instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_1266>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1266>. | **Token:** <BB_1266>
**SMILES:** CSCCC(NC(=O)OC(C)(C)C)C(=O)O
**Molecular Formula:** C10H19NO4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_1267>. | C#CC1CCC2(CC1)CC2 | |
What is the building block token for the following molecule? | C#CC1CCC2(CC1)CC2 | <BB_1267> |
What is the molecular formula for <BB_1267>? | The molecular formula for <BB_1267> (C#CC1CCC2(CC1)CC2) is C10H14. | |
Describe the ring structures in building block <BB_1267>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1267>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1267>. | **Token:** <BB_1267>
**SMILES:** C#CC1CCC2(CC1)CC2
**Molecular Formula:** C10H14
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1268>. | Clc1cncc(N2CCCC2)n1 | |
What is the building block token for the following molecule? | Clc1cncc(N2CCCC2)n1 | <BB_1268> |
What is the molecular formula for <BB_1268>? | The molecular formula for <BB_1268> (Clc1cncc(N2CCCC2)n1) is C8H10ClN3. | |
Describe the ring structures in building block <BB_1268>. | 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_1268>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1268>. | **Token:** <BB_1268>
**SMILES:** Clc1cncc(N2CCCC2)n1
**Molecular Formula:** C8H10ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1269>. | NC(=S)c1cccc(NC(=O)c2cn[nH]c2)c1 | |
What is the building block token for the following molecule? | NC(=S)c1cccc(NC(=O)c2cn[nH]c2)c1 | <BB_1269> |
What is the molecular formula for <BB_1269>? | The molecular formula for <BB_1269> (NC(=S)c1cccc(NC(=O)c2cn[nH]c2)c1) is C11H10N4OS. | |
Describe the ring structures in building block <BB_1269>. | 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_1269>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1269>. | **Token:** <BB_1269>
**SMILES:** NC(=S)c1cccc(NC(=O)c2cn[nH]c2)c1
**Molecular Formula:** C11H10N4OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1270>. | Cl.Cl.NCc1nnc(C2CCOC2)[nH]1 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1nnc(C2CCOC2)[nH]1 | <BB_1270> |
What is the molecular formula for <BB_1270>? | The molecular formula for <BB_1270> (Cl.Cl.NCc1nnc(C2CCOC2)[nH]1) is C7H14Cl2N4O. | |
Describe the ring structures in building block <BB_1270>. | 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_1270>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1270>. | **Token:** <BB_1270>
**SMILES:** Cl.Cl.NCc1nnc(C2CCOC2)[nH]1
**Molecular Formula:** C7H14Cl2N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1271>. | CC(C)C(C#N)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | CC(C)C(C#N)c1ccc(Cl)cc1 | <BB_1271> |
What is the molecular formula for <BB_1271>? | The molecular formula for <BB_1271> (CC(C)C(C#N)c1ccc(Cl)cc1) is C11H12ClN. | |
Describe the ring structures in building block <BB_1271>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1271>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1271>. | **Token:** <BB_1271>
**SMILES:** CC(C)C(C#N)c1ccc(Cl)cc1
**Molecular Formula:** C11H12ClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1272>. | Cc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Cc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] | <BB_1272> |
What is the molecular formula for <BB_1272>? | The molecular formula for <BB_1272> (Cc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]) is C7H8N2O4S. | |
Describe the ring structures in building block <BB_1272>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1272>. | The molecule contains the following groups: Amine, Tertiary Amine, Nitro, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1272>. | **Token:** <BB_1272>
**SMILES:** Cc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]
**Molecular Formula:** C7H8N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Nitro, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1273>. | Cc1nnc(Cl)nc1C | |
What is the building block token for the following molecule? | Cc1nnc(Cl)nc1C | <BB_1273> |
What is the molecular formula for <BB_1273>? | The molecular formula for <BB_1273> (Cc1nnc(Cl)nc1C) is C5H6ClN3. | |
Describe the ring structures in building block <BB_1273>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1273>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1273>. | **Token:** <BB_1273>
**SMILES:** Cc1nnc(Cl)nc1C
**Molecular Formula:** C5H6ClN3
**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_1274>. | CCOC(=O)Cn1nc([N+](=O)[O-])cc1C | |
What is the building block token for the following molecule? | CCOC(=O)Cn1nc([N+](=O)[O-])cc1C | <BB_1274> |
What is the molecular formula for <BB_1274>? | The molecular formula for <BB_1274> (CCOC(=O)Cn1nc([N+](=O)[O-])cc1C) is C8H11N3O4. | |
Describe the ring structures in building block <BB_1274>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1274>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1274>. | **Token:** <BB_1274>
**SMILES:** CCOC(=O)Cn1nc([N+](=O)[O-])cc1C
**Molecular Formula:** C8H11N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_1275>. | O=C(O)Cn1cnc(Cl)n1 | |
What is the building block token for the following molecule? | O=C(O)Cn1cnc(Cl)n1 | <BB_1275> |
What is the molecular formula for <BB_1275>? | The molecular formula for <BB_1275> (O=C(O)Cn1cnc(Cl)n1) is C4H4ClN3O2. | |
Describe the ring structures in building block <BB_1275>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1275>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1275>. | **Token:** <BB_1275>
**SMILES:** O=C(O)Cn1cnc(Cl)n1
**Molecular Formula:** C4H4ClN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1276>. | CCCCN(C(=O)CCl)C1CCS(=O)(=O)C1 | |
What is the building block token for the following molecule? | CCCCN(C(=O)CCl)C1CCS(=O)(=O)C1 | <BB_1276> |
What is the molecular formula for <BB_1276>? | The molecular formula for <BB_1276> (CCCCN(C(=O)CCl)C1CCS(=O)(=O)C1) is C10H18ClNO3S. | |
Describe the ring structures in building block <BB_1276>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1276>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1276>. | **Token:** <BB_1276>
**SMILES:** CCCCN(C(=O)CCl)C1CCS(=O)(=O)C1
**Molecular Formula:** C10H18ClNO3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1277>. | O=C1NC(=O)C(c2ccc(C(=O)O)cc2)S1 | |
What is the building block token for the following molecule? | O=C1NC(=O)C(c2ccc(C(=O)O)cc2)S1 | <BB_1277> |
What is the molecular formula for <BB_1277>? | The molecular formula for <BB_1277> (O=C1NC(=O)C(c2ccc(C(=O)O)cc2)S1) is C10H7NO4S. | |
Describe the ring structures in building block <BB_1277>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1277>. | The molecule contains the following groups: Carboxylic Acid, Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1277>. | **Token:** <BB_1277>
**SMILES:** O=C1NC(=O)C(c2ccc(C(=O)O)cc2)S1
**Molecular Formula:** C10H7NO4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_1278>. | CSc1ccc(Br)c(Cl)c1 | |
What is the building block token for the following molecule? | CSc1ccc(Br)c(Cl)c1 | <BB_1278> |
What is the molecular formula for <BB_1278>? | The molecular formula for <BB_1278> (CSc1ccc(Br)c(Cl)c1) is C7H6BrClS. | |
Describe the ring structures in building block <BB_1278>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1278>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1278>. | **Token:** <BB_1278>
**SMILES:** CSc1ccc(Br)c(Cl)c1
**Molecular Formula:** C7H6BrClS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1279>. | CNCc1ccc(C(=O)NCC(F)(F)F)cc1.Cl | |
What is the building block token for the following molecule? | CNCc1ccc(C(=O)NCC(F)(F)F)cc1.Cl | <BB_1279> |
What is the molecular formula for <BB_1279>? | The molecular formula for <BB_1279> (CNCc1ccc(C(=O)NCC(F)(F)F)cc1.Cl) is C11H14ClF3N2O. | |
Describe the ring structures in building block <BB_1279>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1279>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1279>. | **Token:** <BB_1279>
**SMILES:** CNCc1ccc(C(=O)NCC(F)(F)F)cc1.Cl
**Molecular Formula:** C11H14ClF3N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1280>. | COc1ccc(CBr)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | COc1ccc(CBr)cc1[N+](=O)[O-] | <BB_1280> |
What is the molecular formula for <BB_1280>? | The molecular formula for <BB_1280> (COc1ccc(CBr)cc1[N+](=O)[O-]) is C8H8BrNO3. | |
Describe the ring structures in building block <BB_1280>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1280>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1280>. | **Token:** <BB_1280>
**SMILES:** COc1ccc(CBr)cc1[N+](=O)[O-]
**Molecular Formula:** C8H8BrNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1281>. | Cc1cc(=O)n2nc(Cl)c(C)cc2n1 | |
What is the building block token for the following molecule? | Cc1cc(=O)n2nc(Cl)c(C)cc2n1 | <BB_1281> |
What is the molecular formula for <BB_1281>? | The molecular formula for <BB_1281> (Cc1cc(=O)n2nc(Cl)c(C)cc2n1) is C9H8ClN3O. | |
Describe the ring structures in building block <BB_1281>. | 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_1281>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1281>. | **Token:** <BB_1281>
**SMILES:** Cc1cc(=O)n2nc(Cl)c(C)cc2n1
**Molecular Formula:** C9H8ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1282>. | CC1(C)C(=O)CC12CSC2 | |
What is the building block token for the following molecule? | CC1(C)C(=O)CC12CSC2 | <BB_1282> |
What is the molecular formula for <BB_1282>? | The molecular formula for <BB_1282> (CC1(C)C(=O)CC12CSC2) is C8H12OS. | |
Describe the ring structures in building block <BB_1282>. | 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_1282>. | The molecule contains the following groups: Ketone, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1282>. | **Token:** <BB_1282>
**SMILES:** CC1(C)C(=O)CC12CSC2
**Molecular Formula:** C8H12OS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Ketone, Sulfide | |
Provide the SMILES representation for the building block token <BB_1283>. | OCC(O)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | OCC(O)c1ccc(F)cc1 | <BB_1283> |
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