instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2550>. | O=Cc1ccc(OCC(F)F)cc1 | |
What is the building block token for the following molecule? | O=Cc1ccc(OCC(F)F)cc1 | <BB_2550> |
What is the molecular formula for <BB_2550>? | The molecular formula for <BB_2550> (O=Cc1ccc(OCC(F)F)cc1) is C9H8F2O2. | |
Describe the ring structures in building block <BB_2550>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2550>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2550>. | **Token:** <BB_2550>
**SMILES:** O=Cc1ccc(OCC(F)F)cc1
**Molecular Formula:** C9H8F2O2
**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_2551>. | COC(=O)[C@@H]1CNC[C@H]1O.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1CNC[C@H]1O.Cl | <BB_2551> |
What is the molecular formula for <BB_2551>? | The molecular formula for <BB_2551> (COC(=O)[C@@H]1CNC[C@H]1O.Cl) is C6H12ClNO3. | |
Describe the ring structures in building block <BB_2551>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2551>. | The molecule contains the following groups: Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2551>. | **Token:** <BB_2551>
**SMILES:** COC(=O)[C@@H]1CNC[C@H]1O.Cl
**Molecular Formula:** C6H12ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2552>. | COC(=O)c1ccc(F)c(C)n1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(F)c(C)n1 | <BB_2552> |
What is the molecular formula for <BB_2552>? | The molecular formula for <BB_2552> (COC(=O)c1ccc(F)c(C)n1) is C8H8FNO2. | |
Describe the ring structures in building block <BB_2552>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2552>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2552>. | **Token:** <BB_2552>
**SMILES:** COC(=O)c1ccc(F)c(C)n1
**Molecular Formula:** C8H8FNO2
**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_2553>. | OC1CCCC(O)CCC1 | |
What is the building block token for the following molecule? | OC1CCCC(O)CCC1 | <BB_2553> |
What is the molecular formula for <BB_2553>? | The molecular formula for <BB_2553> (OC1CCCC(O)CCC1) is C8H16O2. | |
Describe the ring structures in building block <BB_2553>. | The molecule contains 1 ring(s): an aliphatic ring of size 8. | |
List the primary functional groups present in <BB_2553>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2553>. | **Token:** <BB_2553>
**SMILES:** OC1CCCC(O)CCC1
**Molecular Formula:** C8H16O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 8.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2554>. | O=C1NC2CCCCCCC12 | |
What is the building block token for the following molecule? | O=C1NC2CCCCCCC12 | <BB_2554> |
What is the molecular formula for <BB_2554>? | The molecular formula for <BB_2554> (O=C1NC2CCCCCCC12) is C9H15NO. | |
Describe the ring structures in building block <BB_2554>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 8. | |
List the primary functional groups present in <BB_2554>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2554>. | **Token:** <BB_2554>
**SMILES:** O=C1NC2CCCCCCC12
**Molecular Formula:** C9H15NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 8.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2555>. | CC(C)(C)OC(=O)N1CCCC12CCNC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC12CCNC2 | <BB_2555> |
What is the molecular formula for <BB_2555>? | The molecular formula for <BB_2555> (CC(C)(C)OC(=O)N1CCCC12CCNC2) is C12H22N2O2. | |
Describe the ring structures in building block <BB_2555>. | 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_2555>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2555>. | **Token:** <BB_2555>
**SMILES:** CC(C)(C)OC(=O)N1CCCC12CCNC2
**Molecular Formula:** C12H22N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2556>. | CCCC[C@H](N)CO | |
What is the building block token for the following molecule? | CCCC[C@H](N)CO | <BB_2556> |
What is the molecular formula for <BB_2556>? | The molecular formula for <BB_2556> (CCCC[C@H](N)CO) is C6H15NO. | |
Describe the ring structures in building block <BB_2556>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2556>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2556>. | **Token:** <BB_2556>
**SMILES:** CCCC[C@H](N)CO
**Molecular Formula:** C6H15NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_2557>. | Cc1cc(CCN)cc(C)c1O.Cl | |
What is the building block token for the following molecule? | Cc1cc(CCN)cc(C)c1O.Cl | <BB_2557> |
What is the molecular formula for <BB_2557>? | The molecular formula for <BB_2557> (Cc1cc(CCN)cc(C)c1O.Cl) is C10H16ClNO. | |
Describe the ring structures in building block <BB_2557>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2557>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2557>. | **Token:** <BB_2557>
**SMILES:** Cc1cc(CCN)cc(C)c1O.Cl
**Molecular Formula:** C10H16ClNO
**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_2558>. | Cl.NC12CC(CC1CO)C2 | |
What is the building block token for the following molecule? | Cl.NC12CC(CC1CO)C2 | <BB_2558> |
What is the molecular formula for <BB_2558>? | The molecular formula for <BB_2558> (Cl.NC12CC(CC1CO)C2) is C7H14ClNO. | |
Describe the ring structures in building block <BB_2558>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2558>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2558>. | **Token:** <BB_2558>
**SMILES:** Cl.NC12CC(CC1CO)C2
**Molecular Formula:** C7H14ClNO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2559>. | BrCCCc1ccccc1Br | |
What is the building block token for the following molecule? | BrCCCc1ccccc1Br | <BB_2559> |
What is the molecular formula for <BB_2559>? | The molecular formula for <BB_2559> (BrCCCc1ccccc1Br) is C9H10Br2. | |
Describe the ring structures in building block <BB_2559>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2559>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2559>. | **Token:** <BB_2559>
**SMILES:** BrCCCc1ccccc1Br
**Molecular Formula:** C9H10Br2
**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_2560>. | Cl.NCCc1cc2c(s1)CCC2 | |
What is the building block token for the following molecule? | Cl.NCCc1cc2c(s1)CCC2 | <BB_2560> |
What is the molecular formula for <BB_2560>? | The molecular formula for <BB_2560> (Cl.NCCc1cc2c(s1)CCC2) is C9H14ClNS. | |
Describe the ring structures in building block <BB_2560>. | 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_2560>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2560>. | **Token:** <BB_2560>
**SMILES:** Cl.NCCc1cc2c(s1)CCC2
**Molecular Formula:** C9H14ClNS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2561>. | COCC1(CO)C=CCC1 | |
What is the building block token for the following molecule? | COCC1(CO)C=CCC1 | <BB_2561> |
What is the molecular formula for <BB_2561>? | The molecular formula for <BB_2561> (COCC1(CO)C=CCC1) is C8H14O2. | |
Describe the ring structures in building block <BB_2561>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2561>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2561>. | **Token:** <BB_2561>
**SMILES:** COCC1(CO)C=CCC1
**Molecular Formula:** C8H14O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2562>. | Cl.OC[C@@]12CN[C@@H](CO1)C2 | |
What is the building block token for the following molecule? | Cl.OC[C@@]12CN[C@@H](CO1)C2 | <BB_2562> |
What is the molecular formula for <BB_2562>? | The molecular formula for <BB_2562> (Cl.OC[C@@]12CN[C@@H](CO1)C2) is C6H12ClNO2. | |
Describe the ring structures in building block <BB_2562>. | 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_2562>. | The molecule contains the following groups: Secondary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2562>. | **Token:** <BB_2562>
**SMILES:** Cl.OC[C@@]12CN[C@@H](CO1)C2
**Molecular Formula:** C6H12ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2563>. | Clc1cc(Cl)c(Cl)c(CBr)c1 | |
What is the building block token for the following molecule? | Clc1cc(Cl)c(Cl)c(CBr)c1 | <BB_2563> |
What is the molecular formula for <BB_2563>? | The molecular formula for <BB_2563> (Clc1cc(Cl)c(Cl)c(CBr)c1) is C7H4BrCl3. | |
Describe the ring structures in building block <BB_2563>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2563>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2563>. | **Token:** <BB_2563>
**SMILES:** Clc1cc(Cl)c(Cl)c(CBr)c1
**Molecular Formula:** C7H4BrCl3
**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_2564>. | Cn1c(C=O)ccc1-c1ccccn1 | |
What is the building block token for the following molecule? | Cn1c(C=O)ccc1-c1ccccn1 | <BB_2564> |
What is the molecular formula for <BB_2564>? | The molecular formula for <BB_2564> (Cn1c(C=O)ccc1-c1ccccn1) is C11H10N2O. | |
Describe the ring structures in building block <BB_2564>. | 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_2564>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2564>. | **Token:** <BB_2564>
**SMILES:** Cn1c(C=O)ccc1-c1ccccn1
**Molecular Formula:** C11H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_2565>. | CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1(C)C | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1(C)C | <BB_2565> |
What is the molecular formula for <BB_2565>? | The molecular formula for <BB_2565> (CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1(C)C) is C13H23NO4. | |
Describe the ring structures in building block <BB_2565>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2565>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2565>. | **Token:** <BB_2565>
**SMILES:** CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1(C)C
**Molecular Formula:** C13H23NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2566>. | Cl.Cl.O=C1CCCN1CC1CCCCN1 | |
What is the building block token for the following molecule? | Cl.Cl.O=C1CCCN1CC1CCCCN1 | <BB_2566> |
What is the molecular formula for <BB_2566>? | The molecular formula for <BB_2566> (Cl.Cl.O=C1CCCN1CC1CCCCN1) is C10H20Cl2N2O. | |
Describe the ring structures in building block <BB_2566>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. |
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