instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_583>? | The molecular formula for <BB_583> (Cn1ncc2nc3c(c(Cl)c21)CCCC3) is C11H12ClN3. | |
Describe the ring structures in building block <BB_583>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_583>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_583>. | **Token:** <BB_583>
**SMILES:** Cn1ncc2nc3c(c(Cl)c21)CCCC3
**Molecular Formula:** C11H12ClN3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_584>. | Brc1c(NC2=NCCN2)ccc2nccnc12 | |
What is the building block token for the following molecule? | Brc1c(NC2=NCCN2)ccc2nccnc12 | <BB_584> |
What is the molecular formula for <BB_584>? | The molecular formula for <BB_584> (Brc1c(NC2=NCCN2)ccc2nccnc12) is C11H10BrN5. | |
Describe the ring structures in building block <BB_584>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_584>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_584>. | **Token:** <BB_584>
**SMILES:** Brc1c(NC2=NCCN2)ccc2nccnc12
**Molecular Formula:** C11H10BrN5
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, 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_585>. | NCCN1CCC(OCC(F)F)CC1 | |
What is the building block token for the following molecule? | NCCN1CCC(OCC(F)F)CC1 | <BB_585> |
What is the molecular formula for <BB_585>? | The molecular formula for <BB_585> (NCCN1CCC(OCC(F)F)CC1) is C9H18F2N2O. | |
Describe the ring structures in building block <BB_585>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_585>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_585>. | **Token:** <BB_585>
**SMILES:** NCCN1CCC(OCC(F)F)CC1
**Molecular Formula:** C9H18F2N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_586>. | CNCC1COc2ccccc2O1 | |
What is the building block token for the following molecule? | CNCC1COc2ccccc2O1 | <BB_586> |
What is the molecular formula for <BB_586>? | The molecular formula for <BB_586> (CNCC1COc2ccccc2O1) is C10H13NO2. | |
Describe the ring structures in building block <BB_586>. | 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_586>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_586>. | **Token:** <BB_586>
**SMILES:** CNCC1COc2ccccc2O1
**Molecular Formula:** C10H13NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_587>. | O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1 | |
What is the building block token for the following molecule? | O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1 | <BB_587> |
What is the molecular formula for <BB_587>? | The molecular formula for <BB_587> (O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1) is C7H3ClN2O4. | |
Describe the ring structures in building block <BB_587>. | 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_587>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_587>. | **Token:** <BB_587>
**SMILES:** O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1
**Molecular Formula:** C7H3ClN2O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_588>. | Cc1cc(N)cc2cc[nH]c12 | |
What is the building block token for the following molecule? | Cc1cc(N)cc2cc[nH]c12 | <BB_588> |
What is the molecular formula for <BB_588>? | The molecular formula for <BB_588> (Cc1cc(N)cc2cc[nH]c12) is C9H10N2. | |
Describe the ring structures in building block <BB_588>. | 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_588>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_588>. | **Token:** <BB_588>
**SMILES:** Cc1cc(N)cc2cc[nH]c12
**Molecular Formula:** C9H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_589>. | CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N | |
What is the building block token for the following molecule? | CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N | <BB_589> |
What is the molecular formula for <BB_589>? | The molecular formula for <BB_589> (CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N) is C7H17N3O4S. | |
Describe the ring structures in building block <BB_589>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_589>. | The molecule contains the following groups: Carboxylic Acid, Amine, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_589>. | **Token:** <BB_589>
**SMILES:** CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N
**Molecular Formula:** C7H17N3O4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_590>. | O=C(O)c1cc(Br)cc2cc[nH]c12 | |
What is the building block token for the following molecule? | O=C(O)c1cc(Br)cc2cc[nH]c12 | <BB_590> |
What is the molecular formula for <BB_590>? | The molecular formula for <BB_590> (O=C(O)c1cc(Br)cc2cc[nH]c12) is C9H6BrNO2. | |
Describe the ring structures in building block <BB_590>. | 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_590>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_590>. | **Token:** <BB_590>
**SMILES:** O=C(O)c1cc(Br)cc2cc[nH]c12
**Molecular Formula:** C9H6BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_591>. | O=C(O)c1coc2c1C(=O)NCC2 | |
What is the building block token for the following molecule? | O=C(O)c1coc2c1C(=O)NCC2 | <BB_591> |
What is the molecular formula for <BB_591>? | The molecular formula for <BB_591> (O=C(O)c1coc2c1C(=O)NCC2) is C8H7NO4. | |
Describe the ring structures in building block <BB_591>. | 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_591>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_591>. | **Token:** <BB_591>
**SMILES:** O=C(O)c1coc2c1C(=O)NCC2
**Molecular Formula:** C8H7NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_592>. | Nc1c(C(F)(F)F)nc2cnccn12 | |
What is the building block token for the following molecule? | Nc1c(C(F)(F)F)nc2cnccn12 | <BB_592> |
What is the molecular formula for <BB_592>? | The molecular formula for <BB_592> (Nc1c(C(F)(F)F)nc2cnccn12) is C7H5F3N4. | |
Describe the ring structures in building block <BB_592>. | 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_592>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_592>. | **Token:** <BB_592>
**SMILES:** Nc1c(C(F)(F)F)nc2cnccn12
**Molecular Formula:** C7H5F3N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_593>. | NNC(=O)Cc1ccc2ccccc2c1 | |
What is the building block token for the following molecule? | NNC(=O)Cc1ccc2ccccc2c1 | <BB_593> |
What is the molecular formula for <BB_593>? | The molecular formula for <BB_593> (NNC(=O)Cc1ccc2ccccc2c1) is C12H12N2O. | |
Describe the ring structures in building block <BB_593>. | 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_593>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_593>. | **Token:** <BB_593>
**SMILES:** NNC(=O)Cc1ccc2ccccc2c1
**Molecular Formula:** C12H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_594>. | C[C@H]1CNCO1 | |
What is the building block token for the following molecule? | C[C@H]1CNCO1 | <BB_594> |
What is the molecular formula for <BB_594>? | The molecular formula for <BB_594> (C[C@H]1CNCO1) is C4H9NO. | |
Describe the ring structures in building block <BB_594>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_594>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_594>. | **Token:** <BB_594>
**SMILES:** C[C@H]1CNCO1
**Molecular Formula:** C4H9NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_595>. | CNCc1cc(F)c(F)c(F)c1 | |
What is the building block token for the following molecule? | CNCc1cc(F)c(F)c(F)c1 | <BB_595> |
What is the molecular formula for <BB_595>? | The molecular formula for <BB_595> (CNCc1cc(F)c(F)c(F)c1) is C8H8F3N. | |
Describe the ring structures in building block <BB_595>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_595>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_595>. | **Token:** <BB_595>
**SMILES:** CNCc1cc(F)c(F)c(F)c1
**Molecular Formula:** C8H8F3N
**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_596>. | COC(=O)C(C)(N)c1cc(F)ccc1F.Cl | |
What is the building block token for the following molecule? | COC(=O)C(C)(N)c1cc(F)ccc1F.Cl | <BB_596> |
What is the molecular formula for <BB_596>? | The molecular formula for <BB_596> (COC(=O)C(C)(N)c1cc(F)ccc1F.Cl) is C10H12ClF2NO2. | |
Describe the ring structures in building block <BB_596>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_596>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_596>. | **Token:** <BB_596>
**SMILES:** COC(=O)C(C)(N)c1cc(F)ccc1F.Cl
**Molecular Formula:** C10H12ClF2NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_597>. | COc1ccc(Cl)nc1CCl | |
What is the building block token for the following molecule? | COc1ccc(Cl)nc1CCl | <BB_597> |
What is the molecular formula for <BB_597>? | The molecular formula for <BB_597> (COc1ccc(Cl)nc1CCl) is C7H7Cl2NO. | |
Describe the ring structures in building block <BB_597>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_597>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_597>. | **Token:** <BB_597>
**SMILES:** COc1ccc(Cl)nc1CCl
**Molecular Formula:** C7H7Cl2NO
**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_598>. | CC(C)(C#N)c1nnn[nH]1 | |
What is the building block token for the following molecule? | CC(C)(C#N)c1nnn[nH]1 | <BB_598> |
What is the molecular formula for <BB_598>? | The molecular formula for <BB_598> (CC(C)(C#N)c1nnn[nH]1) is C5H7N5. | |
Describe the ring structures in building block <BB_598>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_598>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_598>. | **Token:** <BB_598>
**SMILES:** CC(C)(C#N)c1nnn[nH]1
**Molecular Formula:** C5H7N5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_599>. | CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2 | <BB_599> |
What is the molecular formula for <BB_599>? | The molecular formula for <BB_599> (CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2) is C13H21NO3. | |
Describe the ring structures in building block <BB_599>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_599>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_599>. | **Token:** <BB_599>
**SMILES:** CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2
**Molecular Formula:** C13H21NO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Amide, Ether |
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