instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9316>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9316>. | **Token:** <BB_9316>
**SMILES:** Cl.N[C@H]1C[C@H]2CCCCCC[C@H]21
**Molecular Formula:** C10H20ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 8.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9317>. | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O | |
What is the building block token for the following molecule? | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O | <BB_9317> |
What is the molecular formula for <BB_9317>? | The molecular formula for <BB_9317> (CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O) is C9H16N2O2. | |
Describe the ring structures in building block <BB_9317>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9317>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9317>. | **Token:** <BB_9317>
**SMILES:** CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC1=O
**Molecular Formula:** C9H16N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9318>. | Cc1cccc(NC(=O)CCl)c1C | |
What is the building block token for the following molecule? | Cc1cccc(NC(=O)CCl)c1C | <BB_9318> |
What is the molecular formula for <BB_9318>? | The molecular formula for <BB_9318> (Cc1cccc(NC(=O)CCl)c1C) is C10H12ClNO. | |
Describe the ring structures in building block <BB_9318>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9318>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9318>. | **Token:** <BB_9318>
**SMILES:** Cc1cccc(NC(=O)CCl)c1C
**Molecular Formula:** C10H12ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9319>. | C/C=C1/CCC(CO)C1 | |
What is the building block token for the following molecule? | C/C=C1/CCC(CO)C1 | <BB_9319> |
What is the molecular formula for <BB_9319>? | The molecular formula for <BB_9319> (C/C=C1/CCC(CO)C1) is C8H14O. | |
Describe the ring structures in building block <BB_9319>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9319>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9319>. | **Token:** <BB_9319>
**SMILES:** C/C=C1/CCC(CO)C1
**Molecular Formula:** C8H14O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9320>. | Cn1nnnc1N | |
What is the building block token for the following molecule? | Cn1nnnc1N | <BB_9320> |
What is the molecular formula for <BB_9320>? | The molecular formula for <BB_9320> (Cn1nnnc1N) is C2H5N5. | |
Describe the ring structures in building block <BB_9320>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9320>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9320>. | **Token:** <BB_9320>
**SMILES:** Cn1nnnc1N
**Molecular Formula:** C2H5N5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9321>. | CC1(C)OB(c2ccc(N)c(N)c2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2ccc(N)c(N)c2)OC1(C)C | <BB_9321> |
What is the molecular formula for <BB_9321>? | The molecular formula for <BB_9321> (CC1(C)OB(c2ccc(N)c(N)c2)OC1(C)C) is C12H19BN2O2. | |
Describe the ring structures in building block <BB_9321>. | 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_9321>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9321>. | **Token:** <BB_9321>
**SMILES:** CC1(C)OB(c2ccc(N)c(N)c2)OC1(C)C
**Molecular Formula:** C12H19BN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9322>. | N#CCc1ccc(B(O)O)cc1 | |
What is the building block token for the following molecule? | N#CCc1ccc(B(O)O)cc1 | <BB_9322> |
What is the molecular formula for <BB_9322>? | The molecular formula for <BB_9322> (N#CCc1ccc(B(O)O)cc1) is C8H8BNO2. | |
Describe the ring structures in building block <BB_9322>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9322>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9322>. | **Token:** <BB_9322>
**SMILES:** N#CCc1ccc(B(O)O)cc1
**Molecular Formula:** C8H8BNO2
**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_9323>. | NC(=O)c1nn(CCO)c2ccccc12 | |
What is the building block token for the following molecule? | NC(=O)c1nn(CCO)c2ccccc12 | <BB_9323> |
What is the molecular formula for <BB_9323>? | The molecular formula for <BB_9323> (NC(=O)c1nn(CCO)c2ccccc12) is C10H11N3O2. | |
Describe the ring structures in building block <BB_9323>. | 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_9323>. | The molecule contains the following groups: Amide, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9323>. | **Token:** <BB_9323>
**SMILES:** NC(=O)c1nn(CCO)c2ccccc12
**Molecular Formula:** C10H11N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Alcohol | |
Provide the SMILES representation for the building block token <BB_9324>. | C=CN1CCNC1=O | |
What is the building block token for the following molecule? | C=CN1CCNC1=O | <BB_9324> |
What is the molecular formula for <BB_9324>? | The molecular formula for <BB_9324> (C=CN1CCNC1=O) is C5H8N2O. | |
Describe the ring structures in building block <BB_9324>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9324>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9324>. | **Token:** <BB_9324>
**SMILES:** C=CN1CCNC1=O
**Molecular Formula:** C5H8N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9325>. | Nc1ccc(-n2cnc3ccccc32)nc1 | |
What is the building block token for the following molecule? | Nc1ccc(-n2cnc3ccccc32)nc1 | <BB_9325> |
What is the molecular formula for <BB_9325>? | The molecular formula for <BB_9325> (Nc1ccc(-n2cnc3ccccc32)nc1) is C12H10N4. | |
Describe the ring structures in building block <BB_9325>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9325>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9325>. | **Token:** <BB_9325>
**SMILES:** Nc1ccc(-n2cnc3ccccc32)nc1
**Molecular Formula:** C12H10N4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9326>. | CC1(C(=O)O)Cc2cccc(Br)c21 | |
What is the building block token for the following molecule? | CC1(C(=O)O)Cc2cccc(Br)c21 | <BB_9326> |
What is the molecular formula for <BB_9326>? | The molecular formula for <BB_9326> (CC1(C(=O)O)Cc2cccc(Br)c21) is C10H9BrO2. | |
Describe the ring structures in building block <BB_9326>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9326>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9326>. | **Token:** <BB_9326>
**SMILES:** CC1(C(=O)O)Cc2cccc(Br)c21
**Molecular Formula:** C10H9BrO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9327>. | CC(C)(CN)c1cccc(C2CC2)c1.Cl | |
What is the building block token for the following molecule? | CC(C)(CN)c1cccc(C2CC2)c1.Cl | <BB_9327> |
What is the molecular formula for <BB_9327>? | The molecular formula for <BB_9327> (CC(C)(CN)c1cccc(C2CC2)c1.Cl) is C13H20ClN. | |
Describe the ring structures in building block <BB_9327>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9327>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9327>. | **Token:** <BB_9327>
**SMILES:** CC(C)(CN)c1cccc(C2CC2)c1.Cl
**Molecular Formula:** C13H20ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9328>. | CC(CN)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | CC(CN)c1ccc(F)cc1 | <BB_9328> |
What is the molecular formula for <BB_9328>? | The molecular formula for <BB_9328> (CC(CN)c1ccc(F)cc1) is C9H12FN. | |
Describe the ring structures in building block <BB_9328>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9328>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9328>. | **Token:** <BB_9328>
**SMILES:** CC(CN)c1ccc(F)cc1
**Molecular Formula:** C9H12FN
**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_9329>. | CCOP(=O)(CC(C)=CC(=O)OC)OCC | |
What is the building block token for the following molecule? | CCOP(=O)(CC(C)=CC(=O)OC)OCC | <BB_9329> |
What is the molecular formula for <BB_9329>? | The molecular formula for <BB_9329> (CCOP(=O)(CC(C)=CC(=O)OC)OCC) is C10H19O5P. | |
Describe the ring structures in building block <BB_9329>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9329>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9329>. | **Token:** <BB_9329>
**SMILES:** CCOP(=O)(CC(C)=CC(=O)OC)OCC
**Molecular Formula:** C10H19O5P
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9330>. | COC(=O)[C@@]12CCCC[C@@H]1[C@H]2Br | |
What is the building block token for the following molecule? | COC(=O)[C@@]12CCCC[C@@H]1[C@H]2Br | <BB_9330> |
What is the molecular formula for <BB_9330>? | The molecular formula for <BB_9330> (COC(=O)[C@@]12CCCC[C@@H]1[C@H]2Br) is C9H13BrO2. | |
Describe the ring structures in building block <BB_9330>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9330>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9330>. | **Token:** <BB_9330>
**SMILES:** COC(=O)[C@@]12CCCC[C@@H]1[C@H]2Br
**Molecular Formula:** C9H13BrO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9331>. | O=C1OC2CCCC2C2COCCN12 | |
What is the building block token for the following molecule? | O=C1OC2CCCC2C2COCCN12 | <BB_9331> |
What is the molecular formula for <BB_9331>? | The molecular formula for <BB_9331> (O=C1OC2CCCC2C2COCCN12) is C10H15NO3. | |
Describe the ring structures in building block <BB_9331>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9331>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9331>. | **Token:** <BB_9331>
**SMILES:** O=C1OC2CCCC2C2COCCN12
**Molecular Formula:** C10H15NO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9332>. | Cc1cc(N)nn1Cc1cccc(C(=O)O)c1.Cl | |
What is the building block token for the following molecule? | Cc1cc(N)nn1Cc1cccc(C(=O)O)c1.Cl | <BB_9332> |
What is the molecular formula for <BB_9332>? | The molecular formula for <BB_9332> (Cc1cc(N)nn1Cc1cccc(C(=O)O)c1.Cl) is C12H14ClN3O2. | |
Describe the ring structures in building block <BB_9332>. | 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_9332>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9332>. | **Token:** <BB_9332>
**SMILES:** Cc1cc(N)nn1Cc1cccc(C(=O)O)c1.Cl
**Molecular Formula:** C12H14ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9333>. | O=C(O)c1cc(Br)cc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(Br)cc(C(F)(F)F)c1 | <BB_9333> |
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