instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_366>. | The molecule contains the following groups: Secondary Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_366>. | **Token:** <BB_366>
**SMILES:** Cl.O=C(c1ccccc1)C1CCCN1
**Molecular Formula:** C11H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_367>. | O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 | |
What is the building block token for the following molecule? | O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 | <BB_367> |
What is the molecular formula for <BB_367>? | The molecular formula for <BB_367> (O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1) is C7H10O3S. | |
Describe the ring structures in building block <BB_367>. | 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_367>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_367>. | **Token:** <BB_367>
**SMILES:** O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1
**Molecular Formula:** C7H10O3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_368>. | CCc1ccc2occ(C=O)c(=O)c2c1 | |
What is the building block token for the following molecule? | CCc1ccc2occ(C=O)c(=O)c2c1 | <BB_368> |
What is the molecular formula for <BB_368>? | The molecular formula for <BB_368> (CCc1ccc2occ(C=O)c(=O)c2c1) is C12H10O3. | |
Describe the ring structures in building block <BB_368>. | 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_368>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_368>. | **Token:** <BB_368>
**SMILES:** CCc1ccc2occ(C=O)c(=O)c2c1
**Molecular Formula:** C12H10O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_369>. | Ic1ccc(-c2ccccc2)nc1 | |
What is the building block token for the following molecule? | Ic1ccc(-c2ccccc2)nc1 | <BB_369> |
What is the molecular formula for <BB_369>? | The molecular formula for <BB_369> (Ic1ccc(-c2ccccc2)nc1) is C11H8IN. | |
Describe the ring structures in building block <BB_369>. | 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_369>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_369>. | **Token:** <BB_369>
**SMILES:** Ic1ccc(-c2ccccc2)nc1
**Molecular Formula:** C11H8IN
**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_370>. | CC(=O)N1CCC(C(=O)Cl)CC1 | |
What is the building block token for the following molecule? | CC(=O)N1CCC(C(=O)Cl)CC1 | <BB_370> |
What is the molecular formula for <BB_370>? | The molecular formula for <BB_370> (CC(=O)N1CCC(C(=O)Cl)CC1) is C8H12ClNO2. | |
Describe the ring structures in building block <BB_370>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_370>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_370>. | **Token:** <BB_370>
**SMILES:** CC(=O)N1CCC(C(=O)Cl)CC1
**Molecular Formula:** C8H12ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_371>. | CNC(C(=O)O)c1ccccc1C(F)(F)F | |
What is the building block token for the following molecule? | CNC(C(=O)O)c1ccccc1C(F)(F)F | <BB_371> |
What is the molecular formula for <BB_371>? | The molecular formula for <BB_371> (CNC(C(=O)O)c1ccccc1C(F)(F)F) is C10H10F3NO2. | |
Describe the ring structures in building block <BB_371>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_371>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_371>. | **Token:** <BB_371>
**SMILES:** CNC(C(=O)O)c1ccccc1C(F)(F)F
**Molecular Formula:** C10H10F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_372>. | Cl.Cl.c1cncc([C@@H]2CCCN2)c1 | |
What is the building block token for the following molecule? | Cl.Cl.c1cncc([C@@H]2CCCN2)c1 | <BB_372> |
What is the molecular formula for <BB_372>? | The molecular formula for <BB_372> (Cl.Cl.c1cncc([C@@H]2CCCN2)c1) is C9H14Cl2N2. | |
Describe the ring structures in building block <BB_372>. | 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_372>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_372>. | **Token:** <BB_372>
**SMILES:** Cl.Cl.c1cncc([C@@H]2CCCN2)c1
**Molecular Formula:** C9H14Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_373>. | C#CCOc1ccc(C=O)cc1C(=O)OC | |
What is the building block token for the following molecule? | C#CCOc1ccc(C=O)cc1C(=O)OC | <BB_373> |
What is the molecular formula for <BB_373>? | The molecular formula for <BB_373> (C#CCOc1ccc(C=O)cc1C(=O)OC) is C12H10O4. | |
Describe the ring structures in building block <BB_373>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_373>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_373>. | **Token:** <BB_373>
**SMILES:** C#CCOc1ccc(C=O)cc1C(=O)OC
**Molecular Formula:** C12H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_374>. | N#Cc1c(F)ccc(F)c1F | |
What is the building block token for the following molecule? | N#Cc1c(F)ccc(F)c1F | <BB_374> |
What is the molecular formula for <BB_374>? | The molecular formula for <BB_374> (N#Cc1c(F)ccc(F)c1F) is C7H2F3N. | |
Describe the ring structures in building block <BB_374>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_374>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_374>. | **Token:** <BB_374>
**SMILES:** N#Cc1c(F)ccc(F)c1F
**Molecular Formula:** C7H2F3N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_375>. | CC1(C)CC(CO)CCO1 | |
What is the building block token for the following molecule? | CC1(C)CC(CO)CCO1 | <BB_375> |
What is the molecular formula for <BB_375>? | The molecular formula for <BB_375> (CC1(C)CC(CO)CCO1) is C8H16O2. | |
Describe the ring structures in building block <BB_375>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_375>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_375>. | **Token:** <BB_375>
**SMILES:** CC1(C)CC(CO)CCO1
**Molecular Formula:** C8H16O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_376>. | CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1 | |
What is the building block token for the following molecule? | CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1 | <BB_376> |
What is the molecular formula for <BB_376>? | The molecular formula for <BB_376> (CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1) is C16H14N2O. | |
Describe the ring structures in building block <BB_376>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_376>. | The molecule contains the following groups: Tertiary Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_376>. | **Token:** <BB_376>
**SMILES:** CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1
**Molecular Formula:** C16H14N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_377>. | COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | |
What is the building block token for the following molecule? | COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | <BB_377> |
What is the molecular formula for <BB_377>? | The molecular formula for <BB_377> (COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1) is C11H11ClN2O5. | |
Describe the ring structures in building block <BB_377>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_377>. | The molecule contains the following groups: Tertiary Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_377>. | **Token:** <BB_377>
**SMILES:** COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
**Molecular Formula:** C11H11ClN2O5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_378>. | Cc1ccc(CBr)s1 | |
What is the building block token for the following molecule? | Cc1ccc(CBr)s1 | <BB_378> |
What is the molecular formula for <BB_378>? | The molecular formula for <BB_378> (Cc1ccc(CBr)s1) is C6H7BrS. | |
Describe the ring structures in building block <BB_378>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_378>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_378>. | **Token:** <BB_378>
**SMILES:** Cc1ccc(CBr)s1
**Molecular Formula:** C6H7BrS
**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_379>. | O=S([O-])c1ccccc1C(F)(F)F.[Na+] | |
What is the building block token for the following molecule? | O=S([O-])c1ccccc1C(F)(F)F.[Na+] | <BB_379> |
What is the molecular formula for <BB_379>? | The molecular formula for <BB_379> (O=S([O-])c1ccccc1C(F)(F)F.[Na+]) is C7H4F3NaO2S. | |
Describe the ring structures in building block <BB_379>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_379>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_379>. | **Token:** <BB_379>
**SMILES:** O=S([O-])c1ccccc1C(F)(F)F.[Na+]
**Molecular Formula:** C7H4F3NaO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_380>. | CC(=O)NCCNC(=O)c1ccccc1N | |
What is the building block token for the following molecule? | CC(=O)NCCNC(=O)c1ccccc1N | <BB_380> |
What is the molecular formula for <BB_380>? | The molecular formula for <BB_380> (CC(=O)NCCNC(=O)c1ccccc1N) is C11H15N3O2. | |
Describe the ring structures in building block <BB_380>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_380>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_380>. | **Token:** <BB_380>
**SMILES:** CC(=O)NCCNC(=O)c1ccccc1N
**Molecular Formula:** C11H15N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_381>. | CC(C)(C)OC(=O)N1C(CN)CCC1(C)C | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C(CN)CCC1(C)C | <BB_381> |
What is the molecular formula for <BB_381>? | The molecular formula for <BB_381> (CC(C)(C)OC(=O)N1C(CN)CCC1(C)C) is C12H24N2O2. | |
Describe the ring structures in building block <BB_381>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_381>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_381>. | **Token:** <BB_381>
**SMILES:** CC(C)(C)OC(=O)N1C(CN)CCC1(C)C
**Molecular Formula:** C12H24N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_382>. | Clc1ncc(-c2ccccc2)o1 | |
What is the building block token for the following molecule? | Clc1ncc(-c2ccccc2)o1 | <BB_382> |
What is the molecular formula for <BB_382>? | The molecular formula for <BB_382> (Clc1ncc(-c2ccccc2)o1) is C9H6ClNO. | |
Describe the ring structures in building block <BB_382>. | 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_382>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_382>. | **Token:** <BB_382>
**SMILES:** Clc1ncc(-c2ccccc2)o1
**Molecular Formula:** C9H6ClNO
**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_383>. | Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1 | |
What is the building block token for the following molecule? | Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1 | <BB_383> |
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