instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9866>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9866>. | **Token:** <BB_9866>
**SMILES:** CCCC(CCC)c1ccc(O)cc1
**Molecular Formula:** C13H20O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9867>. | N#Cc1cc(F)ccc1N1CCOCC1 | |
What is the building block token for the following molecule? | N#Cc1cc(F)ccc1N1CCOCC1 | <BB_9867> |
What is the molecular formula for <BB_9867>? | The molecular formula for <BB_9867> (N#Cc1cc(F)ccc1N1CCOCC1) is C11H11FN2O. | |
Describe the ring structures in building block <BB_9867>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9867>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9867>. | **Token:** <BB_9867>
**SMILES:** N#Cc1cc(F)ccc1N1CCOCC1
**Molecular Formula:** C11H11FN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9868>. | CC1CNC(=Nc2cnc3ccccc3c2)S1 | |
What is the building block token for the following molecule? | CC1CNC(=Nc2cnc3ccccc3c2)S1 | <BB_9868> |
What is the molecular formula for <BB_9868>? | The molecular formula for <BB_9868> (CC1CNC(=Nc2cnc3ccccc3c2)S1) is C13H13N3S. | |
Describe the ring structures in building block <BB_9868>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9868>. | The molecule contains the following groups: Secondary Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9868>. | **Token:** <BB_9868>
**SMILES:** CC1CNC(=Nc2cnc3ccccc3c2)S1
**Molecular Formula:** C13H13N3S
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_9869>. | COc1cnc(CCl)cn1 | |
What is the building block token for the following molecule? | COc1cnc(CCl)cn1 | <BB_9869> |
What is the molecular formula for <BB_9869>? | The molecular formula for <BB_9869> (COc1cnc(CCl)cn1) is C6H7ClN2O. | |
Describe the ring structures in building block <BB_9869>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9869>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9869>. | **Token:** <BB_9869>
**SMILES:** COc1cnc(CCl)cn1
**Molecular Formula:** C6H7ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9870>. | CCC(N)c1cccc(OC)c1OC | |
What is the building block token for the following molecule? | CCC(N)c1cccc(OC)c1OC | <BB_9870> |
What is the molecular formula for <BB_9870>? | The molecular formula for <BB_9870> (CCC(N)c1cccc(OC)c1OC) is C11H17NO2. | |
Describe the ring structures in building block <BB_9870>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9870>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9870>. | **Token:** <BB_9870>
**SMILES:** CCC(N)c1cccc(OC)c1OC
**Molecular Formula:** C11H17NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9871>. | CC(Cl)c1cccc([N+](=O)[O-])c1 | |
What is the building block token for the following molecule? | CC(Cl)c1cccc([N+](=O)[O-])c1 | <BB_9871> |
What is the molecular formula for <BB_9871>? | The molecular formula for <BB_9871> (CC(Cl)c1cccc([N+](=O)[O-])c1) is C8H8ClNO2. | |
Describe the ring structures in building block <BB_9871>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9871>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9871>. | **Token:** <BB_9871>
**SMILES:** CC(Cl)c1cccc([N+](=O)[O-])c1
**Molecular Formula:** C8H8ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9872>. | COc1ccc2c(CC(=O)O)coc2c1C | |
What is the building block token for the following molecule? | COc1ccc2c(CC(=O)O)coc2c1C | <BB_9872> |
What is the molecular formula for <BB_9872>? | The molecular formula for <BB_9872> (COc1ccc2c(CC(=O)O)coc2c1C) is C12H12O4. | |
Describe the ring structures in building block <BB_9872>. | 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_9872>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9872>. | **Token:** <BB_9872>
**SMILES:** COc1ccc2c(CC(=O)O)coc2c1C
**Molecular Formula:** C12H12O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9873>. | NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1 | |
What is the building block token for the following molecule? | NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1 | <BB_9873> |
What is the molecular formula for <BB_9873>? | The molecular formula for <BB_9873> (NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1) is C11H19N3O2S. | |
Describe the ring structures in building block <BB_9873>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9873>. | The molecule contains the following groups: Amine, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9873>. | **Token:** <BB_9873>
**SMILES:** NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1
**Molecular Formula:** C11H19N3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9874>. | CN(C)CCS(N)(=O)=O | |
What is the building block token for the following molecule? | CN(C)CCS(N)(=O)=O | <BB_9874> |
What is the molecular formula for <BB_9874>? | The molecular formula for <BB_9874> (CN(C)CCS(N)(=O)=O) is C4H12N2O2S. | |
Describe the ring structures in building block <BB_9874>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9874>. | The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9874>. | **Token:** <BB_9874>
**SMILES:** CN(C)CCS(N)(=O)=O
**Molecular Formula:** C4H12N2O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9875>. | O=C([O-])c1nnc(C(F)(F)F)s1.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])c1nnc(C(F)(F)F)s1.[Li+] | <BB_9875> |
What is the molecular formula for <BB_9875>? | The molecular formula for <BB_9875> (O=C([O-])c1nnc(C(F)(F)F)s1.[Li+]) is C4F3LiN2O2S. | |
Describe the ring structures in building block <BB_9875>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9875>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9875>. | **Token:** <BB_9875>
**SMILES:** O=C([O-])c1nnc(C(F)(F)F)s1.[Li+]
**Molecular Formula:** C4F3LiN2O2S
**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_9876>. | NCCCOCCCOCc1ccccc1 | |
What is the building block token for the following molecule? | NCCCOCCCOCc1ccccc1 | <BB_9876> |
What is the molecular formula for <BB_9876>? | The molecular formula for <BB_9876> (NCCCOCCCOCc1ccccc1) is C13H21NO2. | |
Describe the ring structures in building block <BB_9876>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9876>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9876>. | **Token:** <BB_9876>
**SMILES:** NCCCOCCCOCc1ccccc1
**Molecular Formula:** C13H21NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9877>. | O=C(NCCc1ccccc1)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(NCCc1ccccc1)c1ccccc1 | <BB_9877> |
What is the molecular formula for <BB_9877>? | The molecular formula for <BB_9877> (O=C(NCCc1ccccc1)c1ccccc1) is C15H15NO. | |
Describe the ring structures in building block <BB_9877>. | 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_9877>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9877>. | **Token:** <BB_9877>
**SMILES:** O=C(NCCc1ccccc1)c1ccccc1
**Molecular Formula:** C15H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9878>. | C=C(CC)CN1CCSC(C)(C)C1 | |
What is the building block token for the following molecule? | C=C(CC)CN1CCSC(C)(C)C1 | <BB_9878> |
What is the molecular formula for <BB_9878>? | The molecular formula for <BB_9878> (C=C(CC)CN1CCSC(C)(C)C1) is C11H21NS. | |
Describe the ring structures in building block <BB_9878>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9878>. | The molecule contains the following groups: Tertiary Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9878>. | **Token:** <BB_9878>
**SMILES:** C=C(CC)CN1CCSC(C)(C)C1
**Molecular Formula:** C11H21NS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_9879>. | CC(C)c1ncccc1B(O)O | |
What is the building block token for the following molecule? | CC(C)c1ncccc1B(O)O | <BB_9879> |
What is the molecular formula for <BB_9879>? | The molecular formula for <BB_9879> (CC(C)c1ncccc1B(O)O) is C8H12BNO2. | |
Describe the ring structures in building block <BB_9879>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9879>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9879>. | **Token:** <BB_9879>
**SMILES:** CC(C)c1ncccc1B(O)O
**Molecular Formula:** C8H12BNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9880>. | CC(C)c1noc(N)n1 | |
What is the building block token for the following molecule? | CC(C)c1noc(N)n1 | <BB_9880> |
What is the molecular formula for <BB_9880>? | The molecular formula for <BB_9880> (CC(C)c1noc(N)n1) is C5H9N3O. | |
Describe the ring structures in building block <BB_9880>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9880>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9880>. | **Token:** <BB_9880>
**SMILES:** CC(C)c1noc(N)n1
**Molecular Formula:** C5H9N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9881>. | CCn1cc(COc2ccc(N)cc2)c(C)n1 | |
What is the building block token for the following molecule? | CCn1cc(COc2ccc(N)cc2)c(C)n1 | <BB_9881> |
What is the molecular formula for <BB_9881>? | The molecular formula for <BB_9881> (CCn1cc(COc2ccc(N)cc2)c(C)n1) is C13H17N3O. | |
Describe the ring structures in building block <BB_9881>. | 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_9881>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9881>. | **Token:** <BB_9881>
**SMILES:** CCn1cc(COc2ccc(N)cc2)c(C)n1
**Molecular Formula:** C13H17N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9882>. | Clc1nc(N2CCOCC2)c2ccsc2n1 | |
What is the building block token for the following molecule? | Clc1nc(N2CCOCC2)c2ccsc2n1 | <BB_9882> |
What is the molecular formula for <BB_9882>? | The molecular formula for <BB_9882> (Clc1nc(N2CCOCC2)c2ccsc2n1) is C10H10ClN3OS. | |
Describe the ring structures in building block <BB_9882>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9882>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9882>. | **Token:** <BB_9882>
**SMILES:** Clc1nc(N2CCOCC2)c2ccsc2n1
**Molecular Formula:** C10H10ClN3OS
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9883>. | CC1(C)OC2(CO)CCC1C2 | |
What is the building block token for the following molecule? | CC1(C)OC2(CO)CCC1C2 | <BB_9883> |
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