instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1066>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1066>. | **Token:** <BB_1066>
**SMILES:** CS(=O)(=O)N1CCC(Br)C1
**Molecular Formula:** C5H10BrNO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1067>. | CC(C)(C)OC(=O)NC(Cc1cccs1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(Cc1cccs1)C(=O)O | <BB_1067> |
What is the molecular formula for <BB_1067>? | The molecular formula for <BB_1067> (CC(C)(C)OC(=O)NC(Cc1cccs1)C(=O)O) is C12H17NO4S. | |
Describe the ring structures in building block <BB_1067>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1067>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1067>. | **Token:** <BB_1067>
**SMILES:** CC(C)(C)OC(=O)NC(Cc1cccs1)C(=O)O
**Molecular Formula:** C12H17NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1068>. | CC(C)(C)OC(=O)N1CC[C@]12C[C@@H](C(=O)O)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC[C@]12C[C@@H](C(=O)O)C2 | <BB_1068> |
What is the molecular formula for <BB_1068>? | The molecular formula for <BB_1068> (CC(C)(C)OC(=O)N1CC[C@]12C[C@@H](C(=O)O)C2) is C12H19NO4. | |
Describe the ring structures in building block <BB_1068>. | 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_1068>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1068>. | **Token:** <BB_1068>
**SMILES:** CC(C)(C)OC(=O)N1CC[C@]12C[C@@H](C(=O)O)C2
**Molecular Formula:** C12H19NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1069>. | O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1 | |
What is the building block token for the following molecule? | O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1 | <BB_1069> |
What is the molecular formula for <BB_1069>? | The molecular formula for <BB_1069> (O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1) is C11H13F3N2O2S. | |
Describe the ring structures in building block <BB_1069>. | 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_1069>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1069>. | **Token:** <BB_1069>
**SMILES:** O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1
**Molecular Formula:** C11H13F3N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1070>. | COC(=O)c1cc(C(C)(C)C)sc1N | |
What is the building block token for the following molecule? | COC(=O)c1cc(C(C)(C)C)sc1N | <BB_1070> |
What is the molecular formula for <BB_1070>? | The molecular formula for <BB_1070> (COC(=O)c1cc(C(C)(C)C)sc1N) is C10H15NO2S. | |
Describe the ring structures in building block <BB_1070>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1070>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1070>. | **Token:** <BB_1070>
**SMILES:** COC(=O)c1cc(C(C)(C)C)sc1N
**Molecular Formula:** C10H15NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1071>. | Cl.Nc1ccc(CC(=O)NCCO)cc1 | |
What is the building block token for the following molecule? | Cl.Nc1ccc(CC(=O)NCCO)cc1 | <BB_1071> |
What is the molecular formula for <BB_1071>? | The molecular formula for <BB_1071> (Cl.Nc1ccc(CC(=O)NCCO)cc1) is C10H15ClN2O2. | |
Describe the ring structures in building block <BB_1071>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1071>. | The molecule contains the following groups: Amine, Amide, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1071>. | **Token:** <BB_1071>
**SMILES:** Cl.Nc1ccc(CC(=O)NCCO)cc1
**Molecular Formula:** C10H15ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1072>. | N#CN=[N+]([O-])c1ccc(C(=O)O)cc1 | |
What is the building block token for the following molecule? | N#CN=[N+]([O-])c1ccc(C(=O)O)cc1 | <BB_1072> |
What is the molecular formula for <BB_1072>? | The molecular formula for <BB_1072> (N#CN=[N+]([O-])c1ccc(C(=O)O)cc1) is C8H5N3O3. | |
Describe the ring structures in building block <BB_1072>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1072>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1072>. | **Token:** <BB_1072>
**SMILES:** N#CN=[N+]([O-])c1ccc(C(=O)O)cc1
**Molecular Formula:** C8H5N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_1073>. | O=C(O)CCCC1CCCCC1 | |
What is the building block token for the following molecule? | O=C(O)CCCC1CCCCC1 | <BB_1073> |
What is the molecular formula for <BB_1073>? | The molecular formula for <BB_1073> (O=C(O)CCCC1CCCCC1) is C10H18O2. | |
Describe the ring structures in building block <BB_1073>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1073>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1073>. | **Token:** <BB_1073>
**SMILES:** O=C(O)CCCC1CCCCC1
**Molecular Formula:** C10H18O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1074>. | COc1ccnc(CC#N)c1 | |
What is the building block token for the following molecule? | COc1ccnc(CC#N)c1 | <BB_1074> |
What is the molecular formula for <BB_1074>? | The molecular formula for <BB_1074> (COc1ccnc(CC#N)c1) is C8H8N2O. | |
Describe the ring structures in building block <BB_1074>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1074>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1074>. | **Token:** <BB_1074>
**SMILES:** COc1ccnc(CC#N)c1
**Molecular Formula:** C8H8N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_1075>. | Cc1cc(F)cc(Br)c1Cl | |
What is the building block token for the following molecule? | Cc1cc(F)cc(Br)c1Cl | <BB_1075> |
What is the molecular formula for <BB_1075>? | The molecular formula for <BB_1075> (Cc1cc(F)cc(Br)c1Cl) is C7H5BrClF. | |
Describe the ring structures in building block <BB_1075>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1075>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1075>. | **Token:** <BB_1075>
**SMILES:** Cc1cc(F)cc(Br)c1Cl
**Molecular Formula:** C7H5BrClF
**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_1076>. | Cc1ccc(CN)cc1S(C)(=O)=O.Cl | |
What is the building block token for the following molecule? | Cc1ccc(CN)cc1S(C)(=O)=O.Cl | <BB_1076> |
What is the molecular formula for <BB_1076>? | The molecular formula for <BB_1076> (Cc1ccc(CN)cc1S(C)(=O)=O.Cl) is C9H14ClNO2S. | |
Describe the ring structures in building block <BB_1076>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1076>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1076>. | **Token:** <BB_1076>
**SMILES:** Cc1ccc(CN)cc1S(C)(=O)=O.Cl
**Molecular Formula:** C9H14ClNO2S
**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_1077>. | CC(C)(C)OC(=O)N1CCCOC(CC=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCOC(CC=O)C1 | <BB_1077> |
What is the molecular formula for <BB_1077>? | The molecular formula for <BB_1077> (CC(C)(C)OC(=O)N1CCCOC(CC=O)C1) is C12H21NO4. | |
Describe the ring structures in building block <BB_1077>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_1077>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1077>. | **Token:** <BB_1077>
**SMILES:** CC(C)(C)OC(=O)N1CCCOC(CC=O)C1
**Molecular Formula:** C12H21NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1078>. | O=C(O)C1CCCN(c2ccc(C(F)(F)F)cn2)C1 | |
What is the building block token for the following molecule? | O=C(O)C1CCCN(c2ccc(C(F)(F)F)cn2)C1 | <BB_1078> |
What is the molecular formula for <BB_1078>? | The molecular formula for <BB_1078> (O=C(O)C1CCCN(c2ccc(C(F)(F)F)cn2)C1) is C12H13F3N2O2. | |
Describe the ring structures in building block <BB_1078>. | 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_1078>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1078>. | **Token:** <BB_1078>
**SMILES:** O=C(O)C1CCCN(c2ccc(C(F)(F)F)cn2)C1
**Molecular Formula:** C12H13F3N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1079>. | CCOC(=O)C12COC(CO)(C1)C2 | |
What is the building block token for the following molecule? | CCOC(=O)C12COC(CO)(C1)C2 | <BB_1079> |
What is the molecular formula for <BB_1079>? | The molecular formula for <BB_1079> (CCOC(=O)C12COC(CO)(C1)C2) is C9H14O4. | |
Describe the ring structures in building block <BB_1079>. | 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_1079>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1079>. | **Token:** <BB_1079>
**SMILES:** CCOC(=O)C12COC(CO)(C1)C2
**Molecular Formula:** C9H14O4
**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:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1080>. | FC(F)Oc1nccnc1Cl | |
What is the building block token for the following molecule? | FC(F)Oc1nccnc1Cl | <BB_1080> |
What is the molecular formula for <BB_1080>? | The molecular formula for <BB_1080> (FC(F)Oc1nccnc1Cl) is C5H3ClF2N2O. | |
Describe the ring structures in building block <BB_1080>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1080>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1080>. | **Token:** <BB_1080>
**SMILES:** FC(F)Oc1nccnc1Cl
**Molecular Formula:** C5H3ClF2N2O
**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_1081>. | COC(=O)C1(C(F)F)CCNC1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1(C(F)F)CCNC1.Cl | <BB_1081> |
What is the molecular formula for <BB_1081>? | The molecular formula for <BB_1081> (COC(=O)C1(C(F)F)CCNC1.Cl) is C7H12ClF2NO2. | |
Describe the ring structures in building block <BB_1081>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1081>. | 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_1081>. | **Token:** <BB_1081>
**SMILES:** COC(=O)C1(C(F)F)CCNC1.Cl
**Molecular Formula:** C7H12ClF2NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1082>. | C=CC(=O)N1CCCC1 | |
What is the building block token for the following molecule? | C=CC(=O)N1CCCC1 | <BB_1082> |
What is the molecular formula for <BB_1082>? | The molecular formula for <BB_1082> (C=CC(=O)N1CCCC1) is C7H11NO. | |
Describe the ring structures in building block <BB_1082>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1082>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1082>. | **Token:** <BB_1082>
**SMILES:** C=CC(=O)N1CCCC1
**Molecular Formula:** C7H11NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1083>. | Cn1cncc1C1CCCNC1 | |
What is the building block token for the following molecule? | Cn1cncc1C1CCCNC1 | <BB_1083> |
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