instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9233>? | The molecular formula for <BB_9233> (Cc1ncc(Br)c(C#N)n1) is C6H4BrN3. | |
Describe the ring structures in building block <BB_9233>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9233>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9233>. | **Token:** <BB_9233>
**SMILES:** Cc1ncc(Br)c(C#N)n1
**Molecular Formula:** C6H4BrN3
**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_9234>. | OCC1(CBr)CC(F)(F)C1 | |
What is the building block token for the following molecule? | OCC1(CBr)CC(F)(F)C1 | <BB_9234> |
What is the molecular formula for <BB_9234>? | The molecular formula for <BB_9234> (OCC1(CBr)CC(F)(F)C1) is C6H9BrF2O. | |
Describe the ring structures in building block <BB_9234>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9234>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9234>. | **Token:** <BB_9234>
**SMILES:** OCC1(CBr)CC(F)(F)C1
**Molecular Formula:** C6H9BrF2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9235>. | CC(CO)CC1CCOCC1 | |
What is the building block token for the following molecule? | CC(CO)CC1CCOCC1 | <BB_9235> |
What is the molecular formula for <BB_9235>? | The molecular formula for <BB_9235> (CC(CO)CC1CCOCC1) is C9H18O2. | |
Describe the ring structures in building block <BB_9235>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9235>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9235>. | **Token:** <BB_9235>
**SMILES:** CC(CO)CC1CCOCC1
**Molecular Formula:** C9H18O2
**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_9236>. | COc1ccc(C(=O)Cc2ccccc2F)c(Br)c1 | |
What is the building block token for the following molecule? | COc1ccc(C(=O)Cc2ccccc2F)c(Br)c1 | <BB_9236> |
What is the molecular formula for <BB_9236>? | The molecular formula for <BB_9236> (COc1ccc(C(=O)Cc2ccccc2F)c(Br)c1) is C15H12BrFO2. | |
Describe the ring structures in building block <BB_9236>. | 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_9236>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9236>. | **Token:** <BB_9236>
**SMILES:** COc1ccc(C(=O)Cc2ccccc2F)c(Br)c1
**Molecular Formula:** C15H12BrFO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9237>. | Nc1cc(F)c(C(=O)O)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Nc1cc(F)c(C(=O)O)cc1[N+](=O)[O-] | <BB_9237> |
What is the molecular formula for <BB_9237>? | The molecular formula for <BB_9237> (Nc1cc(F)c(C(=O)O)cc1[N+](=O)[O-]) is C7H5FN2O4. | |
Describe the ring structures in building block <BB_9237>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9237>. | The molecule contains the following groups: Carboxylic Acid, Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9237>. | **Token:** <BB_9237>
**SMILES:** Nc1cc(F)c(C(=O)O)cc1[N+](=O)[O-]
**Molecular Formula:** C7H5FN2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9238>. | ClCCc1cscn1 | |
What is the building block token for the following molecule? | ClCCc1cscn1 | <BB_9238> |
What is the molecular formula for <BB_9238>? | The molecular formula for <BB_9238> (ClCCc1cscn1) is C5H6ClNS. | |
Describe the ring structures in building block <BB_9238>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9238>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9238>. | **Token:** <BB_9238>
**SMILES:** ClCCc1cscn1
**Molecular Formula:** C5H6ClNS
**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_9239>. | CNCC1CCOCC1.Cl | |
What is the building block token for the following molecule? | CNCC1CCOCC1.Cl | <BB_9239> |
What is the molecular formula for <BB_9239>? | The molecular formula for <BB_9239> (CNCC1CCOCC1.Cl) is C7H16ClNO. | |
Describe the ring structures in building block <BB_9239>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9239>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9239>. | **Token:** <BB_9239>
**SMILES:** CNCC1CCOCC1.Cl
**Molecular Formula:** C7H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9240>. | C[C@]1(C(=O)O)C[C@H](C#N)C1 | |
What is the building block token for the following molecule? | C[C@]1(C(=O)O)C[C@H](C#N)C1 | <BB_9240> |
What is the molecular formula for <BB_9240>? | The molecular formula for <BB_9240> (C[C@]1(C(=O)O)C[C@H](C#N)C1) is C7H9NO2. | |
Describe the ring structures in building block <BB_9240>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9240>. | The molecule contains the following groups: Carboxylic Acid, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9240>. | **Token:** <BB_9240>
**SMILES:** C[C@]1(C(=O)O)C[C@H](C#N)C1
**Molecular Formula:** C7H9NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Nitrile | |
Provide the SMILES representation for the building block token <BB_9241>. | Cc1c(Br)ncc(Br)c1N | |
What is the building block token for the following molecule? | Cc1c(Br)ncc(Br)c1N | <BB_9241> |
What is the molecular formula for <BB_9241>? | The molecular formula for <BB_9241> (Cc1c(Br)ncc(Br)c1N) is C6H6Br2N2. | |
Describe the ring structures in building block <BB_9241>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9241>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9241>. | **Token:** <BB_9241>
**SMILES:** Cc1c(Br)ncc(Br)c1N
**Molecular Formula:** C6H6Br2N2
**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_9242>. | Fc1ccc(Nc2ccc(F)cc2)cc1 | |
What is the building block token for the following molecule? | Fc1ccc(Nc2ccc(F)cc2)cc1 | <BB_9242> |
What is the molecular formula for <BB_9242>? | The molecular formula for <BB_9242> (Fc1ccc(Nc2ccc(F)cc2)cc1) is C12H9F2N. | |
Describe the ring structures in building block <BB_9242>. | 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_9242>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9242>. | **Token:** <BB_9242>
**SMILES:** Fc1ccc(Nc2ccc(F)cc2)cc1
**Molecular Formula:** C12H9F2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9243>. | Cc1ccc(S(=O)(=O)Cl)cc1I | |
What is the building block token for the following molecule? | Cc1ccc(S(=O)(=O)Cl)cc1I | <BB_9243> |
What is the molecular formula for <BB_9243>? | The molecular formula for <BB_9243> (Cc1ccc(S(=O)(=O)Cl)cc1I) is C7H6ClIO2S. | |
Describe the ring structures in building block <BB_9243>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9243>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9243>. | **Token:** <BB_9243>
**SMILES:** Cc1ccc(S(=O)(=O)Cl)cc1I
**Molecular Formula:** C7H6ClIO2S
**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_9244>. | OC1CCc2ccccc2NC1 | |
What is the building block token for the following molecule? | OC1CCc2ccccc2NC1 | <BB_9244> |
What is the molecular formula for <BB_9244>? | The molecular formula for <BB_9244> (OC1CCc2ccccc2NC1) is C10H13NO. | |
Describe the ring structures in building block <BB_9244>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9244>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9244>. | **Token:** <BB_9244>
**SMILES:** OC1CCc2ccccc2NC1
**Molecular Formula:** C10H13NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9245>. | Brc1cccc(I)c1 | |
What is the building block token for the following molecule? | Brc1cccc(I)c1 | <BB_9245> |
What is the molecular formula for <BB_9245>? | The molecular formula for <BB_9245> (Brc1cccc(I)c1) is C6H4BrI. | |
Describe the ring structures in building block <BB_9245>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9245>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9245>. | **Token:** <BB_9245>
**SMILES:** Brc1cccc(I)c1
**Molecular Formula:** C6H4BrI
**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_9246>. | C[C@H]1O[C@H]1C(=O)[O-].[K+] | |
What is the building block token for the following molecule? | C[C@H]1O[C@H]1C(=O)[O-].[K+] | <BB_9246> |
What is the molecular formula for <BB_9246>? | The molecular formula for <BB_9246> (C[C@H]1O[C@H]1C(=O)[O-].[K+]) is C4H5KO3. | |
Describe the ring structures in building block <BB_9246>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9246>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9246>. | **Token:** <BB_9246>
**SMILES:** C[C@H]1O[C@H]1C(=O)[O-].[K+]
**Molecular Formula:** C4H5KO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9247>. | CC(C)Oc1ccc(C(C)N)cc1.Cl | |
What is the building block token for the following molecule? | CC(C)Oc1ccc(C(C)N)cc1.Cl | <BB_9247> |
What is the molecular formula for <BB_9247>? | The molecular formula for <BB_9247> (CC(C)Oc1ccc(C(C)N)cc1.Cl) is C11H18ClNO. | |
Describe the ring structures in building block <BB_9247>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9247>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9247>. | **Token:** <BB_9247>
**SMILES:** CC(C)Oc1ccc(C(C)N)cc1.Cl
**Molecular Formula:** C11H18ClNO
**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_9248>. | Nc1ccc(OC(F)F)c(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | Nc1ccc(OC(F)F)c(C(F)(F)F)c1 | <BB_9248> |
What is the molecular formula for <BB_9248>? | The molecular formula for <BB_9248> (Nc1ccc(OC(F)F)c(C(F)(F)F)c1) is C8H6F5NO. | |
Describe the ring structures in building block <BB_9248>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9248>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9248>. | **Token:** <BB_9248>
**SMILES:** Nc1ccc(OC(F)F)c(C(F)(F)F)c1
**Molecular Formula:** C8H6F5NO
**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_9249>. | CC(C)(C)OC(=O)CN1CCCCC(N)C1=O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)CN1CCCCC(N)C1=O | <BB_9249> |
What is the molecular formula for <BB_9249>? | The molecular formula for <BB_9249> (CC(C)(C)OC(=O)CN1CCCCC(N)C1=O) is C12H22N2O3. | |
Describe the ring structures in building block <BB_9249>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_9249>. | The molecule contains the following groups: Amine, Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9249>. | **Token:** <BB_9249>
**SMILES:** CC(C)(C)OC(=O)CN1CCCCC(N)C1=O
**Molecular Formula:** C12H22N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Amine, Amide, Ester, Ether |
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