instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_983>? | The molecular formula for <BB_983> (Cc1cc(C)c(CC=O)c(C)c1) is C11H14O. | |
Describe the ring structures in building block <BB_983>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_983>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_983>. | **Token:** <BB_983>
**SMILES:** Cc1cc(C)c(CC=O)c(C)c1
**Molecular Formula:** C11H14O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_984>. | BrCCCCCCCCCC1CC1 | |
What is the building block token for the following molecule? | BrCCCCCCCCCC1CC1 | <BB_984> |
What is the molecular formula for <BB_984>? | The molecular formula for <BB_984> (BrCCCCCCCCCC1CC1) is C12H23Br. | |
Describe the ring structures in building block <BB_984>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_984>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_984>. | **Token:** <BB_984>
**SMILES:** BrCCCCCCCCCC1CC1
**Molecular Formula:** C12H23Br
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_985>. | COC(=O)C1CC2(CC(=O)N2)C1 | |
What is the building block token for the following molecule? | COC(=O)C1CC2(CC(=O)N2)C1 | <BB_985> |
What is the molecular formula for <BB_985>? | The molecular formula for <BB_985> (COC(=O)C1CC2(CC(=O)N2)C1) is C8H11NO3. | |
Describe the ring structures in building block <BB_985>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_985>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_985>. | **Token:** <BB_985>
**SMILES:** COC(=O)C1CC2(CC(=O)N2)C1
**Molecular Formula:** C8H11NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_986>. | CCOC=C1C(=O)NC(=O)c2ccccc21 | |
What is the building block token for the following molecule? | CCOC=C1C(=O)NC(=O)c2ccccc21 | <BB_986> |
What is the molecular formula for <BB_986>? | The molecular formula for <BB_986> (CCOC=C1C(=O)NC(=O)c2ccccc21) is C12H11NO3. | |
Describe the ring structures in building block <BB_986>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_986>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_986>. | **Token:** <BB_986>
**SMILES:** CCOC=C1C(=O)NC(=O)c2ccccc21
**Molecular Formula:** C12H11NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_987>. | CNCc1ncco1.Cl | |
What is the building block token for the following molecule? | CNCc1ncco1.Cl | <BB_987> |
What is the molecular formula for <BB_987>? | The molecular formula for <BB_987> (CNCc1ncco1.Cl) is C5H9ClN2O. | |
Describe the ring structures in building block <BB_987>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_987>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_987>. | **Token:** <BB_987>
**SMILES:** CNCc1ncco1.Cl
**Molecular Formula:** C5H9ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_988>. | CC(C)(C)OC(=O)N(O)CC(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N(O)CC(=O)O | <BB_988> |
What is the molecular formula for <BB_988>? | The molecular formula for <BB_988> (CC(C)(C)OC(=O)N(O)CC(=O)O) is C7H13NO5. | |
Describe the ring structures in building block <BB_988>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_988>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_988>. | **Token:** <BB_988>
**SMILES:** CC(C)(C)OC(=O)N(O)CC(=O)O
**Molecular Formula:** C7H13NO5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_989>. | CSc1ccnc(C(=N)N)c1.Cl | |
What is the building block token for the following molecule? | CSc1ccnc(C(=N)N)c1.Cl | <BB_989> |
What is the molecular formula for <BB_989>? | The molecular formula for <BB_989> (CSc1ccnc(C(=N)N)c1.Cl) is C7H10ClN3S. | |
Describe the ring structures in building block <BB_989>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_989>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_989>. | **Token:** <BB_989>
**SMILES:** CSc1ccnc(C(=N)N)c1.Cl
**Molecular Formula:** C7H10ClN3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_990>. | O=C(O)CC1(c2ccon2)CS(=O)(=O)C1 | |
What is the building block token for the following molecule? | O=C(O)CC1(c2ccon2)CS(=O)(=O)C1 | <BB_990> |
What is the molecular formula for <BB_990>? | The molecular formula for <BB_990> (O=C(O)CC1(c2ccon2)CS(=O)(=O)C1) is C8H9NO5S. | |
Describe the ring structures in building block <BB_990>. | 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_990>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_990>. | **Token:** <BB_990>
**SMILES:** O=C(O)CC1(c2ccon2)CS(=O)(=O)C1
**Molecular Formula:** C8H9NO5S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_991>. | Cc1nc(CCl)oc1-c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | Cc1nc(CCl)oc1-c1ccc(Cl)cc1 | <BB_991> |
What is the molecular formula for <BB_991>? | The molecular formula for <BB_991> (Cc1nc(CCl)oc1-c1ccc(Cl)cc1) is C11H9Cl2NO. | |
Describe the ring structures in building block <BB_991>. | 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_991>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_991>. | **Token:** <BB_991>
**SMILES:** Cc1nc(CCl)oc1-c1ccc(Cl)cc1
**Molecular Formula:** C11H9Cl2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_992>. | Cn1cc(CCCl)nn1 | |
What is the building block token for the following molecule? | Cn1cc(CCCl)nn1 | <BB_992> |
What is the molecular formula for <BB_992>? | The molecular formula for <BB_992> (Cn1cc(CCCl)nn1) is C5H8ClN3. | |
Describe the ring structures in building block <BB_992>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_992>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_992>. | **Token:** <BB_992>
**SMILES:** Cn1cc(CCCl)nn1
**Molecular Formula:** C5H8ClN3
**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_993>. | FC(F)(F)c1cccc(Br)c1CBr | |
What is the building block token for the following molecule? | FC(F)(F)c1cccc(Br)c1CBr | <BB_993> |
What is the molecular formula for <BB_993>? | The molecular formula for <BB_993> (FC(F)(F)c1cccc(Br)c1CBr) is C8H5Br2F3. | |
Describe the ring structures in building block <BB_993>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_993>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_993>. | **Token:** <BB_993>
**SMILES:** FC(F)(F)c1cccc(Br)c1CBr
**Molecular Formula:** C8H5Br2F3
**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_994>. | NC(c1ccccc1)c1ccc(Cl)cc1Cl | |
What is the building block token for the following molecule? | NC(c1ccccc1)c1ccc(Cl)cc1Cl | <BB_994> |
What is the molecular formula for <BB_994>? | The molecular formula for <BB_994> (NC(c1ccccc1)c1ccc(Cl)cc1Cl) is C13H11Cl2N. | |
Describe the ring structures in building block <BB_994>. | 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_994>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_994>. | **Token:** <BB_994>
**SMILES:** NC(c1ccccc1)c1ccc(Cl)cc1Cl
**Molecular Formula:** C13H11Cl2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_995>. | Clc1cc(Cl)n2ccnc2n1 | |
What is the building block token for the following molecule? | Clc1cc(Cl)n2ccnc2n1 | <BB_995> |
What is the molecular formula for <BB_995>? | The molecular formula for <BB_995> (Clc1cc(Cl)n2ccnc2n1) is C6H3Cl2N3. | |
Describe the ring structures in building block <BB_995>. | 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_995>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_995>. | **Token:** <BB_995>
**SMILES:** Clc1cc(Cl)n2ccnc2n1
**Molecular Formula:** C6H3Cl2N3
**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_996>. | CN(Cc1csc(N)n1)C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CN(Cc1csc(N)n1)C(=O)OC(C)(C)C | <BB_996> |
What is the molecular formula for <BB_996>? | The molecular formula for <BB_996> (CN(Cc1csc(N)n1)C(=O)OC(C)(C)C) is C10H17N3O2S. | |
Describe the ring structures in building block <BB_996>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_996>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_996>. | **Token:** <BB_996>
**SMILES:** CN(Cc1csc(N)n1)C(=O)OC(C)(C)C
**Molecular Formula:** C10H17N3O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_997>. | O=C(O)C12CCC(C(F)F)(CC1)CC2 | |
What is the building block token for the following molecule? | O=C(O)C12CCC(C(F)F)(CC1)CC2 | <BB_997> |
What is the molecular formula for <BB_997>? | The molecular formula for <BB_997> (O=C(O)C12CCC(C(F)F)(CC1)CC2) is C10H14F2O2. | |
Describe the ring structures in building block <BB_997>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_997>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_997>. | **Token:** <BB_997>
**SMILES:** O=C(O)C12CCC(C(F)F)(CC1)CC2
**Molecular Formula:** C10H14F2O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_998>. | Cc1cc(C)n(CCCC(=O)O)n1 | |
What is the building block token for the following molecule? | Cc1cc(C)n(CCCC(=O)O)n1 | <BB_998> |
What is the molecular formula for <BB_998>? | The molecular formula for <BB_998> (Cc1cc(C)n(CCCC(=O)O)n1) is C9H14N2O2. | |
Describe the ring structures in building block <BB_998>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_998>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_998>. | **Token:** <BB_998>
**SMILES:** Cc1cc(C)n(CCCC(=O)O)n1
**Molecular Formula:** C9H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_999>. | COC(=O)C1(c2ccc(F)cc2)CCNC1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1(c2ccc(F)cc2)CCNC1.Cl | <BB_999> |
What is the molecular formula for <BB_999>? | The molecular formula for <BB_999> (COC(=O)C1(c2ccc(F)cc2)CCNC1.Cl) is C12H15ClFNO2. | |
Describe the ring structures in building block <BB_999>. | 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_999>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_999>. | **Token:** <BB_999>
**SMILES:** COC(=O)C1(c2ccc(F)cc2)CCNC1.Cl
**Molecular Formula:** C12H15ClFNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) |
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