BB_2535>
**SMILES:** Cl.NCc1ccc(OC(F)(F)F)nc1
**Molecular Formula:** C7H8ClF3N2O
**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_2536>. | Cc1cnc(-c2ccoc2)nc1N | |
What is the building block token for the following molecule? | Cc1cnc(-c2ccoc2)nc1N | <BB_2536> |
What is the molecular formula for <BB_2536>? | The molecular formula for <BB_2536> (Cc1cnc(-c2ccoc2)nc1N) is C9H9N3O. | |
Describe the ring structures in building block <BB_2536>. | 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_2536>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2536>. | **Token:** <BB_2536>
**SMILES:** Cc1cnc(-c2ccoc2)nc1N
**Molecular Formula:** C9H9N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2537>. | CN(CC(F)(F)F)C1CCC(CO)CC1 | |
What is the building block token for the following molecule? | CN(CC(F)(F)F)C1CCC(CO)CC1 | <BB_2537> |
What is the molecular formula for <BB_2537>? | The molecular formula for <BB_2537> (CN(CC(F)(F)F)C1CCC(CO)CC1) is C10H18F3NO. | |
Describe the ring structures in building block <BB_2537>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2537>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2537>. | **Token:** <BB_2537>
**SMILES:** CN(CC(F)(F)F)C1CCC(CO)CC1
**Molecular Formula:** C10H18F3NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2538>. | O=C1COCC(CC2CNc3ccccc32)N1 | |
What is the building block token for the following molecule? | O=C1COCC(CC2CNc3ccccc32)N1 | <BB_2538> |
What is the molecular formula for <BB_2538>? | The molecular formula for <BB_2538> (O=C1COCC(CC2CNc3ccccc32)N1) is C13H16N2O2. | |
Describe the ring structures in building block <BB_2538>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2538>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2538>. | **Token:** <BB_2538>
**SMILES:** O=C1COCC(CC2CNc3ccccc32)N1
**Molecular Formula:** C13H16N2O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2539>. | COC(=O)C12CC(C=O)(CO1)C2 | |
What is the building block token for the following molecule? | COC(=O)C12CC(C=O)(CO1)C2 | <BB_2539> |
What is the molecular formula for <BB_2539>? | The molecular formula for <BB_2539> (COC(=O)C12CC(C=O)(CO1)C2) is C8H10O4. | |
Describe the ring structures in building block <BB_2539>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2539>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2539>. | **Token:** <BB_2539>
**SMILES:** COC(=O)C12CC(C=O)(CO1)C2
**Molecular Formula:** C8H10O4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2540>. | CCC1CCCN1c1cc(C(=O)O)ccn1 | |
What is the building block token for the following molecule? | CCC1CCCN1c1cc(C(=O)O)ccn1 | <BB_2540> |
What is the molecular formula for <BB_2540>? | The molecular formula for <BB_2540> (CCC1CCCN1c1cc(C(=O)O)ccn1) is C12H16N2O2. | |
Describe the ring structures in building block <BB_2540>. | 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_2540>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2540>. | **Token:** <BB_2540>
**SMILES:** CCC1CCCN1c1cc(C(=O)O)ccn1
**Molecular Formula:** C12H16N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2541>. | NC(=O)c1cccc(Oc2ccc(N)nc2)c1 | |
What is the building block token for the following molecule? | NC(=O)c1cccc(Oc2ccc(N)nc2)c1 | <BB_2541> |
What is the molecular formula for <BB_2541>? | The molecular formula for <BB_2541> (NC(=O)c1cccc(Oc2ccc(N)nc2)c1) is C12H11N3O2. | |
Describe the ring structures in building block <BB_2541>. | 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_2541>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2541>. | **Token:** <BB_2541>
**SMILES:** NC(=O)c1cccc(Oc2ccc(N)nc2)c1
**Molecular Formula:** C12H11N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2542>. | COc1cc2c(cc1OC)CC(=O)NCC2 | |
What is the building block token for the following molecule? | COc1cc2c(cc1OC)CC(=O)NCC2 | <BB_2542> |
What is the molecular formula for <BB_2542>? | The molecular formula for <BB_2542> (COc1cc2c(cc1OC)CC(=O)NCC2) is C12H15NO3. | |
Describe the ring structures in building block <BB_2542>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2542>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2542>. | **Token:** <BB_2542>
**SMILES:** COc1cc2c(cc1OC)CC(=O)NCC2
**Molecular Formula:** C12H15NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2543>. | OCc1ccc2c(c1)CCCS2 | |
What is the building block token for the following molecule? | OCc1ccc2c(c1)CCCS2 | <BB_2543> |
What is the molecular formula for <BB_2543>? | The molecular formula for <BB_2543> (OCc1ccc2c(c1)CCCS2) is C10H12OS. | |
Describe the ring structures in building block <BB_2543>. | 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_2543>. | The molecule contains the following groups: Alcohol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2543>. | **Token:** <BB_2543>
**SMILES:** OCc1ccc2c(c1)CCCS2
**Molecular Formula:** C10H12OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Sulfide | |
Provide the SMILES representation for the building block token <BB_2544>. | CC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[C@@H]1CN2.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[C@@H]1CN2.Cl | <BB_2544> |
What is the molecular formula for <BB_2544>? | The molecular formula for <BB_2544> (CC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[C@@H]1CN2.Cl) is C12H23ClN2O2. | |
Describe the ring structures in building block <BB_2544>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2544>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2544>. | **Token:** <BB_2544>
**SMILES:** CC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[C@@H]1CN2.Cl
**Molecular Formula:** C12H23ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2545>. | Fc1ccc(N2CCNCC2)c(Cl)c1 | |
What is the building block token for the following molecule? | Fc1ccc(N2CCNCC2)c(Cl)c1 | <BB_2545> |
What is the molecular formula for <BB_2545>? | The molecular formula for <BB_2545> (Fc1ccc(N2CCNCC2)c(Cl)c1) is C10H12ClFN2. | |
Describe the ring structures in building block <BB_2545>. | 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_2545>. | 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_2545>. | **Token:** <BB_2545>
**SMILES:** Fc1ccc(N2CCNCC2)c(Cl)c1
**Molecular Formula:** C10H12ClFN2
**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) | |
Provide the SMILES representation for the building block token <BB_2546>. | Clc1cc2c(Br)cccc2c(Cl)n1 | |
What is the building block token for the following molecule? | Clc1cc2c(Br)cccc2c(Cl)n1 | <BB_2546> |
What is the molecular formula for <BB_2546>? | The molecular formula for <BB_2546> (Clc1cc2c(Br)cccc2c(Cl)n1) is C9H4BrCl2N. | |
Describe the ring structures in building block <BB_2546>. | 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_2546>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2546>. | **Token:** <BB_2546>
**SMILES:** Clc1cc2c(Br)cccc2c(Cl)n1
**Molecular Formula:** C9H4BrCl2N
**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_2547>. | O=c1[nH]c(CBr)nc2ccsc12 | |
What is the building block token for the following molecule? | O=c1[nH]c(CBr)nc2ccsc12 | <BB_2547> |
What is the molecular formula for <BB_2547>? | The molecular formula for <BB_2547> (O=c1[nH]c(CBr)nc2ccsc12) is C7H5BrN2OS. | |
Describe the ring structures in building block <BB_2547>. | 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_2547>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2547>. | **Token:** <BB_2547>
**SMILES:** O=c1[nH]c(CBr)nc2ccsc12
**Molecular Formula:** C7H5BrN2OS
**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_2548>. | CC(=O)CCc1ccc(OCCC(=O)O)cc1 | |
What is the building block token for the following molecule? | CC(=O)CCc1ccc(OCCC(=O)O)cc1 | <BB_2548> |
What is the molecular formula for <BB_2548>? | The molecular formula for <BB_2548> (CC(=O)CCc1ccc(OCCC(=O)O)cc1) is C13H16O4. | |
Describe the ring structures in building block <BB_2548>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2548>. | The molecule contains the following groups: Carboxylic Acid, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2548>. | **Token:** <BB_2548>
**SMILES:** CC(=O)CCc1ccc(OCCC(=O)O)cc1
**Molecular Formula:** C13H16O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_2549>. | Cc1cnc(C=O)c(Br)c1 | |
What is the building block token for the following molecule? | Cc1cnc(C=O)c(Br)c1 | <BB_2549> |
What is the molecular formula for <BB_2549>? | The molecular formula for <BB_2549> (Cc1cnc(C=O)c(Br)c1) is C7H6BrNO. | |
Describe the ring structures in building block <BB_2549>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2549>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2549>. | **Token:** <BB_2549>
**SMILES:** Cc1cnc(C=O)c(Br)c1
**Molecular Formula:** C7H6BrNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) |
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