instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1416>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1416>. | **Token:** <BB_1416>
**SMILES:** Cl.NC1C2CC3C(C2)C13C(=O)O
**Molecular Formula:** C8H12ClNO2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1417>. | Cc1nn(-c2ccccc2)c(C)c1C(=O)C(F)(F)F | |
What is the building block token for the following molecule? | Cc1nn(-c2ccccc2)c(C)c1C(=O)C(F)(F)F | <BB_1417> |
What is the molecular formula for <BB_1417>? | The molecular formula for <BB_1417> (Cc1nn(-c2ccccc2)c(C)c1C(=O)C(F)(F)F) is C13H11F3N2O. | |
Describe the ring structures in building block <BB_1417>. | 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_1417>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1417>. | **Token:** <BB_1417>
**SMILES:** Cc1nn(-c2ccccc2)c(C)c1C(=O)C(F)(F)F
**Molecular Formula:** C13H11F3N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1418>. | FC1(F)C2(CC2)C12CNC2.O=C(O)C(F)(F)F | |
What is the building block token for the following molecule? | FC1(F)C2(CC2)C12CNC2.O=C(O)C(F)(F)F | <BB_1418> |
What is the molecular formula for <BB_1418>? | The molecular formula for <BB_1418> (FC1(F)C2(CC2)C12CNC2.O=C(O)C(F)(F)F) is C9H10F5NO2. | |
Describe the ring structures in building block <BB_1418>. | The molecule contains 3 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1418>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1418>. | **Token:** <BB_1418>
**SMILES:** FC1(F)C2(CC2)C12CNC2.O=C(O)C(F)(F)F
**Molecular Formula:** C9H10F5NO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1419>. | Cc1ccc(NC(=O)N(C)C)cc1N | |
What is the building block token for the following molecule? | Cc1ccc(NC(=O)N(C)C)cc1N | <BB_1419> |
What is the molecular formula for <BB_1419>? | The molecular formula for <BB_1419> (Cc1ccc(NC(=O)N(C)C)cc1N) is C10H15N3O. | |
Describe the ring structures in building block <BB_1419>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1419>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1419>. | **Token:** <BB_1419>
**SMILES:** Cc1ccc(NC(=O)N(C)C)cc1N
**Molecular Formula:** C10H15N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1420>. | CNCc1ccc(C)c(F)c1F.Cl | |
What is the building block token for the following molecule? | CNCc1ccc(C)c(F)c1F.Cl | <BB_1420> |
What is the molecular formula for <BB_1420>? | The molecular formula for <BB_1420> (CNCc1ccc(C)c(F)c1F.Cl) is C9H12ClF2N. | |
Describe the ring structures in building block <BB_1420>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1420>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1420>. | **Token:** <BB_1420>
**SMILES:** CNCc1ccc(C)c(F)c1F.Cl
**Molecular Formula:** C9H12ClF2N
**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_1421>. | Cc1cc(C)c(C)c(C(=O)O)c1 | |
What is the building block token for the following molecule? | Cc1cc(C)c(C)c(C(=O)O)c1 | <BB_1421> |
What is the molecular formula for <BB_1421>? | The molecular formula for <BB_1421> (Cc1cc(C)c(C)c(C(=O)O)c1) is C10H12O2. | |
Describe the ring structures in building block <BB_1421>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1421>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1421>. | **Token:** <BB_1421>
**SMILES:** Cc1cc(C)c(C)c(C(=O)O)c1
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1422>. | CC1CN(C(=O)C(C)(C)C)CC(C)N1.Cl | |
What is the building block token for the following molecule? | CC1CN(C(=O)C(C)(C)C)CC(C)N1.Cl | <BB_1422> |
What is the molecular formula for <BB_1422>? | The molecular formula for <BB_1422> (CC1CN(C(=O)C(C)(C)C)CC(C)N1.Cl) is C11H23ClN2O. | |
Describe the ring structures in building block <BB_1422>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1422>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1422>. | **Token:** <BB_1422>
**SMILES:** CC1CN(C(=O)C(C)(C)C)CC(C)N1.Cl
**Molecular Formula:** C11H23ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1423>. | Cl.c1nnc(C2CCNCC2)o1 | |
What is the building block token for the following molecule? | Cl.c1nnc(C2CCNCC2)o1 | <BB_1423> |
What is the molecular formula for <BB_1423>? | The molecular formula for <BB_1423> (Cl.c1nnc(C2CCNCC2)o1) is C7H12ClN3O. | |
Describe the ring structures in building block <BB_1423>. | 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_1423>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1423>. | **Token:** <BB_1423>
**SMILES:** Cl.c1nnc(C2CCNCC2)o1
**Molecular Formula:** C7H12ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1424>. | O=C(c1ccc([N+](=O)[O-])cc1)C(F)(F)CBr | |
What is the building block token for the following molecule? | O=C(c1ccc([N+](=O)[O-])cc1)C(F)(F)CBr | <BB_1424> |
What is the molecular formula for <BB_1424>? | The molecular formula for <BB_1424> (O=C(c1ccc([N+](=O)[O-])cc1)C(F)(F)CBr) is C9H6BrF2NO3. | |
Describe the ring structures in building block <BB_1424>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1424>. | The molecule contains the following groups: Tertiary Amine, Ketone, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1424>. | **Token:** <BB_1424>
**SMILES:** O=C(c1ccc([N+](=O)[O-])cc1)C(F)(F)CBr
**Molecular Formula:** C9H6BrF2NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1425>. | CC(C)(C)OC(=O)N1CCC(N)C1CO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(N)C1CO | <BB_1425> |
What is the molecular formula for <BB_1425>? | The molecular formula for <BB_1425> (CC(C)(C)OC(=O)N1CCC(N)C1CO) is C10H20N2O3. | |
Describe the ring structures in building block <BB_1425>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1425>. | The molecule contains the following groups: Amine, Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1425>. | **Token:** <BB_1425>
**SMILES:** CC(C)(C)OC(=O)N1CCC(N)C1CO
**Molecular Formula:** C10H20N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1426>. | CCCS(=O)(=O)Nc1cccc(O)c1 | |
What is the building block token for the following molecule? | CCCS(=O)(=O)Nc1cccc(O)c1 | <BB_1426> |
What is the molecular formula for <BB_1426>? | The molecular formula for <BB_1426> (CCCS(=O)(=O)Nc1cccc(O)c1) is C9H13NO3S. | |
Describe the ring structures in building block <BB_1426>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1426>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1426>. | **Token:** <BB_1426>
**SMILES:** CCCS(=O)(=O)Nc1cccc(O)c1
**Molecular Formula:** C9H13NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1427>. | O=C=NCC1CC=CC1 | |
What is the building block token for the following molecule? | O=C=NCC1CC=CC1 | <BB_1427> |
What is the molecular formula for <BB_1427>? | The molecular formula for <BB_1427> (O=C=NCC1CC=CC1) is C7H9NO. | |
Describe the ring structures in building block <BB_1427>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1427>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1427>. | **Token:** <BB_1427>
**SMILES:** O=C=NCC1CC=CC1
**Molecular Formula:** C7H9NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1428>. | N#CCc1ccc(C(F)(F)F)cn1 | |
What is the building block token for the following molecule? | N#CCc1ccc(C(F)(F)F)cn1 | <BB_1428> |
What is the molecular formula for <BB_1428>? | The molecular formula for <BB_1428> (N#CCc1ccc(C(F)(F)F)cn1) is C8H5F3N2. | |
Describe the ring structures in building block <BB_1428>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1428>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1428>. | **Token:** <BB_1428>
**SMILES:** N#CCc1ccc(C(F)(F)F)cn1
**Molecular Formula:** C8H5F3N2
**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_1429>. | Cc1cccc(-n2ncc(C(=O)O)n2)c1 | |
What is the building block token for the following molecule? | Cc1cccc(-n2ncc(C(=O)O)n2)c1 | <BB_1429> |
What is the molecular formula for <BB_1429>? | The molecular formula for <BB_1429> (Cc1cccc(-n2ncc(C(=O)O)n2)c1) is C10H9N3O2. | |
Describe the ring structures in building block <BB_1429>. | 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_1429>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1429>. | **Token:** <BB_1429>
**SMILES:** Cc1cccc(-n2ncc(C(=O)O)n2)c1
**Molecular Formula:** C10H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1430>. | FC(F)Oc1ccccc1N1CCNCC1 | |
What is the building block token for the following molecule? | FC(F)Oc1ccccc1N1CCNCC1 | <BB_1430> |
What is the molecular formula for <BB_1430>? | The molecular formula for <BB_1430> (FC(F)Oc1ccccc1N1CCNCC1) is C11H14F2N2O. | |
Describe the ring structures in building block <BB_1430>. | 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_1430>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1430>. | **Token:** <BB_1430>
**SMILES:** FC(F)Oc1ccccc1N1CCNCC1
**Molecular Formula:** C11H14F2N2O
**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, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1431>. | CC(C)(C)C(N)CCc1cccc(F)c1 | |
What is the building block token for the following molecule? | CC(C)(C)C(N)CCc1cccc(F)c1 | <BB_1431> |
What is the molecular formula for <BB_1431>? | The molecular formula for <BB_1431> (CC(C)(C)C(N)CCc1cccc(F)c1) is C13H20FN. | |
Describe the ring structures in building block <BB_1431>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1431>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1431>. | **Token:** <BB_1431>
**SMILES:** CC(C)(C)C(N)CCc1cccc(F)c1
**Molecular Formula:** C13H20FN
**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_1432>. | Cc1ccc(C)c(S(=O)(=O)NN)c1 | |
What is the building block token for the following molecule? | Cc1ccc(C)c(S(=O)(=O)NN)c1 | <BB_1432> |
What is the molecular formula for <BB_1432>? | The molecular formula for <BB_1432> (Cc1ccc(C)c(S(=O)(=O)NN)c1) is C8H12N2O2S. | |
Describe the ring structures in building block <BB_1432>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1432>. | The molecule contains the following groups: Amine, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1432>. | **Token:** <BB_1432>
**SMILES:** Cc1ccc(C)c(S(=O)(=O)NN)c1
**Molecular Formula:** C8H12N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1433>. | CC(C)(C)OC(=O)N1CCC(F)(F)C(C#N)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(F)(F)C(C#N)C1 | <BB_1433> |
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