instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_2816>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2816>. | **Token:** <BB_2816>
**SMILES:** O=Cc1nc(C2CC2)no1
**Molecular Formula:** C6H6N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_2817>. | CC(C)CCC(=O)CCN(C)C | |
What is the building block token for the following molecule? | CC(C)CCC(=O)CCN(C)C | <BB_2817> |
What is the molecular formula for <BB_2817>? | The molecular formula for <BB_2817> (CC(C)CCC(=O)CCN(C)C) is C10H21NO. | |
Describe the ring structures in building block <BB_2817>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2817>. | The molecule contains the following groups: Tertiary Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2817>. | **Token:** <BB_2817>
**SMILES:** CC(C)CCC(=O)CCN(C)C
**Molecular Formula:** C10H21NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_2818>. | NCC1CCCS1(=O)=O | |
What is the building block token for the following molecule? | NCC1CCCS1(=O)=O | <BB_2818> |
What is the molecular formula for <BB_2818>? | The molecular formula for <BB_2818> (NCC1CCCS1(=O)=O) is C5H11NO2S. | |
Describe the ring structures in building block <BB_2818>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2818>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2818>. | **Token:** <BB_2818>
**SMILES:** NCC1CCCS1(=O)=O
**Molecular Formula:** C5H11NO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2819>. | Cc1nn(CCCO)c(C)c1Cl | |
What is the building block token for the following molecule? | Cc1nn(CCCO)c(C)c1Cl | <BB_2819> |
What is the molecular formula for <BB_2819>? | The molecular formula for <BB_2819> (Cc1nn(CCCO)c(C)c1Cl) is C8H13ClN2O. | |
Describe the ring structures in building block <BB_2819>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2819>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2819>. | **Token:** <BB_2819>
**SMILES:** Cc1nn(CCCO)c(C)c1Cl
**Molecular Formula:** C8H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2820>. | CCCc1cc(CCl)on1 | |
What is the building block token for the following molecule? | CCCc1cc(CCl)on1 | <BB_2820> |
What is the molecular formula for <BB_2820>? | The molecular formula for <BB_2820> (CCCc1cc(CCl)on1) is C7H10ClNO. | |
Describe the ring structures in building block <BB_2820>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2820>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2820>. | **Token:** <BB_2820>
**SMILES:** CCCc1cc(CCl)on1
**Molecular Formula:** C7H10ClNO
**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_2821>. | CC(C)(C)OC(=O)N1CCC(C23CC(C=O)(C2)C3)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(C23CC(C=O)(C2)C3)C1 | <BB_2821> |
What is the molecular formula for <BB_2821>? | The molecular formula for <BB_2821> (CC(C)(C)OC(=O)N1CCC(C23CC(C=O)(C2)C3)C1) is C15H23NO3. | |
Describe the ring structures in building block <BB_2821>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2821>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2821>. | **Token:** <BB_2821>
**SMILES:** CC(C)(C)OC(=O)N1CCC(C23CC(C=O)(C2)C3)C1
**Molecular Formula:** C15H23NO3
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2822>. | CCCCCOc1ccc(C=O)cc1 | |
What is the building block token for the following molecule? | CCCCCOc1ccc(C=O)cc1 | <BB_2822> |
What is the molecular formula for <BB_2822>? | The molecular formula for <BB_2822> (CCCCCOc1ccc(C=O)cc1) is C12H16O2. | |
Describe the ring structures in building block <BB_2822>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2822>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2822>. | **Token:** <BB_2822>
**SMILES:** CCCCCOc1ccc(C=O)cc1
**Molecular Formula:** C12H16O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2823>. | Cl.NCc1nnc(S)n1C1CC1 | |
What is the building block token for the following molecule? | Cl.NCc1nnc(S)n1C1CC1 | <BB_2823> |
What is the molecular formula for <BB_2823>? | The molecular formula for <BB_2823> (Cl.NCc1nnc(S)n1C1CC1) is C6H11ClN4S. | |
Describe the ring structures in building block <BB_2823>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2823>. | The molecule contains the following groups: Amine, Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2823>. | **Token:** <BB_2823>
**SMILES:** Cl.NCc1nnc(S)n1C1CC1
**Molecular Formula:** C6H11ClN4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2824>. | OC1CC2(CCOC2)C1 | |
What is the building block token for the following molecule? | OC1CC2(CCOC2)C1 | <BB_2824> |
What is the molecular formula for <BB_2824>? | The molecular formula for <BB_2824> (OC1CC2(CCOC2)C1) is C7H12O2. | |
Describe the ring structures in building block <BB_2824>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2824>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2824>. | **Token:** <BB_2824>
**SMILES:** OC1CC2(CCOC2)C1
**Molecular Formula:** C7H12O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2825>. | COC(=O)c1ccc([N+](=O)[O-])c(CBr)c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc([N+](=O)[O-])c(CBr)c1 | <BB_2825> |
What is the molecular formula for <BB_2825>? | The molecular formula for <BB_2825> (COC(=O)c1ccc([N+](=O)[O-])c(CBr)c1) is C9H8BrNO4. | |
Describe the ring structures in building block <BB_2825>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2825>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2825>. | **Token:** <BB_2825>
**SMILES:** COC(=O)c1ccc([N+](=O)[O-])c(CBr)c1
**Molecular Formula:** C9H8BrNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2826>. | COC(=O)NCC1CCCNC1.Cl | |
What is the building block token for the following molecule? | COC(=O)NCC1CCCNC1.Cl | <BB_2826> |
What is the molecular formula for <BB_2826>? | The molecular formula for <BB_2826> (COC(=O)NCC1CCCNC1.Cl) is C8H17ClN2O2. | |
Describe the ring structures in building block <BB_2826>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2826>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2826>. | **Token:** <BB_2826>
**SMILES:** COC(=O)NCC1CCCNC1.Cl
**Molecular Formula:** C8H17ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2827>. | Cc1cc(C)c(I)c(CO)c1 | |
What is the building block token for the following molecule? | Cc1cc(C)c(I)c(CO)c1 | <BB_2827> |
What is the molecular formula for <BB_2827>? | The molecular formula for <BB_2827> (Cc1cc(C)c(I)c(CO)c1) is C9H11IO. | |
Describe the ring structures in building block <BB_2827>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2827>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2827>. | **Token:** <BB_2827>
**SMILES:** Cc1cc(C)c(I)c(CO)c1
**Molecular Formula:** C9H11IO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2828>. | CC(C)(C)OC(=O)N1CCC(CO)C12CCC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(CO)C12CCC2 | <BB_2828> |
What is the molecular formula for <BB_2828>? | The molecular formula for <BB_2828> (CC(C)(C)OC(=O)N1CCC(CO)C12CCC2) is C13H23NO3. | |
Describe the ring structures in building block <BB_2828>. | 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_2828>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2828>. | **Token:** <BB_2828>
**SMILES:** CC(C)(C)OC(=O)N1CCC(CO)C12CCC2
**Molecular Formula:** C13H23NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2829>. | Cl.O=C(O)C1CSCC(C(=O)O)N1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1CSCC(C(=O)O)N1 | <BB_2829> |
What is the molecular formula for <BB_2829>? | The molecular formula for <BB_2829> (Cl.O=C(O)C1CSCC(C(=O)O)N1) is C6H10ClNO4S. | |
Describe the ring structures in building block <BB_2829>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2829>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2829>. | **Token:** <BB_2829>
**SMILES:** Cl.O=C(O)C1CSCC(C(=O)O)N1
**Molecular Formula:** C6H10ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2830>. | O=S(=O)(Cl)c1[nH]nc2c1CCC2 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1[nH]nc2c1CCC2 | <BB_2830> |
What is the molecular formula for <BB_2830>? | The molecular formula for <BB_2830> (O=S(=O)(Cl)c1[nH]nc2c1CCC2) is C6H7ClN2O2S. | |
Describe the ring structures in building block <BB_2830>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2830>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2830>. | **Token:** <BB_2830>
**SMILES:** O=S(=O)(Cl)c1[nH]nc2c1CCC2
**Molecular Formula:** C6H7ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2831>. | Cl.Fc1cccc(F)c1C1CCCN1 | |
What is the building block token for the following molecule? | Cl.Fc1cccc(F)c1C1CCCN1 | <BB_2831> |
What is the molecular formula for <BB_2831>? | The molecular formula for <BB_2831> (Cl.Fc1cccc(F)c1C1CCCN1) is C10H12ClF2N. | |
Describe the ring structures in building block <BB_2831>. | 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_2831>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2831>. | **Token:** <BB_2831>
**SMILES:** Cl.Fc1cccc(F)c1C1CCCN1
**Molecular Formula:** C10H12ClF2N
**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_2832>. | CNC(=O)[C@H]1CC[C@@H](c2ccccc2)N1.Cl | |
What is the building block token for the following molecule? | CNC(=O)[C@H]1CC[C@@H](c2ccccc2)N1.Cl | <BB_2832> |
What is the molecular formula for <BB_2832>? | The molecular formula for <BB_2832> (CNC(=O)[C@H]1CC[C@@H](c2ccccc2)N1.Cl) is C12H17ClN2O. | |
Describe the ring structures in building block <BB_2832>. | 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_2832>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2832>. | **Token:** <BB_2832>
**SMILES:** CNC(=O)[C@H]1CC[C@@H](c2ccccc2)N1.Cl
**Molecular Formula:** C12H17ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2833>. | C[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C.Cl | |
What is the building block token for the following molecule? | C[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C.Cl | <BB_2833> |
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