instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2983>? | The molecular formula for <BB_2983> (O=C(O)C(F)(F)F.O=S(=O)(F)CCC1CNC1) is C7H11F4NO4S. | |
Describe the ring structures in building block <BB_2983>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2983>. | 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_2983>. | **Token:** <BB_2983>
**SMILES:** O=C(O)C(F)(F)F.O=S(=O)(F)CCC1CNC1
**Molecular Formula:** C7H11F4NO4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2984>. | Cc1cc(N=[N+]=[N-])ccc1C#N | |
What is the building block token for the following molecule? | Cc1cc(N=[N+]=[N-])ccc1C#N | <BB_2984> |
What is the molecular formula for <BB_2984>? | The molecular formula for <BB_2984> (Cc1cc(N=[N+]=[N-])ccc1C#N) is C8H6N4. | |
Describe the ring structures in building block <BB_2984>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2984>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2984>. | **Token:** <BB_2984>
**SMILES:** Cc1cc(N=[N+]=[N-])ccc1C#N
**Molecular Formula:** C8H6N4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_2985>. | O=C(O)CC1(CC(=O)O)CCCCCC1 | |
What is the building block token for the following molecule? | O=C(O)CC1(CC(=O)O)CCCCCC1 | <BB_2985> |
What is the molecular formula for <BB_2985>? | The molecular formula for <BB_2985> (O=C(O)CC1(CC(=O)O)CCCCCC1) is C11H18O4. | |
Describe the ring structures in building block <BB_2985>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2985>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2985>. | **Token:** <BB_2985>
**SMILES:** O=C(O)CC1(CC(=O)O)CCCCCC1
**Molecular Formula:** C11H18O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2986>. | NNc1ccc(S(=O)(=O)C(F)F)cc1 | |
What is the building block token for the following molecule? | NNc1ccc(S(=O)(=O)C(F)F)cc1 | <BB_2986> |
What is the molecular formula for <BB_2986>? | The molecular formula for <BB_2986> (NNc1ccc(S(=O)(=O)C(F)F)cc1) is C7H8F2N2O2S. | |
Describe the ring structures in building block <BB_2986>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2986>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2986>. | **Token:** <BB_2986>
**SMILES:** NNc1ccc(S(=O)(=O)C(F)F)cc1
**Molecular Formula:** C7H8F2N2O2S
**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_2987>. | C=C(C(=O)OC)c1ccc(Cl)c(F)c1 | |
What is the building block token for the following molecule? | C=C(C(=O)OC)c1ccc(Cl)c(F)c1 | <BB_2987> |
What is the molecular formula for <BB_2987>? | The molecular formula for <BB_2987> (C=C(C(=O)OC)c1ccc(Cl)c(F)c1) is C10H8ClFO2. | |
Describe the ring structures in building block <BB_2987>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2987>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2987>. | **Token:** <BB_2987>
**SMILES:** C=C(C(=O)OC)c1ccc(Cl)c(F)c1
**Molecular Formula:** C10H8ClFO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2988>. | CC(=O)N(c1nc(C=O)cs1)c1ccc(F)cc1F | |
What is the building block token for the following molecule? | CC(=O)N(c1nc(C=O)cs1)c1ccc(F)cc1F | <BB_2988> |
What is the molecular formula for <BB_2988>? | The molecular formula for <BB_2988> (CC(=O)N(c1nc(C=O)cs1)c1ccc(F)cc1F) is C12H8F2N2O2S. | |
Describe the ring structures in building block <BB_2988>. | 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_2988>. | The molecule contains the following groups: Amide, Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2988>. | **Token:** <BB_2988>
**SMILES:** CC(=O)N(c1nc(C=O)cs1)c1ccc(F)cc1F
**Molecular Formula:** C12H8F2N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2989>. | COC(=O)CS(N)(=O)=O | |
What is the building block token for the following molecule? | COC(=O)CS(N)(=O)=O | <BB_2989> |
What is the molecular formula for <BB_2989>? | The molecular formula for <BB_2989> (COC(=O)CS(N)(=O)=O) is C3H7NO4S. | |
Describe the ring structures in building block <BB_2989>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2989>. | The molecule contains the following groups: Amine, Ester, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2989>. | **Token:** <BB_2989>
**SMILES:** COC(=O)CS(N)(=O)=O
**Molecular Formula:** C3H7NO4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2990>. | BrCc1ccc(C2CCOCC2)cc1 | |
What is the building block token for the following molecule? | BrCc1ccc(C2CCOCC2)cc1 | <BB_2990> |
What is the molecular formula for <BB_2990>? | The molecular formula for <BB_2990> (BrCc1ccc(C2CCOCC2)cc1) is C12H15BrO. | |
Describe the ring structures in building block <BB_2990>. | 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_2990>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2990>. | **Token:** <BB_2990>
**SMILES:** BrCc1ccc(C2CCOCC2)cc1
**Molecular Formula:** C12H15BrO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2991>. | CC1(C)CC2(CNC2)C1.Cl | |
What is the building block token for the following molecule? | CC1(C)CC2(CNC2)C1.Cl | <BB_2991> |
What is the molecular formula for <BB_2991>? | The molecular formula for <BB_2991> (CC1(C)CC2(CNC2)C1.Cl) is C8H16ClN. | |
Describe the ring structures in building block <BB_2991>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2991>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2991>. | **Token:** <BB_2991>
**SMILES:** CC1(C)CC2(CNC2)C1.Cl
**Molecular Formula:** C8H16ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2992>. | CC(=O)NCCNc1nc(CC(=O)[O-])cs1.[Li+] | |
What is the building block token for the following molecule? | CC(=O)NCCNc1nc(CC(=O)[O-])cs1.[Li+] | <BB_2992> |
What is the molecular formula for <BB_2992>? | The molecular formula for <BB_2992> (CC(=O)NCCNc1nc(CC(=O)[O-])cs1.[Li+]) is C9H12LiN3O3S. | |
Describe the ring structures in building block <BB_2992>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2992>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2992>. | **Token:** <BB_2992>
**SMILES:** CC(=O)NCCNc1nc(CC(=O)[O-])cs1.[Li+]
**Molecular Formula:** C9H12LiN3O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_2993>. | Br.FC(F)c1cccnc1CBr | |
What is the building block token for the following molecule? | Br.FC(F)c1cccnc1CBr | <BB_2993> |
What is the molecular formula for <BB_2993>? | The molecular formula for <BB_2993> (Br.FC(F)c1cccnc1CBr) is C7H7Br2F2N. | |
Describe the ring structures in building block <BB_2993>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2993>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2993>. | **Token:** <BB_2993>
**SMILES:** Br.FC(F)c1cccnc1CBr
**Molecular Formula:** C7H7Br2F2N
**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_2994>. | COC(=O)C(S)C1CC1 | |
What is the building block token for the following molecule? | COC(=O)C(S)C1CC1 | <BB_2994> |
What is the molecular formula for <BB_2994>? | The molecular formula for <BB_2994> (COC(=O)C(S)C1CC1) is C6H10O2S. | |
Describe the ring structures in building block <BB_2994>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2994>. | The molecule contains the following groups: Ester, Ether, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_2994>. | **Token:** <BB_2994>
**SMILES:** COC(=O)C(S)C1CC1
**Molecular Formula:** C6H10O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether, Thiol | |
Provide the SMILES representation for the building block token <BB_2995>. | O=C(CCl)c1csc(N2CCCCC2)n1 | |
What is the building block token for the following molecule? | O=C(CCl)c1csc(N2CCCCC2)n1 | <BB_2995> |
What is the molecular formula for <BB_2995>? | The molecular formula for <BB_2995> (O=C(CCl)c1csc(N2CCCCC2)n1) is C10H13ClN2OS. | |
Describe the ring structures in building block <BB_2995>. | 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_2995>. | The molecule contains the following groups: Tertiary Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2995>. | **Token:** <BB_2995>
**SMILES:** O=C(CCl)c1csc(N2CCCCC2)n1
**Molecular Formula:** C10H13ClN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2996>. | Cc1c(CCl)noc1-c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | Cc1c(CCl)noc1-c1ccc(Cl)cc1 | <BB_2996> |
What is the molecular formula for <BB_2996>? | The molecular formula for <BB_2996> (Cc1c(CCl)noc1-c1ccc(Cl)cc1) is C11H9Cl2NO. | |
Describe the ring structures in building block <BB_2996>. | 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_2996>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2996>. | **Token:** <BB_2996>
**SMILES:** Cc1c(CCl)noc1-c1ccc(Cl)cc1
**Molecular Formula:** C11H9Cl2NO
**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_2997>. | O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1 | |
What is the building block token for the following molecule? | O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1 | <BB_2997> |
What is the molecular formula for <BB_2997>? | The molecular formula for <BB_2997> (O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1) is C13H15NO5. | |
Describe the ring structures in building block <BB_2997>. | 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_2997>. | The molecule contains the following groups: Carboxylic Acid, Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2997>. | **Token:** <BB_2997>
**SMILES:** O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1
**Molecular Formula:** C13H15NO5
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2998>. | COC(=O)c1ccc(CN)nc1C.Cl | |
What is the building block token for the following molecule? | COC(=O)c1ccc(CN)nc1C.Cl | <BB_2998> |
What is the molecular formula for <BB_2998>? | The molecular formula for <BB_2998> (COC(=O)c1ccc(CN)nc1C.Cl) is C9H13ClN2O2. | |
Describe the ring structures in building block <BB_2998>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2998>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2998>. | **Token:** <BB_2998>
**SMILES:** COC(=O)c1ccc(CN)nc1C.Cl
**Molecular Formula:** C9H13ClN2O2
**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_2999>. | O=C(O)[C@@H]1CC2(CN1)OCCO2 | |
What is the building block token for the following molecule? | O=C(O)[C@@H]1CC2(CN1)OCCO2 | <BB_2999> |
What is the molecular formula for <BB_2999>? | The molecular formula for <BB_2999> (O=C(O)[C@@H]1CC2(CN1)OCCO2) is C7H11NO4. | |
Describe the ring structures in building block <BB_2999>. | 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_2999>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2999>. | **Token:** <BB_2999>
**SMILES:** O=C(O)[C@@H]1CC2(CN1)OCCO2
**Molecular Formula:** C7H11NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether |
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