instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1000>. | CN(C)C(=O)c1cnc(Br)s1 | |
What is the building block token for the following molecule? | CN(C)C(=O)c1cnc(Br)s1 | <BB_1000> |
What is the molecular formula for <BB_1000>? | The molecular formula for <BB_1000> (CN(C)C(=O)c1cnc(Br)s1) is C6H7BrN2OS. | |
Describe the ring structures in building block <BB_1000>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1000>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1000>. | **Token:** <BB_1000>
**SMILES:** CN(C)C(=O)c1cnc(Br)s1
**Molecular Formula:** C6H7BrN2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1001>. | CCC/C=C(/C=O)CC | |
What is the building block token for the following molecule? | CCC/C=C(/C=O)CC | <BB_1001> |
What is the molecular formula for <BB_1001>? | The molecular formula for <BB_1001> (CCC/C=C(/C=O)CC) is C8H14O. | |
Describe the ring structures in building block <BB_1001>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1001>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1001>. | **Token:** <BB_1001>
**SMILES:** CCC/C=C(/C=O)CC
**Molecular Formula:** C8H14O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1002>. | Cc1c(Cl)nn2cnnc2c1C | |
What is the building block token for the following molecule? | Cc1c(Cl)nn2cnnc2c1C | <BB_1002> |
What is the molecular formula for <BB_1002>? | The molecular formula for <BB_1002> (Cc1c(Cl)nn2cnnc2c1C) is C7H7ClN4. | |
Describe the ring structures in building block <BB_1002>. | 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_1002>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1002>. | **Token:** <BB_1002>
**SMILES:** Cc1c(Cl)nn2cnnc2c1C
**Molecular Formula:** C7H7ClN4
**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_1003>. | Cc1nsc(C)c1CCl.Cl | |
What is the building block token for the following molecule? | Cc1nsc(C)c1CCl.Cl | <BB_1003> |
What is the molecular formula for <BB_1003>? | The molecular formula for <BB_1003> (Cc1nsc(C)c1CCl.Cl) is C6H9Cl2NS. | |
Describe the ring structures in building block <BB_1003>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1003>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1003>. | **Token:** <BB_1003>
**SMILES:** Cc1nsc(C)c1CCl.Cl
**Molecular Formula:** C6H9Cl2NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1004>. | Cc1occ(C(F)(F)F)c1C(N)=O | |
What is the building block token for the following molecule? | Cc1occ(C(F)(F)F)c1C(N)=O | <BB_1004> |
What is the molecular formula for <BB_1004>? | The molecular formula for <BB_1004> (Cc1occ(C(F)(F)F)c1C(N)=O) is C7H6F3NO2. | |
Describe the ring structures in building block <BB_1004>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1004>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1004>. | **Token:** <BB_1004>
**SMILES:** Cc1occ(C(F)(F)F)c1C(N)=O
**Molecular Formula:** C7H6F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1005>. | OCc1ccc(OC(F)(F)F)cc1Cl | |
What is the building block token for the following molecule? | OCc1ccc(OC(F)(F)F)cc1Cl | <BB_1005> |
What is the molecular formula for <BB_1005>? | The molecular formula for <BB_1005> (OCc1ccc(OC(F)(F)F)cc1Cl) is C8H6ClF3O2. | |
Describe the ring structures in building block <BB_1005>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1005>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1005>. | **Token:** <BB_1005>
**SMILES:** OCc1ccc(OC(F)(F)F)cc1Cl
**Molecular Formula:** C8H6ClF3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1006>. | COC(=O)[C@@H](N)c1ccc(O)cc1.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H](N)c1ccc(O)cc1.Cl | <BB_1006> |
What is the molecular formula for <BB_1006>? | The molecular formula for <BB_1006> (COC(=O)[C@@H](N)c1ccc(O)cc1.Cl) is C9H12ClNO3. | |
Describe the ring structures in building block <BB_1006>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1006>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1006>. | **Token:** <BB_1006>
**SMILES:** COC(=O)[C@@H](N)c1ccc(O)cc1.Cl
**Molecular Formula:** C9H12ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1007>. | CC(C)(C)OC(=O)N1CCC(=O)CC1C(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(=O)CC1C(F)F | <BB_1007> |
What is the molecular formula for <BB_1007>? | The molecular formula for <BB_1007> (CC(C)(C)OC(=O)N1CCC(=O)CC1C(F)F) is C11H17F2NO3. | |
Describe the ring structures in building block <BB_1007>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1007>. | The molecule contains the following groups: Amide, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1007>. | **Token:** <BB_1007>
**SMILES:** CC(C)(C)OC(=O)N1CCC(=O)CC1C(F)F
**Molecular Formula:** C11H17F2NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1008>. | CC(CN)c1ccc(Cl)c(Cl)c1.Cl | |
What is the building block token for the following molecule? | CC(CN)c1ccc(Cl)c(Cl)c1.Cl | <BB_1008> |
What is the molecular formula for <BB_1008>? | The molecular formula for <BB_1008> (CC(CN)c1ccc(Cl)c(Cl)c1.Cl) is C9H12Cl3N. | |
Describe the ring structures in building block <BB_1008>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1008>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1008>. | **Token:** <BB_1008>
**SMILES:** CC(CN)c1ccc(Cl)c(Cl)c1.Cl
**Molecular Formula:** C9H12Cl3N
**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_1009>. | O=C(O)C1(c2ccno2)CCOCC1 | |
What is the building block token for the following molecule? | O=C(O)C1(c2ccno2)CCOCC1 | <BB_1009> |
What is the molecular formula for <BB_1009>? | The molecular formula for <BB_1009> (O=C(O)C1(c2ccno2)CCOCC1) is C9H11NO4. | |
Describe the ring structures in building block <BB_1009>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1009>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1009>. | **Token:** <BB_1009>
**SMILES:** O=C(O)C1(c2ccno2)CCOCC1
**Molecular Formula:** C9H11NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1010>. | C=CCC(N)Cc1ccccc1 | |
What is the building block token for the following molecule? | C=CCC(N)Cc1ccccc1 | <BB_1010> |
What is the molecular formula for <BB_1010>? | The molecular formula for <BB_1010> (C=CCC(N)Cc1ccccc1) is C11H15N. | |
Describe the ring structures in building block <BB_1010>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1010>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1010>. | **Token:** <BB_1010>
**SMILES:** C=CCC(N)Cc1ccccc1
**Molecular Formula:** C11H15N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1011>. | CC1(C)OB(c2cc(C#N)ccc2F)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cc(C#N)ccc2F)OC1(C)C | <BB_1011> |
What is the molecular formula for <BB_1011>? | The molecular formula for <BB_1011> (CC1(C)OB(c2cc(C#N)ccc2F)OC1(C)C) is C13H15BFNO2. | |
Describe the ring structures in building block <BB_1011>. | 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_1011>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1011>. | **Token:** <BB_1011>
**SMILES:** CC1(C)OB(c2cc(C#N)ccc2F)OC1(C)C
**Molecular Formula:** C13H15BFNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1012>. | Cc1ccc(C=CC=O)cn1 | |
What is the building block token for the following molecule? | Cc1ccc(C=CC=O)cn1 | <BB_1012> |
What is the molecular formula for <BB_1012>? | The molecular formula for <BB_1012> (Cc1ccc(C=CC=O)cn1) is C9H9NO. | |
Describe the ring structures in building block <BB_1012>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1012>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1012>. | **Token:** <BB_1012>
**SMILES:** Cc1ccc(C=CC=O)cn1
**Molecular Formula:** C9H9NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1013>. | BrCCCOC1CCC1 | |
What is the building block token for the following molecule? | BrCCCOC1CCC1 | <BB_1013> |
What is the molecular formula for <BB_1013>? | The molecular formula for <BB_1013> (BrCCCOC1CCC1) is C7H13BrO. | |
Describe the ring structures in building block <BB_1013>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1013>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1013>. | **Token:** <BB_1013>
**SMILES:** BrCCCOC1CCC1
**Molecular Formula:** C7H13BrO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1014>. | c1ccc(COc2ccc3cc[nH]c3c2)cc1 | |
What is the building block token for the following molecule? | c1ccc(COc2ccc3cc[nH]c3c2)cc1 | <BB_1014> |
What is the molecular formula for <BB_1014>? | The molecular formula for <BB_1014> (c1ccc(COc2ccc3cc[nH]c3c2)cc1) is C15H13NO. | |
Describe the ring structures in building block <BB_1014>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1014>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1014>. | **Token:** <BB_1014>
**SMILES:** c1ccc(COc2ccc3cc[nH]c3c2)cc1
**Molecular Formula:** C15H13NO
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1015>. | COc1cc(N2CCN(C)CC2)ccc1N | |
What is the building block token for the following molecule? | COc1cc(N2CCN(C)CC2)ccc1N | <BB_1015> |
What is the molecular formula for <BB_1015>? | The molecular formula for <BB_1015> (COc1cc(N2CCN(C)CC2)ccc1N) is C12H19N3O. | |
Describe the ring structures in building block <BB_1015>. | 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_1015>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1015>. | **Token:** <BB_1015>
**SMILES:** COc1cc(N2CCN(C)CC2)ccc1N
**Molecular Formula:** C12H19N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1016>. | CC(C)N1CCC(=O)NC1=O | |
What is the building block token for the following molecule? | CC(C)N1CCC(=O)NC1=O | <BB_1016> |
What is the molecular formula for <BB_1016>? | The molecular formula for <BB_1016> (CC(C)N1CCC(=O)NC1=O) is C7H12N2O2. | |
Describe the ring structures in building block <BB_1016>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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