instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_3150>. | CCOC(=O)c1[nH]c(C)c(C)c1Br | |
What is the building block token for the following molecule? | CCOC(=O)c1[nH]c(C)c(C)c1Br | <BB_3150> |
What is the molecular formula for <BB_3150>? | The molecular formula for <BB_3150> (CCOC(=O)c1[nH]c(C)c(C)c1Br) is C9H12BrNO2. | |
Describe the ring structures in building block <BB_3150>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3150>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3150>. | **Token:** <BB_3150>
**SMILES:** CCOC(=O)c1[nH]c(C)c(C)c1Br
**Molecular Formula:** C9H12BrNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3151>. | COC(=O)c1cncc(C(=O)O)c1 | |
What is the building block token for the following molecule? | COC(=O)c1cncc(C(=O)O)c1 | <BB_3151> |
What is the molecular formula for <BB_3151>? | The molecular formula for <BB_3151> (COC(=O)c1cncc(C(=O)O)c1) is C8H7NO4. | |
Describe the ring structures in building block <BB_3151>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3151>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3151>. | **Token:** <BB_3151>
**SMILES:** COC(=O)c1cncc(C(=O)O)c1
**Molecular Formula:** C8H7NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3152>. | O=Cc1ccc(SCc2ccccc2Cl)cc1 | |
What is the building block token for the following molecule? | O=Cc1ccc(SCc2ccccc2Cl)cc1 | <BB_3152> |
What is the molecular formula for <BB_3152>? | The molecular formula for <BB_3152> (O=Cc1ccc(SCc2ccccc2Cl)cc1) is C14H11ClOS. | |
Describe the ring structures in building block <BB_3152>. | 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_3152>. | The molecule contains the following groups: Aldehyde, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3152>. | **Token:** <BB_3152>
**SMILES:** O=Cc1ccc(SCc2ccccc2Cl)cc1
**Molecular Formula:** C14H11ClOS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3153>. | CC1(C)OB(C2C3CCCC32)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(C2C3CCCC32)OC1(C)C | <BB_3153> |
What is the molecular formula for <BB_3153>? | The molecular formula for <BB_3153> (CC1(C)OB(C2C3CCCC32)OC1(C)C) is C12H21BO2. | |
Describe the ring structures in building block <BB_3153>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3153>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3153>. | **Token:** <BB_3153>
**SMILES:** CC1(C)OB(C2C3CCCC32)OC1(C)C
**Molecular Formula:** C12H21BO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3154>. | COCCNC(=O)N(C)C(C)CCSC | |
What is the building block token for the following molecule? | COCCNC(=O)N(C)C(C)CCSC | <BB_3154> |
What is the molecular formula for <BB_3154>? | The molecular formula for <BB_3154> (COCCNC(=O)N(C)C(C)CCSC) is C10H22N2O2S. | |
Describe the ring structures in building block <BB_3154>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3154>. | The molecule contains the following groups: Amide, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_3154>. | **Token:** <BB_3154>
**SMILES:** COCCNC(=O)N(C)C(C)CCSC
**Molecular Formula:** C10H22N2O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_3155>. | CNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | CNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | <BB_3155> |
What is the molecular formula for <BB_3155>? | The molecular formula for <BB_3155> (CNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1) is C14H13Cl2N. | |
Describe the ring structures in building block <BB_3155>. | 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_3155>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3155>. | **Token:** <BB_3155>
**SMILES:** CNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
**Molecular Formula:** C14H13Cl2N
**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_3156>. | O=S(=O)(F)c1ccc2[nH]ccc2c1 | |
What is the building block token for the following molecule? | O=S(=O)(F)c1ccc2[nH]ccc2c1 | <BB_3156> |
What is the molecular formula for <BB_3156>? | The molecular formula for <BB_3156> (O=S(=O)(F)c1ccc2[nH]ccc2c1) is C8H6FNO2S. | |
Describe the ring structures in building block <BB_3156>. | 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_3156>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3156>. | **Token:** <BB_3156>
**SMILES:** O=S(=O)(F)c1ccc2[nH]ccc2c1
**Molecular Formula:** C8H6FNO2S
**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_3157>. | C=CCc1ccc(OC)cc1 | |
What is the building block token for the following molecule? | C=CCc1ccc(OC)cc1 | <BB_3157> |
What is the molecular formula for <BB_3157>? | The molecular formula for <BB_3157> (C=CCc1ccc(OC)cc1) is C10H12O. | |
Describe the ring structures in building block <BB_3157>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3157>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3157>. | **Token:** <BB_3157>
**SMILES:** C=CCc1ccc(OC)cc1
**Molecular Formula:** C10H12O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_3158>. | CNc1cc(F)cc(Cl)c1.Cl | |
What is the building block token for the following molecule? | CNc1cc(F)cc(Cl)c1.Cl | <BB_3158> |
What is the molecular formula for <BB_3158>? | The molecular formula for <BB_3158> (CNc1cc(F)cc(Cl)c1.Cl) is C7H8Cl2FN. | |
Describe the ring structures in building block <BB_3158>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3158>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3158>. | **Token:** <BB_3158>
**SMILES:** CNc1cc(F)cc(Cl)c1.Cl
**Molecular Formula:** C7H8Cl2FN
**Ring System:** The molecule contains 1 ring(s): 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_3159>. | O=C(CCl)c1cccs1 | |
What is the building block token for the following molecule? | O=C(CCl)c1cccs1 | <BB_3159> |
What is the molecular formula for <BB_3159>? | The molecular formula for <BB_3159> (O=C(CCl)c1cccs1) is C6H5ClOS. | |
Describe the ring structures in building block <BB_3159>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3159>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3159>. | **Token:** <BB_3159>
**SMILES:** O=C(CCl)c1cccs1
**Molecular Formula:** C6H5ClOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3160>. | C[Si](C)(C)C(F)F | |
What is the building block token for the following molecule? | C[Si](C)(C)C(F)F | <BB_3160> |
What is the molecular formula for <BB_3160>? | The molecular formula for <BB_3160> (C[Si](C)(C)C(F)F) is C4H10F2Si. | |
Describe the ring structures in building block <BB_3160>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3160>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3160>. | **Token:** <BB_3160>
**SMILES:** C[Si](C)(C)C(F)F
**Molecular Formula:** C4H10F2Si
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3161>. | CC1(C)[C@H](N)[C@H]1c1ccccc1 | |
What is the building block token for the following molecule? | CC1(C)[C@H](N)[C@H]1c1ccccc1 | <BB_3161> |
What is the molecular formula for <BB_3161>? | The molecular formula for <BB_3161> (CC1(C)[C@H](N)[C@H]1c1ccccc1) is C11H15N. | |
Describe the ring structures in building block <BB_3161>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3161>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3161>. | **Token:** <BB_3161>
**SMILES:** CC1(C)[C@H](N)[C@H]1c1ccccc1
**Molecular Formula:** C11H15N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3162>. | Cl.NCCn1cnc2sccc2c1=O | |
What is the building block token for the following molecule? | Cl.NCCn1cnc2sccc2c1=O | <BB_3162> |
What is the molecular formula for <BB_3162>? | The molecular formula for <BB_3162> (Cl.NCCn1cnc2sccc2c1=O) is C8H10ClN3OS. | |
Describe the ring structures in building block <BB_3162>. | 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_3162>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3162>. | **Token:** <BB_3162>
**SMILES:** Cl.NCCn1cnc2sccc2c1=O
**Molecular Formula:** C8H10ClN3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3163>. | CC(C)(C)OC(=O)NC1CN(c2ccc(N)cc2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CN(c2ccc(N)cc2)C1 | <BB_3163> |
What is the molecular formula for <BB_3163>? | The molecular formula for <BB_3163> (CC(C)(C)OC(=O)NC1CN(c2ccc(N)cc2)C1) is C14H21N3O2. | |
Describe the ring structures in building block <BB_3163>. | 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_3163>. | The molecule contains the following groups: Amine, Tertiary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3163>. | **Token:** <BB_3163>
**SMILES:** CC(C)(C)OC(=O)NC1CN(c2ccc(N)cc2)C1
**Molecular Formula:** C14H21N3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_3164>. | Nc1nnc(C2CCC2)s1 | |
What is the building block token for the following molecule? | Nc1nnc(C2CCC2)s1 | <BB_3164> |
What is the molecular formula for <BB_3164>? | The molecular formula for <BB_3164> (Nc1nnc(C2CCC2)s1) is C6H9N3S. | |
Describe the ring structures in building block <BB_3164>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3164>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3164>. | **Token:** <BB_3164>
**SMILES:** Nc1nnc(C2CCC2)s1
**Molecular Formula:** C6H9N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3165>. | S=C1CCCC2CCCCC2N1 | |
What is the building block token for the following molecule? | S=C1CCCC2CCCCC2N1 | <BB_3165> |
What is the molecular formula for <BB_3165>? | The molecular formula for <BB_3165> (S=C1CCCC2CCCCC2N1) is C10H17NS. | |
Describe the ring structures in building block <BB_3165>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3165>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3165>. | **Token:** <BB_3165>
**SMILES:** S=C1CCCC2CCCCC2N1
**Molecular Formula:** C10H17NS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_3166>. | COC(=O)c1cnc(CCl)nc1Cl | |
What is the building block token for the following molecule? | COC(=O)c1cnc(CCl)nc1Cl | <BB_3166> |
What is the molecular formula for <BB_3166>? | The molecular formula for <BB_3166> (COC(=O)c1cnc(CCl)nc1Cl) is C7H6Cl2N2O2. | |
Describe the ring structures in building block <BB_3166>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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