instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2733>? | The molecular formula for <BB_2733> (COc1cncc(CCCO)c1) is C9H13NO2. | |
Describe the ring structures in building block <BB_2733>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2733>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2733>. | **Token:** <BB_2733>
**SMILES:** COc1cncc(CCCO)c1
**Molecular Formula:** C9H13NO2
**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_2734>. | Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)O | |
What is the building block token for the following molecule? | Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)O | <BB_2734> |
What is the molecular formula for <BB_2734>? | The molecular formula for <BB_2734> (Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)O) is C10H13F3N2O2. | |
Describe the ring structures in building block <BB_2734>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2734>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2734>. | **Token:** <BB_2734>
**SMILES:** Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)O
**Molecular Formula:** C10H13F3N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2735>. | OC(Cn1ccnc1)c1cccc(Br)c1 | |
What is the building block token for the following molecule? | OC(Cn1ccnc1)c1cccc(Br)c1 | <BB_2735> |
What is the molecular formula for <BB_2735>? | The molecular formula for <BB_2735> (OC(Cn1ccnc1)c1cccc(Br)c1) is C11H11BrN2O. | |
Describe the ring structures in building block <BB_2735>. | 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_2735>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2735>. | **Token:** <BB_2735>
**SMILES:** OC(Cn1ccnc1)c1cccc(Br)c1
**Molecular Formula:** C11H11BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2736>. | Cl.O=C(O)CC1CC2(CCC2)CN1 | |
What is the building block token for the following molecule? | Cl.O=C(O)CC1CC2(CCC2)CN1 | <BB_2736> |
What is the molecular formula for <BB_2736>? | The molecular formula for <BB_2736> (Cl.O=C(O)CC1CC2(CCC2)CN1) is C9H16ClNO2. | |
Describe the ring structures in building block <BB_2736>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2736>. | 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_2736>. | **Token:** <BB_2736>
**SMILES:** Cl.O=C(O)CC1CC2(CCC2)CN1
**Molecular Formula:** C9H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, 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_2737>. | Cc1nc(C)c(C(=O)O)s1 | |
What is the building block token for the following molecule? | Cc1nc(C)c(C(=O)O)s1 | <BB_2737> |
What is the molecular formula for <BB_2737>? | The molecular formula for <BB_2737> (Cc1nc(C)c(C(=O)O)s1) is C6H7NO2S. | |
Describe the ring structures in building block <BB_2737>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2737>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2737>. | **Token:** <BB_2737>
**SMILES:** Cc1nc(C)c(C(=O)O)s1
**Molecular Formula:** C6H7NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2738>. | CCc1cn[nH]c1Cl | |
What is the building block token for the following molecule? | CCc1cn[nH]c1Cl | <BB_2738> |
What is the molecular formula for <BB_2738>? | The molecular formula for <BB_2738> (CCc1cn[nH]c1Cl) is C5H7ClN2. | |
Describe the ring structures in building block <BB_2738>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2738>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2738>. | **Token:** <BB_2738>
**SMILES:** CCc1cn[nH]c1Cl
**Molecular Formula:** C5H7ClN2
**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_2739>. | O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F | |
What is the building block token for the following molecule? | O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F | <BB_2739> |
What is the molecular formula for <BB_2739>? | The molecular formula for <BB_2739> (O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F) is C13H14F3NO2. | |
Describe the ring structures in building block <BB_2739>. | 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_2739>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2739>. | **Token:** <BB_2739>
**SMILES:** O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F
**Molecular Formula:** C13H14F3NO2
**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, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2740>. | COc1cscn1 | |
What is the building block token for the following molecule? | COc1cscn1 | <BB_2740> |
What is the molecular formula for <BB_2740>? | The molecular formula for <BB_2740> (COc1cscn1) is C4H5NOS. | |
Describe the ring structures in building block <BB_2740>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2740>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2740>. | **Token:** <BB_2740>
**SMILES:** COc1cscn1
**Molecular Formula:** C4H5NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2741>. | Cl.Cl.NCc1nnc2ccccn12 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1nnc2ccccn12 | <BB_2741> |
What is the molecular formula for <BB_2741>? | The molecular formula for <BB_2741> (Cl.Cl.NCc1nnc2ccccn12) is C7H10Cl2N4. | |
Describe the ring structures in building block <BB_2741>. | 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_2741>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2741>. | **Token:** <BB_2741>
**SMILES:** Cl.Cl.NCc1nnc2ccccn12
**Molecular Formula:** C7H10Cl2N4
**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_2742>. | O=Cc1ccc(OC(F)(F)C(F)F)cc1 | |
What is the building block token for the following molecule? | O=Cc1ccc(OC(F)(F)C(F)F)cc1 | <BB_2742> |
What is the molecular formula for <BB_2742>? | The molecular formula for <BB_2742> (O=Cc1ccc(OC(F)(F)C(F)F)cc1) is C9H6F4O2. | |
Describe the ring structures in building block <BB_2742>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2742>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2742>. | **Token:** <BB_2742>
**SMILES:** O=Cc1ccc(OC(F)(F)C(F)F)cc1
**Molecular Formula:** C9H6F4O2
**Ring System:** The molecule contains 1 ring(s): 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_2743>. | CC(C)(CO)C(C)(C)CC(=O)[O-].[K+] | |
What is the building block token for the following molecule? | CC(C)(CO)C(C)(C)CC(=O)[O-].[K+] | <BB_2743> |
What is the molecular formula for <BB_2743>? | The molecular formula for <BB_2743> (CC(C)(CO)C(C)(C)CC(=O)[O-].[K+]) is C9H17KO3. | |
Describe the ring structures in building block <BB_2743>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2743>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2743>. | **Token:** <BB_2743>
**SMILES:** CC(C)(CO)C(C)(C)CC(=O)[O-].[K+]
**Molecular Formula:** C9H17KO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2744>. | O=S(=O)(Cl)NCc1ccc(Br)cc1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)NCc1ccc(Br)cc1 | <BB_2744> |
What is the molecular formula for <BB_2744>? | The molecular formula for <BB_2744> (O=S(=O)(Cl)NCc1ccc(Br)cc1) is C7H7BrClNO2S. | |
Describe the ring structures in building block <BB_2744>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2744>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2744>. | **Token:** <BB_2744>
**SMILES:** O=S(=O)(Cl)NCc1ccc(Br)cc1
**Molecular Formula:** C7H7BrClNO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2745>. | CN(C)C(C)(C)CS.Cl | |
What is the building block token for the following molecule? | CN(C)C(C)(C)CS.Cl | <BB_2745> |
What is the molecular formula for <BB_2745>? | The molecular formula for <BB_2745> (CN(C)C(C)(C)CS.Cl) is C6H16ClNS. | |
Describe the ring structures in building block <BB_2745>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2745>. | The molecule contains the following groups: Tertiary Amine, Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2745>. | **Token:** <BB_2745>
**SMILES:** CN(C)C(C)(C)CS.Cl
**Molecular Formula:** C6H16ClNS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2746>. | COCC(CN)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | COCC(CN)c1ccc(Cl)cc1 | <BB_2746> |
What is the molecular formula for <BB_2746>? | The molecular formula for <BB_2746> (COCC(CN)c1ccc(Cl)cc1) is C10H14ClNO. | |
Describe the ring structures in building block <BB_2746>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2746>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2746>. | **Token:** <BB_2746>
**SMILES:** COCC(CN)c1ccc(Cl)cc1
**Molecular Formula:** C10H14ClNO
**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_2747>. | Cl.Cl.Clc1nnnc2[nH]cnc12 | |
What is the building block token for the following molecule? | Cl.Cl.Clc1nnnc2[nH]cnc12 | <BB_2747> |
What is the molecular formula for <BB_2747>? | The molecular formula for <BB_2747> (Cl.Cl.Clc1nnnc2[nH]cnc12) is C4H4Cl3N5. | |
Describe the ring structures in building block <BB_2747>. | 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_2747>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2747>. | **Token:** <BB_2747>
**SMILES:** Cl.Cl.Clc1nnnc2[nH]cnc12
**Molecular Formula:** C4H4Cl3N5
**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_2748>. | Cl.Cl.NNC(=O)C1(N)CC1 | |
What is the building block token for the following molecule? | Cl.Cl.NNC(=O)C1(N)CC1 | <BB_2748> |
What is the molecular formula for <BB_2748>? | The molecular formula for <BB_2748> (Cl.Cl.NNC(=O)C1(N)CC1) is C4H11Cl2N3O. | |
Describe the ring structures in building block <BB_2748>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2748>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2748>. | **Token:** <BB_2748>
**SMILES:** Cl.Cl.NNC(=O)C1(N)CC1
**Molecular Formula:** C4H11Cl2N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2749>. | O=C(O)[C@H]1C[C@H]1C(F)F | |
What is the building block token for the following molecule? | O=C(O)[C@H]1C[C@H]1C(F)F | <BB_2749> |
What is the molecular formula for <BB_2749>? | The molecular formula for <BB_2749> (O=C(O)[C@H]1C[C@H]1C(F)F) is C5H6F2O2. | |
Describe the ring structures in building block <BB_2749>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2749>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2749>. | **Token:** <BB_2749>
**SMILES:** O=C(O)[C@H]1C[C@H]1C(F)F
**Molecular Formula:** C5H6F2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) |
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